(dp0
S'CPD-8633'
p1
S'C3(OC1(=CC(O)=C(C(O)=C1)C(=O)C=CC2(C=C(O)C(O)=CC=2)))(OC(CO)C(O)C(O)C(O)3)'
p2
sS'CPD-3624'
p3
S'CC=CC=CC(=O)[O-]'
p4
sS'CPD-8147'
p5
S'C(CC[N+](=O)[O-])(=O)[O-]'
p6
sS'CPD-8146'
p7
S'CCCCCC[N+](=O)[O-]'
p8
sS'CPD-8141'
p9
S'C3(=CC=C(C1(OC2(C(C(=O)C=1)=CC=C(O)C=2)))C=C3)'
p10
sS'CPD-8140'
p11
S'CCCCC[N+](=O)[O-]'
p12
sS'CPD-3623'
p13
S'C(CCCCC(=O)[O-])CCCC(=O)[O-]'
p14
sS'CPD-8634'
p15
S'C4(OC3(C=C2(OC(=CC1(C=CC(O)=C(O)C=1))C(=O)C2=C(C=3)O)))(OC(CO)C(O)C(O)C(O)4)'
p16
sS'CPD-9230'
p17
S'C(=O)(NC3(C2(N(C(C([O-])=O)=C(C=CC1(C([N+]([O-])=O)=CC([N+](=O)[O-])=CC=1))CS2)C(=O)3)))CC4(SC=CC=4)'
p18
sS'CPD-8149'
p19
S'C([C-][N+](=O)[O-])O'
p20
sS'CPD-3628'
p21
S'C1(OC2(C(O1)=CC(=CC=2)C3(C(=O)C4(=C(OC=3)C=C(C=C4)O))))'
p22
sS'CPD-5483'
p23
S'C2(N=C(C=C(NC(=O)NC1(C=C(C=CC=1)F))C=2)Cl)'
p24
sS'CPD-5482'
p25
S'COC2(C=C(NC(=O)NC1(C=CC=CC=1))C=CN=2)'
p26
sS'CPD-5481'
p27
S'C2(N=C(C=C(NC(=O)NC1(C=CC=CC=1))C=2)Cl)'
p28
sS'CPD-1134'
p29
S'C(O)C(O)CC(=O)C(=O)[O-]'
p30
sS'CPD-5484'
p31
S'CC(=CCC(C1(=NC=NC2(NC=NC1=2)))C)C'
p32
sS'CPD-3621'
p33
S'CC(C(OC)=O)O'
p34
sS'X-PYROPHOSPHATE-GROUP'
p35
S'[O-]P(OP([O-])=O)=O'
p36
sS'NARINGIN'
p37
S'CC5(OC(OC4(C(O)C(O)C(CO)OC(OC1(=CC(O)=C2(C(=O)CC(OC(=C1)2)C3(C=CC(O)=CC=3))))4))C(O)C(O)C(O)5)'
p38
sS'CPD-8636'
p39
S'CC(C=CC1(=CC=C(C=C1)O))=O'
p40
sS'CPD-16680'
p41
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C=O)CCCC34C)))'
p42
sS'PHMB'
p43
S'C1(=CC=C(C=C1)C(=O)[O-])[Hg]O'
p44
sS'9-CIS11-TRANS-OCTADECADIENOATE'
p45
S'CCCCCCC=CC=CCCCCCCCC([O-])=O'
p46
sS'CPD-3622'
p47
S'COC3(C=CC(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC(O)=3)'
p48
sS'ZYMOSTEROL'
p49
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p50
sS'CARBOXYMETHYL-HYDROXYPHENYLPROPCOA'
p51
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p52
sS'CPD-17749'
p53
S'CC2(C(OC1(OCC(O)C(O)C(O)1))C(C(C(O2)O)O)OS([O-])(=O)=O)'
p54
sS'PHYTOENE'
p55
S'CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p56
sS'CGMP'
p57
S'C4(C3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)OP(O4)(=O)[O-]))'
p58
sS'CPD-3629'
p59
S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))=3)4))'
p60
sS'PROTOPORPHYRIN_IX'
p61
S'C=CC1(C(C)=C2(C=C5(C(C)=C(CCC([O-])=O)C(C=C4(C(CCC([O-])=O)=C(C)C(=CC3(C(C=C)=C(C)C(=CC=1N2)N=3))N4))=N5)))'
p62
sS'5-AZAOROTATE'
p63
S'C1(NC(=O)[N-]C(=O)N=1)C(=O)[O-]'
p64
sS'CPD-8148'
p65
S'C1(CC(CC1)[N+](=O)[O-])'
p66
sS'CPD-14880'
p67
S'C4(OP([O-])(=O)OP(OCC1(C(O)C(O)C(O1)N2(C=NC3(C2=NC=[N+](C(N)=3)C5(OC4C(O)C(O)5)))))([O-])=O)'
p68
sS'VERATRALDEHYDE'
p69
S'COC1(=C(OC)C=C(C=C1)[CH]=O)'
p70
sS'RS-TETRAHYDROBENZYLISOQUINOLINE'
p71
S'C3(C=CC(CC1(C2(C(CC[N+]1)=CC=CC=2)))=CC=3)'
p72
sS'CMP-KDO'
p73
S'C(O)C(O)[CH]3(OC(C([O-])=O)(OP(OCC1(C(O)C(O)C(O1)N2(C(N=C(N)C=C2)=O)))([O-])=O)CC(C3O)O)'
p74
sS'CPD-12796'
p75
S'CCN4(C(=NN=C2(N(CC)C1(C=CC(=CC=1S2)S(=O)(=O)[O-])))SC3(C=C(C=CC=34)S(=O)(=O)[O-]))'
p76
sS'PQQ'
p77
S'C2(C(=NC3(C(=O)C(=O)C1(C=C(C(=O)[O-])NC=1C(C=2C(=O)[O-])=3)))C(=O)[O-])'
p78
sS'CPD-12795'
p79
S'C(OS(=O)(=O)[O-])CS(=O)(=O)C1(=CC=C(C=C1)NC2(=CC(S([O-])(=O)=O)=C(N)C3(=C2C(=O)C4(=C(C(=O)3)C=CC=C4))))'
p80
sS'CPD-12792'
p81
S'C6(Cl)(=NC(NC1(=CC=CC(S([O-])(=O)=O)=C1))=NC(NC5(C(S([O-])(=O)=O)=CC=C(NC2(C3(=C(C(N)=C(S([O-])(=O)=O)C=2)C(O)C4(=C(C(O)3)C=CC=C4))))C=5))=N6)'
p82
sS'CPD-17318'
p83
S'CC1(C(O)=C(C)C(O)=C(C(=O)[O-])C(CO)=1)'
p84
sS'CPD-12790'
p85
S'C(OP([O-])(=O)OC1(OCC(O)C(O)C(O)1))C2(OC(C(O)C(O)C(O)2)OC3(C(O)C(CO)OC(O)C(O)3))'
p86
sS'CPD-17315'
p87
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OCC[N+](C)C)([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p88
sS'CPD0-1040'
p89
S'C[N+]1(=CN(C2(N=CNC(=O)C1=2))C3(OC(CO)C(O)C(O)3))'
p90
sS'CPD-17317'
p91
S'CC2(=C1(C(C(=O)OC1)=C(O)C(C)=C(O)2))'
p92
sS'CPD-17316'
p93
S'CC1(C(C(=O)[O-])=C(O)C(C)=C(O)C(C)=1)'
p94
sS'CPD-17311'
p95
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCC1(=C(C)C(C)=C(C)C=C1)'
p96
sS'CPD-17310'
p97
S'CCCCCCCCCCCCCCC=CCCCC(=O)[O-]'
p98
sS'5-FORMYL-THF'
p99
S'C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))[CH]3(CNC2(=C(C(=O)NC(N)=N2)N([CH]=O)3))'
p100
sS'CPD-12799'
p101
S'ClO'
p102
sS'ACRYLYL-COA'
p103
S'C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p104
sS'CPD-10338'
p105
S'CC(C)C1(=C(Br)C(=O)C(C)=C(Br)C(=O)1)'
p106
sS'CPD-10339'
p107
S'C3(N=[N+](C1(C=CC(I)=CC=1))N(C2(C=CC([N+]([O-])=O)=CC=2))N=3)C4(C=CC=CC=4)'
p108
sS'CPD-10336'
p109
S'C=CC2(C(C)=C4(C=C9(C(C)=C(C=CC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p110
sS'CPD-10337'
p111
S'C=CC2(C(C)=C4(C=C9(C(C)=C(C=CC(=O)[O-])C5(=N([Mg]36(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p112
sS'CPD-10334'
p113
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p114
sS'CPD-10332'
p115
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p116
sS'CPD-10333'
p117
S'CC(C(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(C(C(=O)[N-]C(=O)N=1)=CC2(=CC=C(O)C=C23)))'
p118
sS'CPD-10330'
p119
S'C(C1(C(C(C(O1)O)O)O))O'
p120
sS'CPD-16408'
p121
S'CC4(C(CC(C(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)O4)O)=[N+])'
p122
sS'CPD-16958'
p123
S'C(C(C(C(CC3(=CC=C(NCC1(CNC2(=C(N=1)C(NC(=N2)N)=O)))C=C3))O)O)O)OC4(C(O)C(O)C(COP([O-])(=O)[O-])O4)'
p124
sS'CPD-16954'
p125
S'CC2(C(C(C)OP(=O)([O-])OP(=O)([O-])[O-])=NC1(C(=O)NC(N)=NC=1N2))'
p126
sS'CPD-16955'
p127
S'CC(NC2(C=CC(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))=CC=2))C3(C(C)NC4(=C(N=3)C(=O)NC(N)=N4))'
p128
sS'CPD-16956'
p129
S'CC(O)(C)C1(OC2(C(C)(C(O)C1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p130
sS'CPD-16957'
p131
S'C(C(C(C(CC3(=CC=C(NCC1(CNC2(=C(N=1)C(NC(=N2)N)=O)))C=C3))O)O)O)OP([O-])(=O)[O-]'
p132
sS'CPD-16950'
p133
S'COC(=O)CCS'
p134
sS'CPD-16407'
p135
S'CC4(C(=CC(C(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)O4)O)N)'
p136
sS'CPD-16953'
p137
S'CC2(C(C(C)O)=NC1(C(=O)NC(N)=NC=1N2))'
p138
sS'CPD-15442'
p139
S'CC(=CCCC([CH]1([CH]4(C(C)(CC1)C5(C)(CC(OC3(C(OC2(C(O)C(O)C(O)C(C)O2))C(O)C(O)C(CO)O3))[CH]6(C(C(O)CCC(C)([CH](CC(O)4)5)6)(C)C)))))(C)OC7(OC(CO)C(O)C(O)C(O)7))C'
p140
sS'D-SERINE'
p141
S'C(O)C([N+])C([O-])=O'
p142
sS'CPD-4751'
p143
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CCC3)))'
p144
sS'CPD-4752'
p145
S'CC3(C4(CC2(C1(CCCC(C)(C)[CH]1CC[CH]2C=3)C)CC4))'
p146
sS'CPD-4753'
p147
S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CCC2=C3)C)C))C'
p148
sS'CPD-12245'
p149
S'CC(C)CC(C(NC%10(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(C=CC(=C(C=4)Cl)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)OC8(CC(C)(C(C(C)O8)O)[N+])))OC9(=C(Cl)C=C(C=C9)C%10O))))O)=O))=O))=O)=O))=O)[N+]C'
p150
sS'CPD-12247'
p151
S'CC([N+])C(OC(C)C(=O)[O-])=O'
p152
sS'5-METHOXYFURANOCOUMARIN'
p153
S'COC2(C1(=C(OC=C1)C=C3(OC(=O)C=CC=23)))'
p154
sS'CPD-12242'
p155
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(C[N+])=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p156
sS'CPD-12243'
p157
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(C[N+])=O)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p158
sS'CPD-9236'
p159
S'CC2(C)(C(C(=O)[O-])N1(C(C(C1S2)I)=O))'
p160
sS'2-COUMARATE'
p161
S'C(C=CC1(=C(C=CC=C1)O))([O-])=O'
p162
sS'AICAR'
p163
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N2(C=NC(C(=O)N)=C(N)2))'
p164
sS'DISCADENINE'
p165
S'CC(C)=CCNC1(N=CN(C2(=NC=NC=12))CCC([N+])C([O-])=O)'
p166
sS'7-AMINOMETHYL-7-DEAZAGUANINE'
p167
S'C([N+])C2(C1(C(=O)NC(N)=NC=1NC=2))'
p168
sS'CPD-16719'
p169
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CC(O)C3)))'
p170
sS'STERIGMATOCYSTIN'
p171
S'COC5(C=C2(C([CH]1([CH](OC=C1)O2))=C4(OC3(C(=C(C=CC=3)O)C(=O)C4=5))))'
p172
sS'UDP-AAGM-DIAMINOHEPTANEDIOATE'
p173
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C([O-])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP([O-])(OP([O-])(OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))=O)=O)'
p174
sS'CPD-15447'
p175
S'CC(=CCCC([CH]1([CH]2(C(C)(CC1)C3(C)(CC(O)[CH]4(C(C(O)CCC(C)([CH](CC(O)2)3)4)(C)C)))))(C)O)C'
p176
sS'2-HEXAPRENYL-6-METHOXYPHENOL'
p177
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC=CC(OC)=C(O)1)'
p178
sS'CPD-15177'
p179
S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CC[CH]1(C2(CCCC(C)(C)[CH](CC=C1C)2)(C))'
p180
sS'O-PHOSPHO-L-HOMOSERINE'
p181
S'C(COP([O-])(=O)[O-])C([N+])C([O-])=O'
p182
sS'PELARGONIDIN-3-GLUCOSIDE-CMPD'
p183
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))'
p184
sS'CPD-13729'
p185
S'C1(=CC=C(C=C1)C2(OC3(=C(CC2)C=CC=C3)))'
p186
sS'CPD-14142'
p187
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC4(C(OC2(OC(C(C2O)OC3(OC(C[N+])C(O)C(O)C3[N+]))CO))C(C([N+])CC([N+])4)O))'
p188
sS'CPD-14144'
p189
S'C2(=CC=C(O)C(C1(C=CC=CC(O)=1))=C2)'
p190
sS'CPD-14147'
p191
S'CCCC1(C=CC=CC(O)=1)'
p192
sS'CPD-14149'
p193
S'CCCC(=O)C=CC=C(O)C(=O)[O-]'
p194
sS'P-BENZOQUINONE'
p195
S'C1(=CC(=O)C=CC(=O)1)'
p196
sS'CPD0-2283'
p197
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)O[R1])'
p198
sS'CPD-15814'
p199
S'CC5(C(O)C([N+])CC(OC2(C1(C(=C4(C(=C(O)C=1CC(C(=O)C)(O)C2)C(=O)C3(C=CC=CC=3C(=O)4)))O)))O5)'
p200
sS'CPD-15816'
p201
S'C([N+])CCC(C(=O)[O-])[N+]C(C([O-])=O)CCC(=O)[O-]'
p202
sS'PYROGALLOL'
p203
S'C1(C=C(O)C(O)=C(C=1)O)'
p204
sS'CPD-15810'
p205
S'CC1(C(=O)CCC(O)O1)'
p206
sS'CPD-15811'
p207
S'CC1(C(=O)CC(O)C(O)O1)'
p208
sS'CPD-15812'
p209
S'CC1(C(=O)C=CC(O)O1)'
p210
sS'CPD-13117'
p211
S'CCCCCC(=O)OC1(C=CC([N+]([O-])=O)=CC=1)'
p212
sS'CPD-13116'
p213
S'CCOC(CC(C(=O)OCC)SP(OC)(OC)=S)=O'
p214
sS'CPD-13115'
p215
S'CC3(C)(C(C(=O)OCC1(C=CC=C(C=1)OC2(C=CC=CC=2)))C(C=C(Cl)Cl)3)'
p216
sS'CPD-13114'
p217
S'CC1(C)(C(C(=O)[O-])C(C=C(Cl)Cl)1)'
p218
sS'CPD-13113'
p219
S'C1(C=CC(=CC=1)OC2(=CC=CC(CO)=C2))'
p220
sS'CPD-15819'
p221
S'CC4(OC(CC1(C(O)=C2(C(=O)C(=COC(=CC(OC)=1)2)C3(=CC=C(O)C=C(O)3))))4)(C)'
p222
sS'DIOXOPIPERAZINE'
p223
S'C1(NC(CNC1=O)=O)'
p224
sS'CPD0-1024'
p225
S'CC1(CCCOP(OP([O-])(=O)[O-])(=O)[O-])(OC1)'
p226
sS'CPD-17948'
p227
S'C2(=O)(C(N)=C1(SSC=C1N2))'
p228
sS'CPD-14364'
p229
S'CCC(C)C1(C(=CC2(C(C=1O)=C(C3(C(C(C(C(C(C(C(C)O)O)=O)OC)CC(C=2)=3)OC4(CC(C(C(C)O4)O)OC5(CC(C(C(C)O5)OC(C)=O)OC6(CC(C(C(C)O6)O)OC7(CC(C(C(C)O7)O)O)))))=O))O))OC8(CC(C(C(C)O8)O)OC9(CC(C(C(C)O9)O)O)))'
p230
sS'CPD-14367'
p231
S'C(=O)([O-])CCCC1(C=CC=CC=1)'
p232
sS'CPD-14366'
p233
S'CC(=O)CC(=O)C1(O)(C2(=C(C([O-])=C1C(C)=O)C(O)=C3(C(=C2)C(=O)C4(=C(C(=O)3)C(O)=CC([O-])=C4))))'
p234
sS'CPD-14493'
p235
S'C=C(C)C5(CCC4(C(=O)[O-])(CCC3(C)([CH](CC[CH]2(C1([CH](C(C)(C)C(CC1)O)CCC(C)23)(C)))[CH]45)))'
p236
sS'CPD-14360'
p237
S'CC(=O)C1(=C(O)C(O)[CH]2(C(O)(C(=O)1)C(O)=C3(C(=C2)C=C4(C(=C(O)3)C(O)=CC(O)=C4))))'
p238
sS'CPD-18330'
p239
S'C=CC(C)(CCC=C(C)C)C1(=CC=C3(C2(=C1NC=C2CC(CO)NC(C(C(C)C)N(C)3)=O)))'
p240
sS'CPD-18331'
p241
S'C=CC(C)(CCC(O)C(=C)C)C1(=CC=C3(C2(=C1NC=C2CC(CO)NC(C(C(C)C)N(C)3)=O)))'
p242
sS'CPD-17940'
p243
S'CC(=O)NC1(C(=O)NC2(=CSSC=12))'
p244
sS'CPD-17941'
p245
S'[CH](=O)NC1(C(=O)NC2(=CSSC=12))'
p246
sS'CPD-17942'
p247
S'CCCCCC(=O)NC1(C(=O)NC2(=CSSC=12))'
p248
sS'CPD-17943'
p249
S'CC(C)CCCC(=O)NC1(C(=O)NC2(=CSSC=12))'
p250
sS'CPD-17944'
p251
S'CCCCCCCC(=O)NC1(C(=O)NC2(=CSSC=12))'
p252
sS'CPD-17945'
p253
S'CCCCCC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p254
sS'CPD-14499'
p255
S'CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4CO)C)5C)(C)C)O)C))))C'
p256
sS'CPD-14498'
p257
S'CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C=O)C)5C)(C)C)O)C))))C'
p258
sS'CPD-3361'
p259
S'COC1(=C(C=CC(=C1)O)C(C=CC2(C=CC(O)=CC=2))=O)'
p260
sS'N-FORMYLMETHIONINE'
p261
S'CSCCC(N[CH]=O)C(=O)[O-]'
p262
sS'2-CH2-GLUTARATE'
p263
S'C=C(C([O-])=O)CCC(=O)[O-]'
p264
sS'CPD-4461'
p265
S'CC2(C(C1(=CC=CC(=C1C(C=2)=O)O))=O)'
p266
sS'CPD-9987'
p267
S'CC2(OC(C1(C(O)=C(O)C=CC=1))=NC2C(=O)N(CCCNC(C3(C(O)=C(O)C=CC=3))=O)CCCCNC(C4(C(O)=C(O)C=CC=4))=O)'
p268
sS'1-ALKYL-2-ARACHIDONYL-SN-GLYCERO-3-PCHOL'
p269
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COP([O-])(=O)OCC[N+](C)(C)C)CO[R]'
p270
sS'DPG'
p271
S'C(C(O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]'
p272
sS'CPD-8997'
p273
S'C=CC(CCC=C(C)C)(O)C'
p274
sS'CPD-9989'
p275
S'CN2(C(C1(C(O)=CC=CC=1))OCC2C(=O)N(O)CCC3(N=CNC=3))'
p276
sS'CPD-8990'
p277
S'CS(=O)CCC([N+])C(=O)[O-]'
p278
sS'KDO2-PALMITOLEOYL-LIPID-IVA'
p279
S'CCCCCCC=CCCCCCCCC(OC(CCCCCCCCCCC)CC(=O)NC4(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C(C4OC(CC(O)CCCCCCCCCCC)=O)OP([O-])([O-])=O))=O'
p280
sS'CPD-8999'
p281
S'CSCCC(=O)C(=O)COP([O-])(=O)[O-]'
p282
sS'3-BENZOYLOXYPROPYL-GLUCOSINOLATE'
p283
S'C(OC(C1(C=CC=CC=1))=O)CCC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p284
sS'CPD-14083'
p285
S'C1(=C(C(=O)NC(O)=C1)[O-])'
p286
sS'3-HYDROXY-3-METHYL-GLUTARYL-COA'
p287
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C)(O)CC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p288
sS'34-DIHYDROXYPHENYLACETALDEHYDE'
p289
S'C1(=CC(=C(O)C=C1C[CH]=O)O)'
p290
sS'CPD0-2400'
p291
S'CN1(C=C(C[N+])C2(=C1N=C(N)NC(=O)2))'
p292
sS'CPD0-1668'
p293
S'C(O)C2(C(O)C(O)C(O)C(OC1(C=CC=CC=1))O2)'
p294
sS'CPD0-1669'
p295
S'COC1(OC(CO)C(C(O)C(O)1)OC2(OC(CO)C(O)C(O)C(O)2))'
p296
sS'CPD0-1664'
p297
S'C(NC(=[N+])N)C=CC(CF)([N+])C(=O)[O-]'
p298
sS'13-DIBROMOPROPAN-2-ONE'
p299
S'C(C(CBr)=O)Br'
p300
sS'CPD0-1660'
p301
S'C#CC(N)CCCNC(=N)N'
p302
sS'CPD0-1661'
p303
S'C(NC(=N)N)CCC(CF)N'
p304
sS'CPD0-1662'
p305
S'C(NC(=N)N)CCC(CF)(N)C(=O)O'
p306
sS'ALDOSTERONE'
p307
S'CC34([CH]2(C(O)CC1(C=O)([CH](CC[CH](C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p308
sS'CPD-15366'
p309
S'CCCCCCC(O)CC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p310
sS'CPD-15367'
p311
S'CCC=CCCC(O)CC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p312
sS'9-RIBURONOSYLADENINE'
p313
S'C3(=NC2(N(C1(C(O)C(O)C(C([O-])=O)O1))C=NC=2C(=N3)N))'
p314
sS'CPD-15365'
p315
S'CCC=CCCC(O)CC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p316
sS'CPD-15362'
p317
S'CCCCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p318
sS'CPD-12403'
p319
S'CSCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p320
sS'CPD-12400'
p321
S'CSCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p322
sS'CPD-12401'
p323
S'CSCCCCCCCC#N=O'
p324
sS'D-RIBULOSE-15-P2'
p325
S'C(OP([O-])([O-])=O)C(O)C(O)C(=O)COP(=O)([O-])[O-]'
p326
sS'D-TYROSINE'
p327
S'C(C(CC1(C=CC(O)=CC=1))[N+])(=O)[O-]'
p328
sS'CPD-15368'
p329
S'CCCCCCC(O)CC=CCCCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p330
sS'CPD-12409'
p331
S'C1(=CNC4(=C1C(C2(=CC3(=C(N2)C=C(O)C(O)=C3)))=C(O)C(O)=C4))'
p332
sS'DAPHNIN'
p333
S'C2(C=C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)=C3(OC(=O)C=CC=23))'
p334
sS'CPD-9159'
p335
S'CC([CH]=O)C([O-])=CC(C(=O)[O-])=O'
p336
sS'CPD-9158'
p337
S'C1(C=C(C(=CC=1Cl)O)N)'
p338
sS'N-PHOSPHOGUANIDINOETHYL-METHYL-PHOSPHAT'
p339
S'C(COP(=O)([O-])OC)NC(=[N+])NP(=O)([O-])[O-]'
p340
sS'CPD-9151'
p341
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p342
sS'CPD-9150'
p343
S'CC(C(=O)[O-])=CC=C(N)C([O-])=O'
p344
sS'METHYLARSONITE'
p345
S'C[As](O)O'
p346
sS'CPD-9152'
p347
S'C1(C=C(C(=CC=1Cl)O)O)'
p348
sS'CPD-9155'
p349
S'C1(=CC(=CC=C1Cl)N=O)'
p350
sS'VITAMIN_D2'
p351
S'CC(C)C(C)C=CC(C)C3(CCC2(C(=CC=C1(CC(O)CCC(=C)1))CCCC(C)23))'
p352
sS'CPD-9156'
p353
S'C1(=CC(=CC=C1Cl)NO)'
p354
sS'CPD-9487'
p355
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CC(C(C3(C)C(=O)[O-])O)O)C))C))C4C5)C)C(=O)OC6(C(C(C(C(O6)CO)O)O)O))C'
p356
sS'CPD-9486'
p357
S'CC6(CCC5(CCC1(C(=CCC2(C1(CCC3(C2(CC(C(C3(C)C(=O)OC4(C(C(C(C(O4)CO)O)O)O))O)O)C))C))C5C6)C)C(=O)[O-])C'
p358
sS'CPD-9484'
p359
S'CC6(CCC5(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)CO)OC4(C(C(C(C(O4)CO)O)O)O))C))C))C5C6)C)C(=O)[O-])C'
p360
sS'CPD-9483'
p361
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CC(C(C3(C)C(=O)[O-])O)O)C))C))C4C5)C)C(=O)[O-])C'
p362
sS'CPD-9482'
p363
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)=O)C)C)C)(C)CO)O)C))))C'
p364
sS'CPD-9481'
p365
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)CO)O)C))C))C4C5)C)C(=O)[O-])C'
p366
sS'ADENOSINE'
p367
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p368
sS'CPD-9489'
p369
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)O)C)C)C)(C)CO)OC6(C(C(C(C(O6)CO)O)O)O))C))))C'
p370
sS'CPD-9488'
p371
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)CO)O)C))C))C4C5)C)C(=O)OC6(C(C(C(C(O6)CO)O)O)O))C'
p372
sS'GDP-GROUP'
p373
S'C(OP([O-])(=O)OP([O-])(=O)O)C1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3)))'
p374
sS'ESTRONE'
p375
S'CC12([CH](CCC(=O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p376
sS'PAP-MALONYL-COA'
p377
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)OP(=O)([O-])OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))COP(=O)(OP(=O)(OCC4(C(OP([O-])(=O)[O-])C(O)C(O4)N6(C5(=C(C(N)=NC=N5)N=C6))))[O-])[O-]'
p378
sS'CPD-14842'
p379
S'C1(C([N+]([O-])=O)=CC([N+]([O-])=O)=C(S(Cl)(=O)=O)C=1)'
p380
sS'CPD-14206'
p381
S'C3(OC2(C([N+])CC([N+])C(OC1(OCC(O)C([N+]C)C(O)1))C(O)2))(OC(CO)C(O)C(O)C([N+])3)'
p382
sS'DTDP-D-GLUCOSE'
p383
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(O)C(O)C(O)2))O3))'
p384
sS'CPD-9739'
p385
S'C=C1(CC(CC(=O)C(=O)[O-])1)'
p386
sS'CPD-9738'
p387
S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)=O)C1)'
p388
sS'CPD-9735'
p389
S'C=C1(CC(C(C([O-])=O)=O)1)'
p390
sS'CPD-9734'
p391
S'C=C=CC(=O)C(=O)[O-]'
p392
sS'CPD-9737'
p393
S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)O)C1)'
p394
sS'CPD-9736'
p395
S'C=C1(C(C(O)(C(=O)[O-])CC([O-])=O)C1)'
p396
sS'CPD-9731'
p397
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p398
sS'CPD-9730'
p399
S'CC(=CCCC(C)=CCC2(=C(C)C(=O)C1(C=CC=CC=1C(=O)2)))C'
p400
sS'CPD-9733'
p401
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p402
sS'CPD-9732'
p403
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p404
sS'CPD-11960'
p405
S'CC(CCCC(C)CO)CCCC(C)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p406
sS'CPD-18434'
p407
S'CCCCC(C)C(O)C(C)C(=O)C(C)=CC(OC)C(O)C(OCC)C(=O)NC(C([O-])=O)CC1(C=C(Cl)C(O)=CC=1)'
p408
sS'CPD-11962'
p409
S'CC2(=C(C)C1(OC(C)(CCC(=O)O)CCC=1C(C)=C(O)2))'
p410
sS'CPD-13759'
p411
S'CC12(CCC(O)C(C(=O)[O-])[CH](CCC(=O)1)2)'
p412
sS'CPD-13758'
p413
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p414
sS'CPD-18436'
p415
S'C3(N(C=C2(C(=O)S[Ni]1([S+]=C(N)C(C12)=3)))C4(OC(COP([O-])(=O)[O-])C(O)C(O)4))'
p416
sS'CPD-13751'
p417
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=C5(CC[CH]6([CH]7(CCC4(=CC(=O)CCC(C)4[CH](CCC(C)56)7))))'
p418
sS'CPD-13750'
p419
S'CC24(CCC(O)C[CH](CC[CH]3([CH]1(CCC(=O)C(C)1CC[CH]23)))4)'
p420
sS'CPD-13752'
p421
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C6(O)(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p422
sS'CPD-13755'
p423
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p424
sS'CPD-13754'
p425
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p426
sS'CPD-13757'
p427
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p428
sS'DEAMINOHYDROXYBLASTICIDIN-S'
p429
S'C(CC([N+])CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)NC(=O)C=C2)))N(C)C(=[N+])N'
p430
sS'CPD-11967'
p431
S'C1(CCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)N1)'
p432
sS'2-ACETO-LACTATE'
p433
S'CC(=O)C(C)(O)C(=O)[O-]'
p434
sS'CPD-8288'
p435
S'CCC=CCC=CCC=CCCCCCCCC(OC(COP(OCC[N+])([O-])=O)COC(=O)CCCCCCCC=CCCCCCC)=O'
p436
sS'CPD-8289'
p437
S'CCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p438
sS'CPD-108'
p439
S'CC1(C=CC(=CC=1)O)'
p440
sS'CPD-109'
p441
S'CC1(C=CC=CC=1O)'
p442
sS'CPD-106'
p443
S'C(=O)([O-])C(C1(C=CC(=CC=1)O))O'
p444
sS'CPD-107'
p445
S'C[N+]CCCC(=O)C1(=CC=C(O)N=C1)'
p446
sS'CPD-105'
p447
S'C([O-])(=O)C(C1(=CC=C(C=C1)O))O'
p448
sS'CPD-102'
p449
S'C(CCO)CCC(=O)[O-]'
p450
sS'CPD-103'
p451
S'C(C1(C=CC=CC=1))O[CH]=O'
p452
sS'CPD-8284'
p453
S'CCCCCC=CCC=CCCCCCCCC(OC(COP(OCC[N+])([O-])=O)COC(=O)CCCCCCCCCCCCCCC)=O'
p454
sS'CPD-12928'
p455
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C([O-])=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p456
sS'CPD-14794'
p457
S'CC1(OC(O)C(O)C(O)C(NC(C)=O)1)'
p458
sS'3-HEXAPRENYL-45-DIHYDROXYBENZOATE'
p459
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C'
p460
sS'CPD-12797'
p461
S'COC1(=C(O)C(OC)=CC=C1)'
p462
sS'L-TYROSINE-METHYL-ESTER'
p463
S'COC(=O)C(N)CC1(=CC=C(O)C=C1)'
p464
sS'CPD-11450'
p465
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(O)CC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CC(OC2(C(O)C(O)C(O)C(C)O2))C(O)(C)C)C)C'
p466
sS'CPD-11451'
p467
S'CC(C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C)C'
p468
sS'THIAMINE-ALDEHYDE'
p469
S'CC2(=C(CC=O)SC=[N+](CC1(=CN=C(C)N=C(N)1))2)'
p470
sS'2-THIOURIDINE'
p471
S'C1(=CN(C(=S)NC(=O)1)C2(OC(CO)C(O)C(O)2))'
p472
sS'CPD-11456'
p473
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C=CC=C(C=CC2(=CC=C(C)C(C)=C(C)2))C'
p474
sS'CPD-12924'
p475
S'C1(O)(C(C2(C(C(O)C(O)1)O2))O)'
p476
sS'CPD-1102'
p477
S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p478
sS'CPD-17319'
p479
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(CCCCCCCC=CCCCCCCCC)=O'
p480
sS'CPD-1106'
p481
S'C(CP([O-])(O)=O)[N+]'
p482
sS'CPD-1107'
p483
S'C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p484
sS'CPD-1105'
p485
S'C1(C(C(C(C(C1O)O)O)O)O)[N+]'
p486
sS'CPD-17438'
p487
S'CC(C([O-])=O)CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p488
sS'CPD-17439'
p489
S'CC(C([O-])=O)CSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p490
sS'CPD-15606'
p491
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(C=O)12))[CH](CC(O)C(=O)3)4))'
p492
sS'CPD-11449'
p493
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(O)CC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C'
p494
sS'CPD-961'
p495
S'CC(=O)N(O)CCCCC([N+])C(=O)[O-]'
p496
sS'CPD-17430'
p497
S'CC1(C=C(C)C(O)C(=O)C=CC(=O)C23(C(C=CC1)C=C(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)C))'
p498
sS'CPD-17431'
p499
S'CC1(CCC=CC(=O)C23(C(C=CCC(C)C=1)C6(OC(C)(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)6)))'
p500
sS'CPD-17432'
p501
S'CC1(C=C(C)C(O)C(O)C=CC(=O)C23(C(C=CC1)C6(OC(C)(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)6)))'
p502
sS'CPD-17433'
p503
S'CC1(C=C(C)C(O)C(=O)C=CC(=O)C23(C(C=CC1)C6(OC(C)(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)6)))'
p504
sS'CPD-15254'
p505
S'C([N+])C1(C(O)C(O)C(=O)C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C([N+])C(O)3))[N+]))'
p506
sS'CPD-17436'
p507
S'CC=CSCC([N+])C([O-])=O'
p508
sS'CPD-12920'
p509
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(=O)CCC2(CC12CCC(C)34)5))))'
p510
sS'CPD-13328'
p511
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=CC(O)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p512
sS'CPD-17124'
p513
S'CCC(C=C(C=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2))C)C'
p514
sS'CPD-15255'
p515
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OC1(C(O)C(OP([O-])(=O)[O-])C(O)C(O)C(O)1))([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p516
sS'CPD-17122'
p517
S'CCC(C=C(C=CC(=O)C1(C(=O)N([O-])C=C(C([O-])=1)C2(C=CC(O)=CC=2)))C)C'
p518
sS'CPD-17123'
p519
S'CCC(C=C(C=CC(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=CC=2)))C)C'
p520
sS'CPD-8468'
p521
S'CCCCCCCCC=CCC=CCCCCCCCCCCCCCC[CH]=O'
p522
sS'CPD-17314'
p523
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OCC[NH2+]C)([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p524
sS'CPD-8466'
p525
S'CCCCCC=CCC=CCCCCCCCCCCCCCCC[CH]=O'
p526
sS'CPD-8467'
p527
S'CCCCCCCCCCCCCC=CCCCCCCCCCCCCCC[CH]=O'
p528
sS'CPD-13322'
p529
S'CCCC=CC(=O)C'
p530
sS'CPD-13323'
p531
S'CCCCCC=C[CH]=O'
p532
sS'CPD-8462'
p533
S'CCCCCCCCCCCCCCC([O-])=O'
p534
sS'CPD-8463'
p535
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p536
sS'CPD-8461'
p537
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p538
sS'CPD-15250'
p539
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP([O-])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p540
sS'CPD-12571'
p541
S'COC1(C=C(C=C(O)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p542
sS'CPD-7885'
p543
S'CCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p544
sS'CPD-7884'
p545
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p546
sS'CPD-7887'
p547
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p548
sS'CPD-7886'
p549
S'CCCCCCCCCCCCC[CH]=O'
p550
sS'7-METHYLXANTHOSINE'
p551
S'CN2(C1(C(=O)NC(=O)[N-]C=1[N+](=C2)C3(C(O)C(C(CO)O3)O)))'
p552
sS'CPD-7880'
p553
S'CCCCCCCCCCC[CH]=O'
p554
sS'CPD-7883'
p555
S'CCCCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p556
sS'CPD-7882'
p557
S'CCCCCCCCCCCCCCCCCCC[CH]=O'
p558
sS'CPD-11440'
p559
S'CC(CC(O)CC(O)(C(F)(F)F)C(F)(F)F)C1(CCC2(C(C)1CCCC2=CC=C3(C(=C)C(O)CC(O)C3)))'
p560
sS'12-PROPANEDIOL-1-PHOSPHATE'
p561
S'CC(O)COP(=O)([O-])[O-]'
p562
sS'CPD-7888'
p563
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p564
sS'ATABRINE'
p565
S'CC[N+](CCCC(NC2(C3(C([N+]=C1(C=CC(=CC1=2)OC))=CC(=CC=3)Cl)))C)CC'
p566
sS'GLYCOLITHOCHOLATE'
p567
S'CC(CCC(=O)NCC(=O)[O-])[CH]1(CC[CH]2(C1(C)CC[CH]3([CH]2CC[CH]4(C(C)3CCC(O)C4))))'
p568
sS'CYPRIDINA-LUCIFERIN'
p569
S'CCC(C)C1(=NC2(=C(CCCNC(=[N+])N)NC(=CN(C(=O)1)2)C3(=CNC4(C=CC=CC3=4))))'
p570
sS'DIGLUCO-DOCOSANOATE'
p571
S'CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1OC2(OC(C(C(C2O)O)O)CO))O)O)CO)'
p572
sS'CPD-12578'
p573
S'C([N+])COC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C(=O)[O-])[N+]'
p574
sS'CPD-7165'
p575
S'CCCCCC1(=CC(=CC(=C1C([O-])=O)O)O)'
p576
sS'CPD-15259'
p577
S'CC(C)=CC2(N6(C1(C=C(C=CC=1C3(=C([CH](CC(C)(C)OO2)N4(C([CH]5(CCCN(C(=O)C(C3O)4O)5))=O))6))OC)))'
p578
sS'GLYCYLGLYCINE'
p579
S'C([N+])C(=O)NCC([O-])=O'
p580
sS'BESTATIN'
p581
S'CC(CC(NC(C(C(CC1(=CC=CC=C1))[N+])O)=O)C(=O)[O-])C'
p582
sS'N-FORMIMINO-L-GLUTAMATE'
p583
S'[CH](=[N+])NC(C([O-])=O)CCC([O-])=O'
p584
sS'CPD-3713'
p585
S'C(C2(C3(C(C(N1(C(N=C(C=C1)N)=O))O2)OP(=O)([O-])O3)))O'
p586
sS'245-DNOL'
p587
S'C1(C(Cl)C(Cl)=CC(C(Cl)=1)O)'
p588
sS'GLUCOTROPEOLIN'
p589
S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NOS(=O)(=O)[O-])O2)'
p590
sS'GLUTATHIONE-SULFITE'
p591
S'C(SS([O-])(=O)=O)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p592
sS'CPD-10471'
p593
S'C[S+](C)CCC[N+]'
p594
sS'CPD-10470'
p595
S'C[S+](C)CCC(C([O-])=O)O'
p596
sS'CPD-10473'
p597
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC[S+](C)C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p598
sS'CPD-10472'
p599
S'C[S+](C)CCC=O'
p600
sS'CPD-10475'
p601
S'C(OS(=O)(=O)[O-])CS(=O)(=O)C1(C=CC(=CC=1)N=NC4(=C(N)C3(C(O)=C(N=NC2(C=CC(S(CCOS(=O)(=O)[O-])(=O)=O)=CC=2))C(S(=O)(=O)[O-])=CC=3C=C(S([O-])(=O)=O)4)))'
p602
sS'HISTAMINE'
p603
S'C1(=C(NC=N1)CC[N+])'
p604
sS'CPD-10477'
p605
S'C1(=NC2(=C(C(=O)N1)N=CN2C4(C(O)C(O)C(CCC(C3(C=C(C([O-])=O)C=CC=3))=O)O4)))'
p606
sS'CPD-7261'
p607
S'CC(CCCO)C1(CCC2(C(C)1C(O)CC3(C2C(O)CC4(C(C)3CCC(O)C4))))'
p608
sS'CPD-7260'
p609
S'C(C4(OC(OC2(=C(C1(C=CC(O)=CC=1))OC3(=CC([O-])=CC(=C(C2=O)3)O)))C(C(O)C4O)O))O'
p610
sS'S-TUBERCIDINYLHOMOCYSTEINE'
p611
S'C2(=CC1(C(N)=NC=NC=1N2C3(OC(CSCCC([N+])C(=O)[O-])C(O)C(O)3)))'
p612
sS'CPD-7267'
p613
S'C2(OC(OC1(C(O)C(O)C(O)OC1))C(O)C(O)C2O[R])'
p614
sS'CPD-7266'
p615
S'C3(C(O[R])C(O)C(O)C(OC2(C(O)C(O)C(OC1(C(O)C(O)C(O)OC1))OC2))O3)'
p616
sS'CPD-7268'
p617
S'C(C1(=CC=CC=C1))NC=O'
p618
sS'S-CARBOXYMETHYL-D-CYSTEINE'
p619
S'C(C([O-])=O)SCC([N+])C(=O)[O-]'
p620
sS'CPD-18831'
p621
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(=O)CCC(C)4[CH](CCC(C)56)7))))'
p622
sS'CPD-18830'
p623
S'CC([CH]3(CC[CH]4([CH]2(C(O)C[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p624
sS'CPD-18833'
p625
S'CC(C)(C1(C=CC(O)=CC=1))C2(=CC=C(O)C=C2)'
p626
sS'CPD-18832'
p627
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)CC4(=CC(=O)CCC(C)4[CH](CCC(C)56)7))))'
p628
sS'CPD-18835'
p629
S'C(F)(F)(F)C(C(F)(F)F)(C1(C=CC(O)=CC=1))C2(=CC=C(O)C=C2)'
p630
sS'CPD-18834'
p631
S'CCC(C)(C1(C=CC(O)=CC=1))C2(=CC=C(O)C=C2)'
p632
sS'CPD-18837'
p633
S'CC(=CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p634
sS'CPD-11879'
p635
S'C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O'
p636
sS'CPD-11876'
p637
S'COC1(=C(O)C=CC(C(O)C=O)=C1)'
p638
sS'CPD-11877'
p639
S'C[N+]CC(O)C1(C=CC(O)=C(OC)C=1)'
p640
sS'CPD-18529'
p641
S'CC(=O)OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(OC2CO)O)O)O))'
p642
sS'CPD-11875'
p643
S'COC1(=C(O)C=CC(C(O)C[N+])=C1)'
p644
sS'CPD-11872'
p645
S'COC1(=CC=CC=C1OC(CO)C(=O)C2(C=C(OC)C(O)=CC=2))'
p646
sS'CPD-11873'
p647
S'COC1(C(O)=CC=C(C(=O)CCO)C=1)'
p648
sS'CPD-8135'
p649
S'CC(C)C(C)C=CC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p650
sS'CPD-14803'
p651
S'C=CC(C)=CCC1(C2(CCCC(C)(C)[CH](CCC(O)(C)1)2)C)'
p652
sS'CPD-15172'
p653
S'C1(C=CC(=CC=1)C2(=CC(=O)C3(C(O2)=CC(=O)C(=O)C(O)=3)))'
p654
sS'CPD-15171'
p655
S'C1(NC=NC=1CCC([O-])=O)'
p656
sS'PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE'
p657
S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC(C([O-])=O)=C(N)1))O2)'
p658
sS'CPD-17133'
p659
S'CCC(C)C=CC=CC=CC(=O)C1(C(=O)N([O-])C=C(C([O-])=1)C2(C=CC(O)=CC=2))'
p660
sS'CPD-15175'
p661
S'COC4(=C2(C(C(=O)C=C(C1(C=CC=CC=1))O2)=C(O)C=C(OC3(C(C(C(O)C(O3)CO)O)O))4))'
p662
sS'CPD-709'
p663
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p664
sS'2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE'
p665
S'CC(C)C(C([O-])=O)C(C([O-])=O)O'
p666
sS'CPD-15179'
p667
S'CC(C)C(O)CCC(C)CC([O-])=O'
p668
sS'CPD-15178'
p669
S'C1([N+]C(C(=O)[O-])CC(O)1)'
p670
sS'CPD-1786'
p671
S'C1(C=C(Cl)C=CC=1CC([O-])=O)'
p672
sS'CPD-16599'
p673
S'CC2(C=O)(C(OC(=O)C1(C=CC=CC=1))CC4(C)([CH](C2)C35(OC3C[CH]6(C(C)(C(C)(CC(O)4)5)CC[CH]%10(C(C)6CCC(OC9(OCC(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(CO)C(O)C(O)C(O)8))9))C(CO)(C)%10)))))'
p674
sS'CALCITRIOL'
p675
S'CC(CCCC(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p676
sS'CPD-18603'
p677
S'CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p678
sS'CPD-16500'
p679
S'[Fe](=O)O'
p680
sS'D-GALACTOSYL-13-BETA-D-GALACTOSYL-14-B'
p681
S'C(O)C3(OC(OC2(C(O)C(CO)OC(OC1(C(O)C(O)C(O[R])OC(CO)1))C(O)2))C(O)C(O)C(O)3)'
p682
sS'CPD-9908'
p683
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p684
sS'CPD-19089'
p685
S'CCC(O)(C)[CH]=O'
p686
sS'CPD-9903'
p687
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C'
p688
sS'N-BENZOYL-D-ARGININE-4-NITROANILIDE'
p689
S'C(CCC(NC(=O)C1(C=CC=CC=1))C(=O)NC2(=CC=C(C=C2)[N+]([O-])=O))NC(=[N+])N'
p690
sS'CPD-9906'
p691
S'CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p692
sS'CPD-9907'
p693
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C)CCCC34C)))'
p694
sS'CPD-9904'
p695
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C'
p696
sS'CPD-9905'
p697
S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)O)C))C'
p698
sS'ARGININE-METHYL-ESTER'
p699
S'COC(C(CCCNC(N)=[N+])N)=O'
p700
sS'CPD-18786'
p701
S'C(O)C1(C(O)C(O)C(O)C(OP([O-])([O-])=O)C=1)'
p702
sS'CPD-18785'
p703
S'C(O)C1(O)(CC(=O)C(O)=C(O)C(O)1)'
p704
sS'CPD-18784'
p705
S'CC(C([O-])=O)N=C1(C(OC)=C(NCC([O-])=O)CC(CO)(O)C1)'
p706
sS'CPD-18783'
p707
S'CC(O)C(C([O-])=O)N=C1(C(OC)=C(NCC([O-])=O)CC(CO)(O)C1)'
p708
sS'CPD-18782'
p709
S'COC1(=C(NC(CO)CO)CC(CO)(O)CC(=O)1)'
p710
sS'CPD0-2184'
p711
S'C([O-])(=O)C=CC(=O)C=CC=C(C([O-])=O)O'
p712
sS'CPD-4862'
p713
S'CC(C(C(=O)[O-])NO)C'
p714
sS'2-IODOPHENOL-METHYL-ETHER'
p715
S'COC1(C=CC=CC(I)=1)'
p716
sS'CPD-3402'
p717
S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p718
sS'CPD-9203'
p719
S'CC5(C(CC3(C(C(C(C(C2(C(C1(C(OC1)CC2O)(OC(=O)C))C3OC(C4(C=CC=CC=4))=O)C)=O)OC(=O)C)=5)(C)C)O)OC(C(C([N+])C6(C=CC=CC=6))O)=O)'
p720
sS'CPD-18789'
p721
S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)COP([O-])(=O)[O-])O)O)O))O)O)O))O'
p722
sS'CPD-18788'
p723
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C([N+])C1)'
p724
sS'AMINOMALONATE'
p725
S'C([N+])(C(=O)[O-])C(=O)[O-]'
p726
sS'CPD-16508'
p727
S'C([O-])(=O)C([N+])C1(=CC=C(O)C=C1)'
p728
sS'CPD-63'
p729
S'COC1(=CC(=CC(=C1OC2(C(C(C(C(O2)CO)O)O)O))OC)C=CCO)'
p730
sS'CPD-18384'
p731
S'CC1(CCC(C)(C(O)C=1)C3(C)(CC(O)C(O)C2(OC2)3))'
p732
sS'BILIVERDINE'
p733
S'C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC(=O)[O-])=C(C=C2(C(CCC(=O)[O-])=C(C)C(=N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)'
p734
sS'CPD-1789'
p735
S'C(O)C1(C(O)=C(O)C(=O)O1)'
p736
sS'CPD-7672'
p737
S'CSCCC([O-])=O'
p738
sS'CPD-7673'
p739
S'C(CC([O-])=O)S'
p740
sS'CPD-7670'
p741
S'CSC'
p742
sS'CPD-7671'
p743
S'CS'
p744
sS'CPD-7676'
p745
S'CI'
p746
sS'CPD-19081'
p747
S'CCC(O)C'
p748
sS'UDP-GROUP'
p749
S'C(OP(=O)([O-])OP(=O)(O)[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p750
sS'QUINOLIN-2-OL'
p751
S'C1(O)(=NC2(=C(C=C1)C=CC=C2))'
p752
sS'THIDIAZURON'
p753
S'C1(N=NSC=1NC(=O)NC2(C=CC=CC=2))'
p754
sS'2-OCTAPRENYL-6-HYDROXYPHENOL'
p755
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C)C)C'
p756
sS'CPD-7678'
p757
S'CC(CS)O'
p758
sS'CPD-7679'
p759
S'C[N+](C)(C)C'
p760
sS'CPD-12249'
p761
S'CC([N+])C(=O)NC(CO)C([O-])=O'
p762
sS'ERGOSTEROL'
p763
S'CC(C)C(C)C=CC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p764
sS'CPD-14778'
p765
S'CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COP([O-])(=O)[O-])CO'
p766
sS'CPD-11529'
p767
S'CCC=CCC4(C(=O)CCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p768
sS'CPD-14772'
p769
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p770
sS'5-AMINO-5-DEOXY-D-GALACTOPYRANOSIDE'
p771
S'C(C1(C(C(C(C([N+]1)O)O)O)O))O'
p772
sS'CPD-14776'
p773
S'C(OP([O-])(=O)[O-])C(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-])CO'
p774
sS'DIPROPYLETHER'
p775
S'CCCOCCC'
p776
sS'CPD-14775'
p777
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p778
sS'CPD0-2360'
p779
S'CC(C)C1(=CC=CC=C1)'
p780
sS'ACTINOMYCIN-D'
p781
S'CC(C)C1(C(=O)N7([CH](C(N(C)CC(N(C(C(C)C)C(=O)OC(C)C(C(N1)=O)NC(=O)C6(C=CC(C)=C2(C(N=C5(C(O2)=C(C)C(=O)C(N)=C(C(=O)NC4(C(OC(C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]3(CCCN3C(C(C(C)C)NC(=O)4)=O))=O)C))5))=6)))C)=O)=O)CCC7))'
p782
sS'CPD0-2363'
p783
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=C1(CC=CC=CO1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p784
sS'CPD0-2364'
p785
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(CC=CCC([O-])=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p786
sS'CPD0-2367'
p787
S'C1(=C(C(NC(N1C2(C(C(C(CO)O2)O)O))=O)=O)F)'
p788
sS'PHOSPHORYL-CHOLINE'
p789
S'C[N+](CCOP([O-])([O-])=O)(C)C'
p790
sS'CPD-12616'
p791
S'CC(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)C'
p792
sS'CPDQT-27'
p793
S'CSCCCCC(=O)C([O-])=O'
p794
sS'CPDQT-26'
p795
S'CC5(OC(OC4(=CC2(=C(C(=O)C(=C(C1(=CC(O)=C(O)C=C1))O2)OC3(OC(C(C(C3O)O)O)C))C(=C4)[O-])))C(C(C5O)O)O)'
p796
sS'CPD-12988'
p797
S'C([O-])(=O)C1(C2(NC3(C=CC=C(C(NC(C=CC=1)=2)=3)C(=O)[O-])))'
p798
sS'12-DIHYDROXYDIBENZOTHIOPHENE'
p799
S'C2(C=CC3(SC1(=CC=C(O)C(O)=C1C(C=2)=3)))'
p800
sS'ERYTHROSE-4P'
p801
S'[CH](C(C(COP([O-])([O-])=O)O)O)=O'
p802
sS'CPDQT-29'
p803
S'CSCCCCCCC(=O)C([O-])=O'
p804
sS'CPDQT-28'
p805
S'CSCCCCCC(=O)C([O-])=O'
p806
sS'CPD-13922'
p807
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C=O)C))C'
p808
sS'CPD-13923'
p809
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C([O-])=O)C))C'
p810
sS'CPD-13920'
p811
S'CC4(C3(CC[CH]2(C1(CC(O)CC([CH]1CCC2(C3)C=4)(C)C)C)))'
p812
sS'CPD-13921'
p813
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)CO)C))C'
p814
sS'CPD-13926'
p815
S'C=C1(C(CC(O)C2(C)(C(C(C3(=C(C)C(CC(CC12)C(C)(C)3)OC(C)=O))OC(C)=O)OC(C)=O))OC(C)=O)'
p816
sS'CPD-13927'
p817
S'CC(=CNC(N)=O)C(=O)OO'
p818
sS'CPD-13924'
p819
S'C=CC1(C(C)[CH]2([CH](C(O)C=1)C3(C)([CH](CC2)C(C)(C)CCC3)))'
p820
sS'CPD-13925'
p821
S'C=C1(C(CCC2(C)(C(C(C3(=C(C)C(CC(CC12)C(C)(C)3)OC(C)=O))OC(C)=O)OC(C)=O))OC(C)=O)'
p822
sS'CPD-13928'
p823
S'C4(CCCC3(C1(CC(C2(CCCC(N(C1)2)=O))C(O)[N+]34)))'
p824
sS'CPD-13929'
p825
S'CC(=CCO)CC[CH]1(C2(CCCC(C)(C)[CH](CC=C1C)2)(C))'
p826
sS'CPD-14363'
p827
S'CC(C)C(=O)OC8(C(C)(O)CC(OC7(C(C(OC(OC6(C(O)C(C)OC(OC1([CH](C(OC)C(=O)C(O)C(C)O)CC2(=C(C(=O)1)C(O)=C5(C(=C2)C=C(OC3(CC(C(C(C)O3)OC(=O)C)OC4(CC(C(OC)C(O4)C)O)))C=C(O)5))))C6))C7)C)O))OC(C)8)'
p828
sS'CPD-7893'
p829
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p830
sS'INDOLE_ACETALDEHYDE'
p831
S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p832
sS'CPD-11525'
p833
S'CCC=CCC4(C(=O)CCC(CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])4)'
p834
sS'1-2-DIPALMITOYLPHOSPHATIDYLCHOLINE'
p835
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O'
p836
sS'XANTHOAPHIN'
p837
S'CC9(OC(C)C8(OC6(O)(CC(=O)C4(=C(O)C2(=C1(C5(=C3(C7(=C(C(=O)CC(O)(OC1C(C)OC(C)2)3)C(O)=C(C(=C(C(=C45)6)7)8)9)))))))))'
p838
sS'CPD-3193'
p839
S'C1(N=CC=CC=1C(O)CCC(=O)[O-])'
p840
sS'CPD-3191'
p841
S'C1(N=CC=CC=1C(=O)CCC(=O)NC)'
p842
sS'CPD-3190'
p843
S'C1(N=CC=CC=1C(=O)CCC(N)=O)'
p844
sS'CPD-3195'
p845
S'C1(N=CC=CC=1C2(CCC(=O)O2))'
p846
sS'CPD-3194'
p847
S'C1(N=CC=CC(C=CCC(=O)[O-])=1)'
p848
sS'CPD-13698'
p849
S'CC(C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p850
sS'CPD-13699'
p851
S'CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p852
sS'CPD-14362'
p853
S'CC8(=C(O)C5(C(=CC4(=C(C(=O)C(OC3(CC(OC1(CC(C(C(O1)C)O)OC2(CC(C)(O)C(OC(=O)C)C(C)O2)))C(O)C(C)O3))[CH](C(OC)C(=O)C(O)C(C)O)C4)C(O)=5))C=C(OC6(CC(C(C(C)O6)OC(=O)C)OC7(CC(C(OC)C(O7)C)O)))8))'
p854
sS'FAD-STEM-GROUP'
p855
S'C(OP(=O)(OP([O-])(=O)OCC3(OC(N2(C1(N=CN=C(N)C=1N=C2)))C(C(O)3)O))[O-])C(O)C(O)C(O)C[N+]'
p856
sS'CPD-13692'
p857
S'CC(CCC=C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p858
sS'CPD-13694'
p859
S'CC(CCC(O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p860
sS'CPD-13695'
p861
S'CC(CCC(=O)C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p862
sS'CPD-13696'
p863
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p864
sS'CPD-13697'
p865
S'CC(C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p866
sS'CPD-11209'
p867
S'C1(OCCN(C1)P(=O)([O-])OCC4(C(C(C(N3(C=NC2(C(=O)NC(N)=NC=23)))O4)O)O))'
p868
sS'CPD-7898'
p869
S'CCCCCCCCCCCCCC(=O)C'
p870
sS'CPD-1077'
p871
S'CC34(CCC2(C1(=CC=C(C=C1C(CC2C3CCC4O)O)O)))'
p872
sS'CPD-19079'
p873
S'CC(C)CC4(=CC=C(C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C=C4)'
p874
sS'VITEXIN-2-O-BETA-D-GLUCOSIDE'
p875
S'C(C4(C(C(C(C(C1(=C(C=C(C2(=C1OC(=CC2=O)C3(C=CC(=CC=3)O)))O)[O-]))O4)OC5(C(C(C(C(O5)CO)O)O)O))O)O))O'
p876
sS'CPD-19077'
p877
S'CCCCCCCCCCCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p878
sS'CPD-19074'
p879
S'CC(CCCC(C(=O)[O-])C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p880
sS'CPD-19075'
p881
S'CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p882
sS'O-SINAPOYLCHOLINE'
p883
S'C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](C)(C)C'
p884
sS'ACENAPHTHENEQUINONE'
p885
S'C2(=CC1(C=CC=C3(C=1C(=C2)C(C3=O)=O)))'
p886
sS'QUERCITRIN'
p887
S'CC4(C(O)C(C(O)C(OC2(C(=O)C3(C(=CC([O-])=CC(OC(C1(C=CC(O)=C(O)C=1))=2)=3)O)))O4)O)'
p888
sS'CPD1F-129'
p889
S'CC(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C)C'
p890
sS'CPD1F-128'
p891
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C)CCCC(C)2[CH]3CC4))))'
p892
sS'CPD1F-126'
p893
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)C)C)C)C)C'
p894
sS'ADENINE-RING'
p895
S'C1(=NC2(C(N1)=C(N=CN=2)N))'
p896
sS'CPD-12404'
p897
S'C(#N=O)CCCCCCCCSC'
p898
sS'CPD-18608'
p899
S'CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p900
sS'CPD-7557'
p901
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)=C)C))'
p902
sS'CPD0-1149'
p903
S'CCN(CC)C1(C=CC(=CC=1)N=NC2(C=CC=CC(C(=O)[O-])=2))'
p904
sS'2-BROMOPORPHOBILINOGEN'
p905
S'C(C1(=C(CC(=O)[O-])C(CCC(=O)[O-])=C(N1)Br))[N+]'
p906
sS'3-AMINO-6-ACETAMIDOHEXANOATE'
p907
S'CC(=O)NCCCC([N+])CC(=O)[O-]'
p908
sS'4-HYDROXYCYCLOHEXANECARBOXYLATE'
p909
S'C1(CC(O)CCC1C(=O)[O-])'
p910
sS'2-UNDECANONE'
p911
S'CCCCCCCCCC(=O)C'
p912
sS'TRICHLOROETHENE'
p913
S'C(=C(Cl)Cl)Cl'
p914
sS'D-GLT'
p915
S'C(CCC(C(=O)[O-])[N+])([O-])=O'
p916
sS'MEVALDATE'
p917
S'CC(O)(CC([O-])=O)CC=O'
p918
sS'CPD-354'
p919
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)C(O)C(O)4)'
p920
sS'CPD-359'
p921
S'CC(O)C(NC(CCCCCCS)=O)C(=O)[O-]'
p922
sS'CPD-18609'
p923
S'CCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p924
sS'CPD0-1294'
p925
S'CC1(N=N1)CCSC3(C(O)C2(OC2C=C3))'
p926
sS'CPD-12402'
p927
S'CSCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p928
sS'14-DICHLOROBENZENE'
p929
S'C1(C=C(C=CC=1Cl)Cl)'
p930
sS'CPD-14369'
p931
S'CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(O)C(=O)C)CC=6C=7))C(O)=8))'
p932
sS'CREATININE'
p933
S'CN1(CC(=O)NC(=N)1)'
p934
sS'CPD0-1512'
p935
S'CC(=O)NC1(C(=O)OC(CO)C(O)C(O)1)'
p936
sS'ALPHA-NAPHTHYL-ACETATE'
p937
S'CC(OC1(=CC=CC2(C=CC=CC1=2)))=O'
p938
sS'CPD-8619'
p939
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C([O-])=O)C(O)CC3)))CC4)))C'
p940
sS'CPD-8618'
p941
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O)C(O)CC3)))CC4)))C'
p942
sS'CPD-17331'
p943
S'CCC=CCC=CCC=CCC=CCC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p944
sS'CPD-17330'
p945
S'CCC=CCC=CCC=CCC=CCC=CCCCCCCCC([O-])=O'
p946
sS'CPD-17337'
p947
S'CC6(OC(=O)C=CC4(C)([CH](CCC35(CC2(C)(C(=O)[CH]1(C(COC(=O)1)(C(C)(C(=O)2)C[CH]34)5))))6))(C)'
p948
sS'CPD-7559'
p949
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C([O-])=O)C)C))'
p950
sS'CPD-14368'
p951
S'C([O-])(=O)CCCCC1(C=CC=CC=1)'
p952
sS'CPD-17334'
p953
S'CC2(C(=O)C1(=C(COC(=O)1)C3(C)(C=2OC4(C)([CH](C3)C5(C)([CH](CC4)C(C)(C)C(=O)CC5)))))'
p954
sS'CPD-8611'
p955
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C'
p956
sS'CPD-8610'
p957
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p958
sS'CPD-8613'
p959
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C([O-])=O)C(O)CC3)))CC4)))C'
p960
sS'CPD-17338'
p961
S'CN2(C(=O)C1(N(C=CC=1)C=C(CCCNC(=[N+])N)2))'
p962
sS'CPD-8614'
p963
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C'
p964
sS'CPD-8617'
p965
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(CO)C(O)CC3)))CC4)))C'
p966
sS'CPD-10642'
p967
S'CC(C)=CCCC([CH]1(CCC4([CH]1CC[CH]3(C2([CH](C(C)(C)CCC2)CCC34C)(C)))(C)))=C'
p968
sS'CPD-10643'
p969
S'CC(=CC([O-])=O)C=C(Cl)C([O-])=O'
p970
sS'CPD-10640'
p971
S'C=C1(C=CC(=O)O1)'
p972
sS'CPD-10641'
p973
S'C(=O)(O)CC(=O)C(Cl)=C(Cl)C(=O)O'
p974
sS'CPD-10646'
p975
S'CC(=CC(Cl)=CC([O-])=O)C([O-])=O'
p976
sS'CPD-10644'
p977
S'CC1(CC(=O)[O-])(C=C(Cl)C(=O)O1)'
p978
sS'CPD-10645'
p979
S'CC1(=CC(=O)OC(C(Cl)C(=O)[O-])1)'
p980
sS'NACMUR'
p981
S'CC(C(=O)[O-])OC1(C(O)C(OC(O)C(NC(=O)C)1)CO)'
p982
sS'CPD-10648'
p983
S'CC1(C=C(Cl)C(=CC=1)OCC(=O)[O-])'
p984
sS'CPD-10649'
p985
S'CC1(C=C(C(O)=CC=1)Cl)'
p986
sS'CPD-10318'
p987
S'C(OC(CC([O-])=O)=O)C4(OC(OC1(C=C(O)C2(C(=O)C=C(OC(C=1)=2)C3(=CC=C(O)C=C3))))C(O)C(O)C(O)4)'
p988
sS'CPD-16421'
p989
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(OC)C(C)(N(=O)=O)C3)))'
p990
sS'CPD-16422'
p991
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(NC(=O)OC)C(C)(N(=O)=O)C3)))'
p992
sS'LEUKOTRIENE-C4'
p993
S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O'
p994
sS'CPD-16424'
p995
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C(C)([N+])C3)))'
p996
sS'CPD-16426'
p997
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(OC)C(C)(NO)C3)))'
p998
sS'CPD-16428'
p999
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(OC)C(C)(N=O)C3)))'
p1000
sS'CPD-16429'
p1001
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(C)(N(=O)=O)C3)))'
p1002
sS'SEPO3'
p1003
S'[O-]P([O-])(O)=[Se]'
p1004
sS'CUPRIZONE'
p1005
S'C1(CCC(CC1)=NNC(=O)C(=O)NN=C2(CCCCC2))'
p1006
sS'OH-HEXANOYL-COA'
p1007
S'CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O'
p1008
sS'CPD-9067'
p1009
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p1010
sS'17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-'
p1011
S'CC(O)C1(O)(CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p1012
sS'BENZYL-ISOTHIOCYANATE'
p1013
S'C(C1(C=CC=CC=1))N=C=S'
p1014
sS'CPD-4615'
p1015
S'CC(CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO'
p1016
sS'CPD-4617'
p1017
S'CC(CCNC1(C2(=C(N=CN=1)NC=N2)))COC3(C(C(C(C(O3)CO)O)O)O)'
p1018
sS'CPD-4616'
p1019
S'CC(CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))CO'
p1020
sS'CPD-4611'
p1021
S'C(C1(OC(C(C(C1O)O)O)N3(C2(N=CN=C(C=2N=C3)NCC4(=CC=CO4)))))O'
p1022
sS'CPD-4610'
p1023
S'C(C1(OC(C(C(C1O)O)O)N2(C3(C(=NC=NC(N=C2)=3)NCC4(=CC=CO4)))))O'
p1024
sS'CPD-4619'
p1025
S'CC(=CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))CO'
p1026
sS'CPD-4618'
p1027
S'CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO'
p1028
sS'2-METHYLPROPANAL-OXIME'
p1029
S'CC(C)[CH]=NO'
p1030
sS'CPD-17599'
p1031
S'COC4(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C4OC)'
p1032
sS'CPD-17598'
p1033
S'C5(C(CC2(=CC1(=C(OCO1)C=C2)))C(CC4(=CC=C3(C(OCO3)=C4)))C(O5)=O)'
p1034
sS'CPD-17597'
p1035
S'COC4(C(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)O)'
p1036
sS'CPD-17595'
p1037
S'COC4(C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C(C=4OC)OC)'
p1038
sS'CPD-17594'
p1039
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)OC))C(OC3)=O))'
p1040
sS'CPD-17593'
p1041
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)O))C(OC3)=O))'
p1042
sS'CPD-17592'
p1043
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(O)=C(C(=C2)OC)O))C(OC3)=O))'
p1044
sS'236-TRICHLOROHYDROQUINONE'
p1045
S'C1(C(Cl)=C([O-])C(Cl)=C(Cl)C=1O)'
p1046
sS'RICININE'
p1047
S'CN1(C=CC(OC)=C(C#N)C(=O)1)'
p1048
sS'TDP'
p1049
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])OP(=O)([O-])[O-])O2))'
p1050
sS'5-HYDROXY-CONIFERYL-ALCOHOL'
p1051
S'COC1(=C(C(=CC(C=CCO)=C1)O)O)'
p1052
sS'CPD-10802'
p1053
S'CCCCCCCCCC(=O)CC(=O)NC(CCO)C(=O)[O-]'
p1054
sS'1-CARBOXYCYCLOHEXANOYL-COA'
p1055
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCC(C([O-])=O)CC1))COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p1056
sS'CPD-14167'
p1057
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC4(C(OC2(OC(C(C2O)OC3(OC(C=O)C(O)C(O)C3[N+]))CO))C(C([N+])CC([N+])4)O))'
p1058
sS'CPD-11994'
p1059
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)[O-]'
p1060
sS'CPD-11997'
p1061
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC1(OC(CO)C(O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)[O-])C(NC(C)=O)1))C)C)C)C)C)C'
p1062
sS'CPD-14164'
p1063
S'C2(C=C(C1(C=CC=C(O)C=1O))C(O)=C(C=2)O)'
p1064
sS'CPD-11991'
p1065
S'[Pt++]'
p1066
sS'CPD-11990'
p1067
S'CC(C)=CCCC(C)=CCCC(=CCOP(OP([O-])(=O)[O-])(=O)[O-])C'
p1068
sS'CPD-14161'
p1069
S'C([N+])C1(CCC(C(O1)OC2(C(C(C([N+])CC([N+])2)OC3(OC(C(C(C(O)3)[N+])O)CO))O))[N+])'
p1070
sS'CPD-14160'
p1071
S'C(O)C1(C(O)CC([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(COC(=O)N)C(O)C([N+])C(O)3))[N+]))'
p1072
sS'5734-TETRAHYDROXYFLAVONE'
p1073
S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p1074
sS'CPD-11999'
p1075
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC8(OC(CO)C(OC7(OC(CO)C(OC6(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])NC(=O)C([N+])CCCC(C(NC(C)C([O-])=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC5(C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(CO)OC(OC3(C(CO)OC(C(NC(=O)C)C(O)3)OC4(C(CO)OC(O)C(NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C([O-])=O)=O)C(=O)[O-])4)))C(NC(C)=O)5))C(=O)[O-])C(NC(C)C([O-])=O)=O)C(=O)[O-])C(NC(C)=O)6))C(O)C(NC(=O)C)7))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C([O-])=O)=O)C(=O)[O-])C(NC(C)=O)8))C)C)C)C)C)C'
p1076
sS'CPD-11998'
p1077
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)[O-])C(NC(C)=O)2))C)C)C)C)C)C'
p1078
sS'CPD-14169'
p1079
S'C2(=CC=C(C1(C=C(O)C=CC(O)=1))C=C2)'
p1080
sS'CPD-14168'
p1081
S'CC(=O)NC1(C(OC(CO)C(O)C(O)1)OC4(C(C(OC3(C(C([N+])CC([N+])C(OC2(OC(C[N+])C(O)C(O)C([N+])2))3)O))OC4CO)O))'
p1082
sS'PROPIONYL-COA'
p1083
S'CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1084
sS'CPD-13175'
p1085
S'C(C1(O)(C(=O)CCC=C1))(OCC2(C=CC=CC=2))=O'
p1086
sS'CPD-13174'
p1087
S'C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O'
p1088
sS'CPD-13171'
p1089
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p1090
sS'CPD-13173'
p1091
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(=CC=CC=2)COC(C3(O)(C(=O)CCC=C3))=O))'
p1092
sS'CPD-13172'
p1093
S'C(=O)(C1(O)(C=CCCC(=O)1))[O-]'
p1094
sS'CPD-13179'
p1095
S'CC24(CCC(O)C[CH](CC[CH]1([CH]3(CCC(O)C(C)(CC[CH]12)3)))4)'
p1096
sS'DIMETHYLAMINE'
p1097
S'C[N+]C'
p1098
sS'CPD-14349'
p1099
S'CC7(C(O)=CC6(C(=C(O)C5(C(=O)C4(OC3(CC(OC2(CC(OC1(CC(O)(C)C(O)C(C)O1))C(O)C(C)O2))C(O)C(C)O3))(C(C(C(=O)C)=C(O)C(OC)[CH]4CC=5C=6)=O)))C(O)=7))'
p1100
sS'CPD-18649'
p1101
S'COC(CCC(C(=O)[O-])[N+])=O'
p1102
sS'CPD-18319'
p1103
S'C(NC(=O)C1(OC(C(=O)N)1))C([N+])C(=O)[O-]'
p1104
sS'CPD-14343'
p1105
S'C(=O)([O-])C(=O)C=C1(C=CC(=O)O1)'
p1106
sS'CPD-14342'
p1107
S'CC2(=C[CH]3(C(C)(C)[CH]1(CCC(C)C1(CC2)3)))'
p1108
sS'CPD-18640'
p1109
S'CC8(CCC1(O[CH]7([CH](C(C)1)C6(C)([CH]([CH]5([CH](C4(C)([CH](CC(OC3(OC(CO)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)C(O)3))CC4)CC5))CC6))C7)))(NC8))'
p1110
sS'CPD-18317'
p1111
S'C(C(=O)N)=CC([O-])=O'
p1112
sS'CPD-18646'
p1113
S'CC(CO)CCC1(O)(C(C)C2([CH](O1)CC3(C(C)2CC[CH]4([CH]3CC=C5(C(C)4CCC(O)C5)))))'
p1114
sS'CPD-18311'
p1115
S'CC([N+])C(=O)NC(CNC(=O)C=CC(=O)N)C(=O)[O-]'
p1116
sS'CPD-18644'
p1117
S'CC(CN)CCC1(O)(C(C)C2([CH](O1)CC3(C(C)2CC[CH]4([CH]3CC=C5(C(C)4CCC(O)C5)))))'
p1118
sS'CPD-18313'
p1119
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)C=CC(=O)NCC([N+])C(N)=O'
p1120
sS'3-HYDROXY-PROPIONYL-COA'
p1121
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCO)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1122
sS'CPD-146'
p1123
S'C(O)C(O[N+]([O-])=O)CO'
p1124
sS'CPD-17925'
p1125
S'CSC=CC(=O)[O-]'
p1126
sS'CPD-3344'
p1127
S'CC(=NO)C(=O)[O-]'
p1128
sS'CPD-3343'
p1129
S'COC3(C=CC2(C(=O)C(C1(=CC=C(O)C=C1))=COC=2C=3))'
p1130
sS'CHLOROBENZENE'
p1131
S'C1(C=CC(Cl)=CC=1)'
p1132
sS'CPD-5961'
p1133
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p1134
sS'CPD-12408'
p1135
S'C3(=C(C1(=CC2(=C(N1)C=C(O)C(O)=C2)))NC4(=C3C=C(O)C(O)=C4))'
p1136
sS'CPD1F-90'
p1137
S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p1138
sS'CPD1F-95'
p1139
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p1140
sS'CPD1F-96'
p1141
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p1142
sS'CPD1F-97'
p1143
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p1144
sS'CPD1F-98'
p1145
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p1146
sS'CPD-87'
p1147
S'C(C=O)=C(C=C(O)C([O-])=O)C(=O)[O-]'
p1148
sS'CPD-13626'
p1149
S'CC2(C)(CC(C1(CC=C(CO)CC1))=CCC2)'
p1150
sS'CPD-15692'
p1151
S'CCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1152
sS'DEOXY-OH-METHYLCYTIDINE-TRIPHOSPHATE'
p1153
S'C(O)C2(C(=NC(N(C1(OC(C(C1)O)COP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O))C=2)=O)N)'
p1154
sS'CPD-15698'
p1155
S'CC1(C(O)C(C(C(O)O1)NC(C)=O)O)'
p1156
sS'CPD-14673'
p1157
S'C(#N)CCC1(C=CC=CC=1)'
p1158
sS'DEHYDFUC-CPD'
p1159
S'CC(O)C(O)CC(=O)C(=O)[O-]'
p1160
sS'CPD0-1682'
p1161
S'C1(OCCOC1)'
p1162
sS'CPD0-1683'
p1163
S'CCC(OP([O-])([O-])=O)C([O-])=O'
p1164
sS'CPD-15438'
p1165
S'CC9(CCC3(O[CH]4(C[CH]5([CH]2(CC=C1(CC(CCC(C)1[CH]2CCC(C)(C(C(C)3)4)5)OC7(OC(CO)C(C(O)C(OC6(OC(C)C(O)C(O)C(O)6))7)OC8(OC(C)C(O)C(O)C(O)8)))))))(OC9))'
p1166
sS'CPD-15439'
p1167
S'CC8(CCC3(O[CH]4(C[CH]5([CH]2(CC=C1(CC(CCC(C)1[CH]2CCC(C)(C(C(C)3)4)5)OC6(OC(CO)C(C(O)C(O)6)OC7(OC(C)C(O)C(O)C(O)7)))))))(OC8))'
p1168
sS'CPD-12428'
p1169
S'C1(N=C(N)NC(=O)C=1)'
p1170
sS'CPD-15349'
p1171
S'C(C1(OC(C(C(C1O)O)O)OC2(C(CO)(O)OCC(O)C(O)2)))OP([O-])(=O)[O-]'
p1172
sS'CPD0-1684'
p1173
S'CC[N+]CCC[N+]CCCC[N+]CCC[N+]CC'
p1174
sS'CPD0-1685'
p1175
S'CCC(=O)NCCCC[N+]CCCNC(=O)CC'
p1176
sS'CPD-12424'
p1177
S'CN(C)C1(=CC=C(N=O)C=C1)'
p1178
sS'CPD-15433'
p1179
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(C)C(O)C(O)C(O)2))3))C(NC(=O)C)4))NC(C)=O))C)C)C)C)C)C)C'
p1180
sS'CPD-15430'
p1181
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)O)NC(C)=O))C)C)C)C)C)C)C'
p1182
sS'CPD-12427'
p1183
S'C12(NC(=O)NC=1C(=O)NC(N)=N2)'
p1184
sS'CPD-15436'
p1185
S'CCCCCCCCC=CCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p1186
sS'CPD-15437'
p1187
S'CC1(COC6(CC1)(C(C)C3([CH](C[CH]4([CH]5(CC=C2(CC(CCC(C)2[CH](CCC(C)34)5)O))))O6)))'
p1188
sS'CPD-15434'
p1189
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(OC3(OC(C)C(O)C(O)C(O)3))4))C(NC(=O)C)5))NC(C)=O))C)C)C)C)C)C)C'
p1190
sS'CPD-15435'
p1191
S'CC(O)C(C([O-])=O)NC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O'
p1192
sS'23-DIHYDROGOSSYPETIN'
p1193
S'C1(C=C(O)C(O)=CC=1C2(OC3(C(O)=C(O)C=C(O)C(C(=O)C(O)2)=3)))'
p1194
sS'L-GALACTOSE'
p1195
S'C(C1(OC(C(C(C1O)O)O)O))O'
p1196
sS'CPD-2343'
p1197
S'C(OP([O-])([O-])=O)C(O)C(C(C(C([O-])=O)O)=O)O'
p1198
sS'CPD1F-462'
p1199
S'CC5(OC(OC4(C=C2(C(C(=O)C(=C(C1(=CC=C(O)C=C1))O2)OC3(OC(C(C(C3O)O)O)C))=C(C=4)O)))C(C(C5O)O)O)'
p1200
sS'CPD-7196'
p1201
S'CC(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))=CC=CC=C(C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4)'
p1202
sS'CPD1F-461'
p1203
S'CC4(OC(OC2(=C(C1(=CC=C(O)C=C1))OC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))C(C(C4O)O)O)'
p1204
sS'CPD-7193'
p1205
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C1(C)CC[CH]4([CH]2CC[CH]3(C(C)(CCC(O)C3)4))))'
p1206
sS'CPD-7192'
p1207
S'CC(C)CCC(O)C(C)[CH]1(CC[CH]2(C1(C)CC[CH]4([CH]2CC[CH]3(C(C)(CCC(O)C3)4))))'
p1208
sS'CPD-7191'
p1209
S'CC=C(C(C)C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p1210
sS'CPD-7190'
p1211
S'CCC(C(C)C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p1212
sS'CIS-12-DIHYDRONAPHTHALENE-12-DIOL'
p1213
S'C2(C=CC1(=C(C=CC(O)C(O)1)C=2))'
p1214
sS'INS356P3'
p1215
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])1)'
p1216
sS'CPD-7199'
p1217
S'CC1(=CC(CC(C1C=CC(=O)C)(C)C)O)'
p1218
sS'CPD-7198'
p1219
S'CC(C=CC=C(C=C=C1(C(CC(CC1(O)C)O)(C)C))C)=CC=CC=C(C)C=CC=O'
p1220
sS'ATRAZINE'
p1221
S'CCNC1(=NC(Cl)=NC(=N1)NC(C)C)'
p1222
sS'CPD-14511'
p1223
S'CCC(O)C1([N+]CCCC1)'
p1224
sS'CPD-9139'
p1225
S'CC1(=C(C=CC=C1N=C=O)N=C=O)'
p1226
sS'CPD-9138'
p1227
S'CC1(C([N+](=O)[O-])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p1228
sS'CPD-9137'
p1229
S'CC(=C(C=C(O)C([O-])=O)O)[CH]=O'
p1230
sS'CPD-9136'
p1231
S'CC1(C=C(O)C(=CC=1O)O)'
p1232
sS'CPD-9135'
p1233
S'CC1(=CC(=O)C([O-])=CC1=O)'
p1234
sS'CPD-9134'
p1235
S'CC1(C([N+](=O)[O-])=CC(=C(C=1)O)O)'
p1236
sS'CPD-9133'
p1237
S'CC1(=C([N+]([O-])=O)C=CC=C1[N+](=O)[O-])'
p1238
sS'HYDROXYPROPANAL'
p1239
S'C(C=O)CO'
p1240
sS'CPD-9131'
p1241
S'C1(=CC(O)=C(N)C=C(Cl)1)'
p1242
sS'CPD-9130'
p1243
S'CC1(C(=C(C=CC=1)O)N)'
p1244
sS'CPD-8311'
p1245
S'CCCCCCCCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p1246
sS'PHYTOALEXIN-CMPD'
p1247
S'C3(C2(C=C1(C(OC=C1)=CC=2OC(C=3)=O)))'
p1248
sS'CPD-14670'
p1249
S'CC=CC=CC=CC(NC(C1(C=CC=CC=1))CC(NC(C(C)C)C(C2(C(NC(C(C)2)=O)=O))=O)=O)=O'
p1250
sS'3-OXOPIMELOYL-COA'
p1251
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1252
sS'CPD0-1572'
p1253
S'C(=O)([O-])C1(CCCO1)'
p1254
sS'CPD1G-69'
p1255
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(=CCOP(OC1(C(O)C(O)C(O)C(CO)O1))(=O)[O-])C'
p1256
sS'CPD-16539'
p1257
S'COC1(=CC(=CC(OC)=C(O)1)C=CC(=O)OC8(C(OC2(C(OC(C(O)C(O)2)COC(C=CC3(C=CC(O)=CC=3))=O)OC6(C(=[O+]C5(=C(C(OC4(OC(COC(=O)CC(=O)O)C(O)C(O)C(O)4))=CC(O)=C5)C=6))C7(=CC(O)=C(O)C=C7))))OCC(O)C(O)8))'
p1258
sS'OXALO-SUCCINATE'
p1259
S'C(C([O-])=O)C(C(C(=O)[O-])=O)C([O-])=O'
p1260
sS'NIACINAMIDE'
p1261
S'C1(N=CC(C(=O)N)=CC=1)'
p1262
sS'CPD0-954'
p1263
S'C1(C=C2(C(C=CC(C(=CC=1)2)=O)=O))'
p1264
sS'N-ACETYL-SEROTONIN'
p1265
S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p1266
sS'CPD-4184'
p1267
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C'
p1268
sS'CPD-4187'
p1269
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))'
p1270
sS'CPD-4186'
p1271
S'CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C'
p1272
sS'CPD-4181'
p1273
S'CC(C)CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p1274
sS'CPD-17946'
p1275
S'CC(C)CCCC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p1276
sS'CPD-4183'
p1277
S'CC(CCCC(C)[CH]2(C3(CCC4(C1(CCC(C([CH]1CCC(C(=CC2)3)=4)C)O)C))(C)))C'
p1278
sS'CPD-4182'
p1279
S'CC(C)CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p1280
sS'THIOMORPHOLINE-3-CARBOXYLATE'
p1281
S'C1(SCC(C([O-])=O)[N+]C1)'
p1282
sS'D-CYSTEINE'
p1283
S'C(S)C(C(=O)[O-])[N+]'
p1284
sS'3-HYDROXY-2-OXINDOLE-3-ACETYL-ASP'
p1285
S'C(CC1(O)(C(=O)NC2(=C1C=CC=C2)))(=O)NC(CC(=O)[O-])C([O-])=O'
p1286
sS'SELENOMETHIONINE'
p1287
S'C[Se]CCC(C([O-])=O)[N+]'
p1288
sS'CPD-13777'
p1289
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)CC(=O)C(O)3)))'
p1290
sS'CPD-13776'
p1291
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)CC([N+](C)C)C(O)3)))'
p1292
sS'CPD-13775'
p1293
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)CC([N+])C(O)3)))'
p1294
sS'CPD-13774'
p1295
S'C(=O)([O-])C([N+])C[Se](=O)C'
p1296
sS'CPD-13772'
p1297
S'C4(=CC3(C=CC2(=C(C=CC1(=C(C=CC=C1)2))C=3C=C4)))'
p1298
sS'CPD-13770'
p1299
S'C[Se+](C)CCC(=O)[O-]'
p1300
sS'CPD-14675'
p1301
S'CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1302
sS'DIISOPROPYL-PHOSPHATE'
p1303
S'CC(C)OP([O-])(=O)OC(C)C'
p1304
sS'13-BETA-D-GALACTOSYL-14-ALPHA-L-FU'
p1305
S'CC3(OC(OC2(C(CO)OC(O[R])C(NC(=O)O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))C(O)C(O)C(O)3)'
p1306
sS'VANILLIN'
p1307
S'COC1(C(=CC=C([CH]=O)C=1)O)'
p1308
sS'CPD-8260'
p1309
S'CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC'
p1310
sS'CPD-8261'
p1311
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CC=CCCCCCCCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p1312
sS'CPD-8262'
p1313
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p1314
sS'CPD-12568'
p1315
S'C=CC(CCC=C(CCC=C(C)C)C)(C)O'
p1316
sS'CPD-8264'
p1317
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p1318
sS'CPD-8265'
p1319
S'CCCCCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p1320
sS'CPD-14674'
p1321
S'CC(C)CCCC(C)CCCC(C)CCCC(C)[CH]=O'
p1322
sS'CPD-8267'
p1323
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)[O-])=O'
p1324
sS'CPD-8268'
p1325
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)[O-])=O'
p1326
sS'CPD-161'
p1327
S'C(CCCC([N+])C([O-])=O)NC(N)=O'
p1328
sS'CPD-162'
p1329
S'C([O-])(=O)CC(C(C(=O)[O-])OC(C=CC1(C=CC(=C(C=1)O)O))=O)C([O-])=O'
p1330
sS'CPD-7271'
p1331
S'CC(=O)OCC1(CSC2(C(C(N(C(C(=O)[O-])=1)2)=O)[N+]))'
p1332
sS'CPD-165'
p1333
S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p1334
sS'TREHALOSE-6P'
p1335
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))O'
p1336
sS'L-1-LYSOPHOSPHATIDATE'
p1337
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p1338
sS'CPD-11436'
p1339
S'C1(=C([N+]([O-])=O)C=C(Cl)C([O-])=C(Cl)1)'
p1340
sS'CPD-11437'
p1341
S'CC(C)C1(C=CC=C(C=1O)C(C)C)'
p1342
sS'VINYL-CHLORIDE'
p1343
S'C=CCl'
p1344
sS'CPD-11432'
p1345
S'C=C1(CCCC2(C)(C1CC(C(O)(C)C)CC2))'
p1346
sS'CPD-11433'
p1347
S'CC1(CCCC2(C)(C=1CC(C(O)(C)C)CC2))'
p1348
sS'CPD-11430'
p1349
S'CC2(=CCCC1(CCC(C(O)(C)C)CC12)C)'
p1350
sS'SELENOHOMOCYSTEINE'
p1351
S'C(C[Se])C([N+])C(=O)[O-]'
p1352
sS'DIACETYL'
p1353
S'CC(C(C)=O)=O'
p1354
sS'CPD-11438'
p1355
S'CN(C)CCCN2(C3(=CC=CC=C(CCC1(=CC=CC=C12))3))'
p1356
sS'CPD-11439'
p1357
S'CC1(C(=C(C)C4(=C(C(C)=1)OC(C)(COC2(C=CC(=CC=2)CC3(C(NC(=O)S3)=O)))CC4))O)'
p1358
sS'CPD-17108'
p1359
S'C([CH]2(NC1(C(NC(=NC=1NC2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)C=C3)'
p1360
sS'CPD-17109'
p1361
S'C(NC1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)C=C1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3))'
p1362
sS'CPD-17458'
p1363
S'COC1(=CC=C2(C(=C1)O[CH]3(C4(O)(C=CC(=O)C=C(OC[CH]23)4))))'
p1364
sS'CPD-17459'
p1365
S'CC3(C)(OC4(C=CC5(C1(C(C2(O)(C(OC1)=CC(C=C2)=O))OC(C(C=C3)=4)=5))))'
p1366
sS'CPD-17456'
p1367
S'CC4(C(C3(CC9%10(C(C(CCC(=O)[O-])C7(=[N+]([Ni---]26([N+]1(=C5(C(C(C1CC(=[N+]23)4)CC(=O)[O-])CCC(C5=C8(N6C(=C7)C(C(CCC(=O)[O-])8)CC([O-])=O))=O))))9))(CC(=O)N%10)C)))CCC([O-])=O)(CC(=O)N)'
p1368
sS'CPD-17457'
p1369
S'C4(OC1(=CC(=O)C=CC(O)1[CH]5(OC3(C=C2(OCOC2=CC=3[CH]45)))))'
p1370
sS'CPD-17454'
p1371
S'CC2(OC(C)=C(OC1(C(O)C(O)C(O)C(COC(=O)CC([O-])=O)O1))C(=O)2)'
p1372
sS'CPD-17455'
p1373
S'CN1(C(=O)C2(SC)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p1374
sS'CPD-17452'
p1375
S'CCC=CCC(O)C=CC=CCC=CCC=CCC=CCCC(=O)[O-]'
p1376
sS'CPD-17453'
p1377
S'CN1(C(=O)C2(S)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p1378
sS'CPD-17102'
p1379
S'C(O)(O)C1(OC([CH]=O)=CC=1)'
p1380
sS'CPD-17103'
p1381
S'C([O-])(=O)C1(OC(C(O)O)=CC=1)'
p1382
sS'CPD-8404'
p1383
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1384
sS'CPD-8405'
p1385
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1386
sS'CPD-8406'
p1387
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1388
sS'CPD-8407'
p1389
S'CCCCCCCCC=CCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1390
sS'CPD-8400'
p1391
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1392
sS'CPD-8401'
p1393
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1394
sS'CPD-8402'
p1395
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1396
sS'CPD-8403'
p1397
S'CCC=CCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1398
sS'CPD-13346'
p1399
S'CCCCOC(=O)C'
p1400
sS'CPD-13347'
p1401
S'CC[N+]4(C(=NN=C2(N(CC)C1(C=CC(=CC=1S2)S(=O)(=O)[O-])))SC3(C=C(C=CC=34)S(=O)(=O)[O-]))'
p1402
sS'CPD-13344'
p1403
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(OP(=O)([O-])[O-])CO)=2))'
p1404
sS'CPD-8408'
p1405
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1406
sS'CPD-13343'
p1407
S'C=CC([N+])C(=O)[O-]'
p1408
sS'CPD-11861'
p1409
S'COC1(C=C(C(=O)[O-])C=C(C(=O)C=C(C(=O)[O-])C=C(C(=O)[O-])O)C(O)=1)'
p1410
sS'OCTAPRENYL-METHYL-METHOXY-BENZQ'
p1411
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C'
p1412
sS'CPD-11860'
p1413
S'COC2(C=C(C(=O)[O-])C=C(C1(=CC(C(=O)[O-])=CC(O)=C(O)1))C(O)=2)'
p1414
sS'CPD-13560'
p1415
S'C(O)CCCO'
p1416
sS'2-OXINDOLE-3-ACETYL-ASP'
p1417
S'C(NC(C(=O)[O-])CC([O-])=O)(=O)CC1(C(NC2(=CC=CC=C12))=O)'
p1418
sS'3-HYDROXY-CISCIS-MUCONATE'
p1419
S'C(=CC(=O)[O-])C(O)=CC(=O)[O-]'
p1420
sS'CPD-11863'
p1421
S'C=C(C([O-])=O)C=C(O)C(=O)[O-]'
p1422
sS'CPD-18511'
p1423
S'C=C(C1(O)([CH]2(C=C(CC[CH](C(CC1)C)2)C)))C'
p1424
sS'LINOLENOYL-COA'
p1425
S'CCC=CCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)'
p1426
sS'3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P'
p1427
S'C(=O)([O-])C(=O)CC(O)C(O)C(O)COP([O-])(=O)[O-]'
p1428
sS'DUTP'
p1429
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p1430
sS'CPD-16859'
p1431
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)C(OC)(C)C)C)C)C)C)C)C)C'
p1432
sS'CHOLANATE2'
p1433
S'CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]'
p1434
sS'CPD-11701'
p1435
S'C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)(OP([O-])(=O)[O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)'
p1436
sS'CPD-16851'
p1437
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(O)=CCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1438
sS'CPD-16850'
p1439
S'CSC1(SC2(CN=1)(C([O-])=NC3(=C2C=CC=C3)))'
p1440
sS'CPD-16853'
p1441
S'CC(C)C(C#N)C(=O)OC(C(OC(C)=O)C(OC(=O)C)C(OC(=O)C(C#N)C(C)C)COC(C(O)C(C)C)=O)COC(=O)C(O)C(C)C'
p1442
sS'CPD-16852'
p1443
S'C(=C(O)C([O-])=O)CC(=O)[O-]'
p1444
sS'CPD-16855'
p1445
S'C(O)C(CO)OC1(OC(CO)C(O)C(O)C(O)1)'
p1446
sS'CPD-16854'
p1447
S'CC(NC3(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)OC(C(C3=O)O)CO))=O'
p1448
sS'CPD-16857'
p1449
S'CC(C)=C(C)CCC(C)C1(CCC5(C)(C(C)1CCC34(C(CC[CH]2(C(C)(C)C(CCC2(C3)4)OC(C)=O))5)))'
p1450
sS'CPD-16856'
p1451
S'CC(C)=C(C)CCC(C)[CH]1(CCC2(C)(C(C)1CCC35(CC4(CCC(C([CH](CC[CH]23)4)(C)C)O)5)))'
p1452
sS'GUANOSINE_PENTAPHOSPHATE'
p1453
S'C2(=NC1(C(NC(=NC=1N2C3(C(O)C(C(O3)COP([O-])(=O)OP(OP([O-])(OP([O-])(=O)OP(=O)([O-])O)=O)(=O)[O-])O))N)=O))'
p1454
sS'N-DELTA-PHOSPHONOACETYL-L-ORNITHINE'
p1455
S'C(P(=O)(O)[O-])C(NCCCC([N+])C([O-])=O)=O'
p1456
sS'CPD-12163'
p1457
S'CC4(C)(OC3(C=CC5(C(=O)[CH]1([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C=C4)=5))))'
p1458
sS'CPD-12162'
p1459
S'CCC(CO)=CCCC(C)[CH]2(CC[CH]1(C3(CC[CH]4(CC(O)CCC(C)(C(CCC(C)12)=3)4))))'
p1460
sS'CPD-12165'
p1461
S'CC4(C)(OC3(C=CC5(C(=O)C1(O)([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C=C4)=5))))'
p1462
sS'CPD-12164'
p1463
S'C(OP([O-])(=O)[O-])CCC1(=CNC2(=C1C=CC=C2))'
p1464
sS'CPD-12167'
p1465
S'C=C(C4(OC3(C=CC5(C(=O)C1(O)([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C4)=5)))))C'
p1466
sS'CPD-12166'
p1467
S'C(OP([O-])(=O)[O-])C1(OC(O)CC(O)1)'
p1468
sS'TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E'
p1469
S'C1(=C(Cl)C(=O)OC(=CC(=O)[O-])1)'
p1470
sS'5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE'
p1471
S'CC(=O)OCCC#CC1(=CC=C(S1)C2(=CC=CS2))'
p1472
sS'MINODRONATE'
p1473
S'C1(N2(C(=CN=C(C=CC=1)2)CC(O)(P(=O)([O-])O)P(=O)([O-])O))'
p1474
sS'CPD-15142'
p1475
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p1476
sS'CPD-10101'
p1477
S'C(O)C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p1478
sS'CPD-10100'
p1479
S'C(OP(OP(OP([O-])(O)=O)([O-])=O)(=O)[O-])C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p1480
sS'CPD-10458'
p1481
S'CC2(C([N+](=O)[O-])=CC(NO)=C(C1(OC(CO)C(O)C(O)C(O)1))C([N+]([O-])=O)=2)'
p1482
sS'CPD-10457'
p1483
S'CC1(C([N+](=O)[O-])=CC(NO)=CC([N+]([O-])=O)=1)'
p1484
sS'CPD-10108'
p1485
S'CC(C)C1(OC(=O)CC(C)CC1)'
p1486
sS'CPD-10455'
p1487
S'CC1(C([N+](=O)[O-])=CC([N+])=CC([N+]([O-])=O)=1)'
p1488
sS'CPD-10453'
p1489
S'CC1(C([N+](=O)[O-])=CC(N=O)=CC([N+]([O-])=O)=1)'
p1490
sS'CPD-10452'
p1491
S'CC2(C(NC1(OC(CO)C(O)C(O)C(O)1))=CC([N+](=O)[O-])=CC([N+](=O)[O-])=2)'
p1492
sS'2-OXOPROPYL-COM'
p1493
S'CC(=O)CSCCS(=O)(=O)[O-]'
p1494
sS'CPD-10450'
p1495
S'CC1(C([N+])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p1496
sS'CPD-7207'
p1497
S'CC(=CC=CC=C(C=CC=O)C)C=CC=C(C=O)C'
p1498
sS'CPD-14365'
p1499
S'CC(=O)CC(=O)C1(C(C(=O)C([C-]C(=O)C)=O)=CC2(=C(C([O-])=1)C(O)=C3(C(=C2)C=C(O)C=C(O)3)))'
p1500
sS'CPD1G-107'
p1501
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)C(O)CCCCCCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)2)'
p1502
sS'CPD-7203'
p1503
S'CC(C=CC12(C(CC(CC1(O2)C)O)(C)C))=O'
p1504
sS'CPD-7202'
p1505
S'CC(C=CC=O)=CC=CC=C(C=CC=O)C'
p1506
sS'CPD-7201'
p1507
S'CC(=O)C=C=C1(C(O)(C)CC(O)CC(C)(C)1)'
p1508
sS'CPD-14496'
p1509
S'CC5(C(C)[CH]2(C(C(O)=O)(CCC3(C)(C1(C)(CC[CH]4(C(C)(C)C(O)CCC(C)([CH]1CC=C23)4))))CC5))'
p1510
sS'CPD-14495'
p1511
S'CC5(C(C)[CH]2(C(C=O)(CCC3(C)(C1(C)(CC[CH]4(C(C)(C)C(O)CCC(C)([CH]1CC=C23)4))))CC5))'
p1512
sS'CPD-18817'
p1513
S'CCCCCCCCCCCCCCCC(OCC(COC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))OC(=O)CCCCCCCCCCCCCCC)=O'
p1514
sS'CPD-11855'
p1515
S'CC(O)(CC(C(=O)[O-])=O)C([O-])=O'
p1516
sS'CPD-18815'
p1517
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COC(C(CCCC[N+])[N+])=O)O)OC(=O)CCCCCCCCCCCCCCC'
p1518
sS'CPD-18335'
p1519
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(=CC(=O)C1(=CC=CC=C1C(=O)2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p1520
sS'CPD-11850'
p1521
S'COC4(C=C3(C(CC2(CC1(C=CC(O)=C(OC)C=1C[N+]=2C3)))=CC(O)=4))'
p1522
sS'CPD-18812'
p1523
S'CC(C)[CH]1(CC=C(C)C=C1)'
p1524
sS'CPD-11852'
p1525
S'COC1(=C(O)C2(=C(C=C1)C=C3([N+](=C2)CCC4(=C3C=C(O)C(OC)=C4))))'
p1526
sS'CPD-11853'
p1527
S'C(=O)([O-])C1(C=C(C=C(OC)C(O)=1)C(=O)[O-])'
p1528
sS'CPD-18332'
p1529
S'C=CC(C)(CC=CC(C)(C)O)C1(C=CC3(=C2(C=1NC=C2CC(CO)NC(C(C(C)C)N(C)3)=O)))'
p1530
sS'CPD-11859'
p1531
S'COC1(=C(O)C(=CC(C(=O)[O-])=C1)C2(=CC(C(=O)[O-])=CC(OC)=C(O)2))'
p1532
sS'CPD-18333'
p1533
S'CC(C)C(NC)C(=O)NC(CC2(C1(C=CC=CC=1NC=2)))CO'
p1534
sS'CPD-14491'
p1535
S'C=C(C)C5(CCC4(CO)(CCC3(C)([CH](CC[CH]2(C1([CH](C(C)(C)C(CC1)O)CCC(C)23)(C)))[CH]45)))'
p1536
sS'ISOPHENOXAZINE'
p1537
S'C1(C=CC2(=C(C=1)N=C3(C=C(C(=O)C=C(O2)3)N)))'
p1538
sS'HYDROXYATRAZINE'
p1539
S'CCNC1(=NC(NC(C)C)=NC(O)=N1)'
p1540
sS'DOPAMINE'
p1541
S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p1542
sS'CPD0-1144'
p1543
S'CC(=O)NC1(C(CC(O)(C(=O)[O-])OC1C(O)C(O)CO)=O)'
p1544
sS'CPD-18662'
p1545
S'CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C([O-])=O'
p1546
sS'CPD-19167'
p1547
S'CCCCCCCCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1548
sS'BENZOYL-L-ARGININE'
p1549
S'C(CCC(NC(C1(C=CC=CC=1))=O)C([O-])=O)[N+]=C(N)N'
p1550
sS'CPD-6901'
p1551
S'CC=CCC=CCCC(C1(OC1C(N)=O))=O'
p1552
sS'CPD-9432'
p1553
S'C(O)C1(OCC(=O)C(O)=C1)'
p1554
sS'CPD-4402'
p1555
S'C1(=C(O)C=C2(C(=C1)[CH]3([CH](O2)C4(=C(OC3)C=C(O)C=C4))))'
p1556
sS'CPD-4403'
p1557
S'CC(C)=CCC4(C3(=C([CH]2(OC1(C(=CC=C(O)C=1)C(O)2CO3)))C=CC(O)=4))'
p1558
sS'CPD-4404'
p1559
S'CC(C)=CCC4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p1560
sS'CPD-4405'
p1561
S'CC5(C=CC4(C(=CC=C1(C(OCC2(O)(C3(C=CC(O)=CC(O[CH]12)=3)))=4))O5))(C)'
p1562
sS'CPD-4406'
p1563
S'CC1(C)(C=CC2(=C(O1)C=C3(OCC4(O)(C5(C=CC(O)=CC(O[CH](C(=C2)3)4)=5)))))'
p1564
sS'CPD-4407'
p1565
S'C=C(C)C1(CC2(=C(O1)C=C3(OCC4(O)(C5(C=CC(O)=CC(O[CH](C(=C2)3)4)=5)))))'
p1566
sS'6-A-D-GLUCOSAMINYL-1D-MYO-INOSITOL-12'
p1567
S'C(O)C3(OC(OC1(C(O)C(O)C(O)C2(OP(=O)([O-])OC12)))C([N+])C(O)C(O)3)'
p1568
sS'BENZYLAMINE'
p1569
S'C(C1(C=CC=CC=1))[N+]'
p1570
sS'BUTHIONINE-SULFOXIMINE'
p1571
S'CCCCS(=O)(=N)CCC([N+])C(=O)[O-]'
p1572
sS'CPD0-2162'
p1573
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(CO)O)[O-])O'
p1574
sS'CPD0-2167'
p1575
S'CC(O)C(O)C(O)C=O'
p1576
sS'CPD0-2165'
p1577
S'CCCCCCCCCCCCCC(OC(COP(OCC[N+])([O-])=O)CO)=O'
p1578
sS'CPD-17947'
p1579
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C(NC(C([O-])=O)CCCC(C(NC(C)C([O-])=O)=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)OC(O[R3])C(NC(=O)C)2))=O)C(OC3(OC(CO)C(O[R1])C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C'
p1580
sS'MN+2'
p1581
S'[Mn++]'
p1582
sS'MN+3'
p1583
S'[Mn+++]'
p1584
sS'CPD-8292'
p1585
S'CCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p1586
sS'AMINO-HYDROXYMETHYL-METHYL-PYR-P'
p1587
S'CC1(N=CC(COP(=O)([O-])[O-])=C(N=1)N)'
p1588
sS'CPD-904'
p1589
S'C1(CCC(C([O-])=O)[N+](C)1)'
p1590
sS'CPD-8811'
p1591
S'CC2(C1(CC3(CCC(C1CC2)(C)C=C3C)))'
p1592
sS'CPD-14751'
p1593
S'CCC4([CH]3(C5(C(O)C26(C1(C(=CC=CC=1)N(C)[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p1594
sS'CPD-14753'
p1595
S'C(O)C5(OC(OC4(C=CC(C3(OC1(=C(C(O)=CC(O)=C1)C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)))=CC(O)=4))C(O)C(O)C(O)5)'
p1596
sS'CPD-14755'
p1597
S'CCC(C)C2(NC(=O)C4(CCCN(C(=O)C(N(C)C(C(CC1(C=CC=CC=1))NC(=O)C(N(C)C(=O)C(C(CC)C)OC(=O)C(C(O)(C)C)N(C)C(=O)C(CC(C)C)NC(C(C(C)C)N(C)C(=O)2)=O)C(C)C)=O)CC3(C=CC=CC=3))4))'
p1598
sS'CPD-14756'
p1599
S'CSC(C1(C=CC=CC=1))=O'
p1600
sS'CPD-14757'
p1601
S'CSC1(=CC=CC=C1)'
p1602
sS'CPD-14758'
p1603
S'C1(OC(CS)=CC=1)'
p1604
sS'CPD-3841'
p1605
S'C1(OP([O-])([O-])=O)(C(OP([O-])([O-])=O)C(OP(=O)([O-])OP(=O)([O-])[O-])C(OP([O-])(=O)OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p1606
sS'POLYRIBITOL-PHOSPHATE'
p1607
S'C(OP([O-])(=O)O[R1])C(O)C(O)C(O)C(O)OP([O-])(=O)OCC(O)C(O)C(O)C(O)OP([O-])(=O)OCC(O)C(O)C(O)CO'
p1608
sS'CPD0-2306'
p1609
S'C(O)C2([N+]1(CC(O)C(O)[CH]1C(O)C(O)2))'
p1610
sS'CPD0-2303'
p1611
S'C(=O)C1(=CC=CC(C(=O)[O-])=C1)'
p1612
sS'17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O'
p1613
S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CC[CH]3CC(=O)CC4))'
p1614
sS'CPD0-2301'
p1615
S'C3(=CC2(=C([I+]C1(C=CC=CC=12))C=C3))'
p1616
sS'23-DIMERCAPTOPROPAN-1-OL'
p1617
S'C(O)C(S)CS'
p1618
sS'2-DEOXYGLUCOSE-6-PHOSPHATE'
p1619
S'C(CC(C(C(COP([O-])([O-])=O)O)O)O)=O'
p1620
sS'CPD-13908'
p1621
S'C(CCC(C([O-])=O)[N+])(=O)NC(CS[Se]SCC(C(=O)NCC(=O)[O-])NC(CCC(C([O-])=O)[N+])=O)C(=O)NCC(=O)[O-]'
p1622
sS'IMIDAZOLE-PYRUVATE'
p1623
S'C1(NC=NC(CC(=O)C(=O)[O-])=1)'
p1624
sS'CPD-8338'
p1625
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p1626
sS'CPD-8742'
p1627
S'C([O-])(=O)CC=CC(=O)C(=O)[O-]'
p1628
sS'CPD-13900'
p1629
S'C([O-])(=O)C1(CC(C=N1)=CC=C(C(=O)[O-])O)'
p1630
sS'CPD-13901'
p1631
S'C([O-])(=O)C1(CC(=C[N+]1)C=CC(C(=O)[O-])=O)'
p1632
sS'CPD-11847'
p1633
S'C([O-])(=O)CCC(NC(=O)C1(C=CC(O)=CC=1))C(=O)[O-]'
p1634
sS'CPD-13903'
p1635
S'C1(C=C(C(=O)[O-])OC(C=1CC(C(=O)[O-])[N+])=O)'
p1636
sS'CPD-13904'
p1637
S'C(=O)C1(CC(C([O-])=O)NC(C(=O)[O-])=CC=1)'
p1638
sS'CPD-13905'
p1639
S'C1(=O)(C=C(CC(C(=O)[O-])[N+])C=C(C(=O)[O-])O1)'
p1640
sS'CPD-13906'
p1641
S'C=CC1(=CC(C([O-])=O)[N+]C1)'
p1642
sS'CPD-13907'
p1643
S'C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))'
p1644
sS'CPD-18109'
p1645
S'CC1(C([N+](=O)[O-])=C(C(=CC=1)O)O)'
p1646
sS'CPD-18108'
p1647
S'CC1(C([N+]([O-])=O)=C(C=CC=1)[N+]([O-])=O)'
p1648
sS'CPD-8216'
p1649
S'CC2(C=C(O)C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C=2)=3)))'
p1650
sS'N2-ACETYL-ALPHA-AMIN'
p1651
S'CC(=O)NC(CCCC(=O)[O-])C(=O)[O-]'
p1652
sS'CPD-18100'
p1653
S'C1(C=C(O)C(O)=CC=1C=CC(=O)OCC6(OC(OC3(C(=[O+]C2(C(=C([O-])C=C(O)C=2)C=3))C4(=CC=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))'
p1654
sS'CPD-18103'
p1655
S'CC(C)C1(=C(O)C(O)=C2(C(=C1)CC[CH]3(C(C(=O)[O-])2CCCC(C)(C)3)))'
p1656
sS'CPD-18105'
p1657
S'CC1(C=CC(=CC=1)OC2(C(O)C(O)C(COP(=O)([O-])[O-])O2))'
p1658
sS'4-GUANIDO-BUTYRAMIDE'
p1659
S'C(NC(N)=[N+])CCC(=O)N'
p1660
sS'CPD-18107'
p1661
S'C1(C=C(Cl)C=C(C=1)[N+]([O-])=O)'
p1662
sS'TAUROLITHOCHOLATE-SULFATE'
p1663
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(OS(=O)(=O)[O-])CCC(C)1[CH]2CCC(C)34)))))CCC(=O)NCCS([O-])(=O)=O'
p1664
sS'CPD-17200'
p1665
S'CC(C)=CCC7(C=CC6(=C(C5(=C(C4(C)(C2(C)(C(O)(C13(OC(C(O)C(OC1CC2)C(OCC=C(C)C)(C)C)3))CC[CH]4C5)))N6))C(CC=C(C)C)=7))'
p1666
sS'D-TARTRATE'
p1667
S'C(=O)([O-])C(O)C(O)C(=O)[O-]'
p1668
sS'CHALCONE-CMPD'
p1669
S'C1(C=CC(=CC=1)C=CC(=O)C2(=CC=CC=C2))'
p1670
sS'CPD-18667'
p1671
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p1672
sS'CPD-8212'
p1673
S'C3(C1(N2(C(=CC=C1)C(S[Cu]2(O3)Cl)=O)))=O'
p1674
sS'BENZENE-NO2'
p1675
S'C1(=CC=C(C=C1)[N+]([O-])=O)'
p1676
sS'CPD-9612'
p1677
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(=C(SC)C(=O)C1(=C(SC=C1)C(=O)2))'
p1678
sS'O-SINAPOYLGLUCARATE'
p1679
S'COC1(C(O)=C(OC)C=C(C=1)C=CC(=O)OC(C(=O)[O-])C(O)C(O)C(O)C(=O)[O-])'
p1680
sS'CPD-8330'
p1681
S'CCCCCC=CCC=CCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p1682
sS'CPD-9345'
p1683
S'CCNC1(=NC(=NC(=N1)S(=O)C)NC(C)C)'
p1684
sS'DINITRO-4-HYDROXYPHENYLPYRUVATE'
p1685
S'C(=O)([O-])C(=O)CC1(C=C([N+]([O-])=O)C(O)=C([N+](=O)[O-])C=1)'
p1686
sS'CPD-8331'
p1687
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p1688
sS'MALONATE-S-ALD'
p1689
S'[CH](=O)CC([O-])=O'
p1690
sS'8-OXOCOFORMYCIN'
p1691
S'C(C3(C(C(C(N2(C=NC1(CC(NC=NC=12)=O)))O3)O)O))O'
p1692
sS'CPD-19057'
p1693
S'CCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)OC(=O)C))=O'
p1694
sS'CPD-9616'
p1695
S'CC2(=C(O)C1(C(=O)C3(C=C(C(OC)=CC(C(=O)C=1C(=C2)O)=3)OC)))'
p1696
sS'CPD-4261'
p1697
S'CC1(OC2(C)(CCC1CC2))(C)'
p1698
sS'CPD-11223'
p1699
S'C(=O)([O-])C(O)=CC(=CC(Cl)=O)C(=O)[O-]'
p1700
sS'CPD-11222'
p1701
S'C([O-])(=O)C1(C=C(C(=C(O)C=1)O)Cl)'
p1702
sS'CPD-11221'
p1703
S'C(=O)([O-])C1(=CC(O)(Cl)[CH](O)C=C1)'
p1704
sS'CPD-11220'
p1705
S'C(=O)([O-])C1(C=C(Cl)C(O)C(O)C=1)'
p1706
sS'34-DIHYDROXYPHENYLACETYL-COA'
p1707
S'CC(C)(C(O)C(=O)NCCC(NCCSC(CC1(C=C(O)C(O)=CC=1))=O)=O)COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C=NC3(C(N)=NC=NC=34))))[O-])[O-]'
p1708
sS'CPD-11226'
p1709
S'C2(NC1(=C(C=CC=C1)C=2CC(NCC([O-])=O)=O))'
p1710
sS'CPD-11225'
p1711
S'C([O-])(=O)C1(=C[CH](O)C(O)(Cl)C(Cl)=C1)'
p1712
sS'CPD-11224'
p1713
S'C([O-])(=O)C1(=CC=C(Cl)C(Cl)=C1)'
p1714
sS'CPD-6121'
p1715
S'C(CC[N+])[N+]CCCC=O'
p1716
sS'CPD-6123'
p1717
S'C1(=[N+](CCC[N+])CCC1)'
p1718
sS'CPD-9343'
p1719
S'CCNC1(=NC(=NC(=N1)SC)NC(C)C)'
p1720
sS'CPD-6124'
p1721
S'C1(CC[N+]=C1)'
p1722
sS'CPD-19054'
p1723
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)C(C(OC(=O)C(C)C)2)O)CO))=O)C'
p1724
sS'CPD0-1148'
p1725
S'CN(C)C1(C=CC(N)=CC=1)'
p1726
sS'CPD-22'
p1727
S'CC([CH]1(C(C)NC2(=C(N(C=O)1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C([O-])=O)=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p1728
sS'ALPHA-METHYL-TYROSINE'
p1729
S'CC([N+])(C(=O)[O-])CC1(C=CC(O)=CC=1)'
p1730
sS'CPD-19050'
p1731
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)OC(=O)C))=O'
p1732
sS'CPD-19052'
p1733
S'C(Cl)C1(OC1)'
p1734
sS'CPD-27'
p1735
S'[O-][PH2]=O'
p1736
sS'CPD-28'
p1737
S'CN1(C(C=CC1=O)=O)'
p1738
sS'CPD-29'
p1739
S'C1(=CC=C(C=C1)C(=O)[O-])[Hg]Cl'
p1740
sS'CPD4FS-1'
p1741
S'C[N+](C)CCOP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2))'
p1742
sS'CPD-19058'
p1743
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)C(C(OC(=O)C(C)C)2)OC(=O)C)CO))=O)C'
p1744
sS'CPD-19059'
p1745
S'CCC(C)(C)O'
p1746
sS'CPD0-1147'
p1747
S'CN(C)C1(C=CC(=CC=1)N=NC2(C=CC=CC(C(=O)[O-])=2))'
p1748
sS'DCDP'
p1749
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O'
p1750
sS'CPD-18823'
p1751
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(CC(=O)CCC(C)4[CH](CCC(C)56)7))))'
p1752
sS'CPD-9939'
p1753
S'CC1(=NCCC2(=C1NC3(C=C(OC)C=CC2=3)))'
p1754
sS'5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE'
p1755
S'C(NC=O)C(=[N+])NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p1756
sS'CPD0-2194'
p1757
S'CCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O)O'
p1758
sS'GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP'
p1759
S'CC(=O)NC(CC(=O)NC5(OC(CO)C(OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(COP(=O)([O-])OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(O)C(O)C(O)2))C(O)C(O)3))C(O)C(NC(C)=O)4))C(O)C(NC(C)=O)5))C(N)=O'
p1760
sS'3-BROMOPYRUVATE'
p1761
S'C(Br)C(=O)C(=O)[O-]'
p1762
sS'CPD1F-140'
p1763
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1764
sS'CPD0-1712'
p1765
S'C(O)C1(C(O)C(O)C(O1)N2(C(N=C(N)C([Hg])=C2)=O))'
p1766
sS'E-37-DIMETHYLOCTA-16-DIEN-38-DIOL'
p1767
S'C=CC(CCC=C(C)CO)(O)C'
p1768
sS'CPD-204'
p1769
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1770
sS'CPD-18821'
p1771
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C=CC4(=CC(=O)CCC(C)4[CH](CCC(C)56)7))))'
p1772
sS'CPD-379'
p1773
S'C(O)C1(OC(C(C(C1O)O)O)OC2(C(C(C(OC2CO)=O)O)O))'
p1774
sS'CPD-809'
p1775
S'C(=O)(N)NC(=O)N'
p1776
sS'CPD-375'
p1777
S'CC1(=C(C2(=C(C=N1)COC2=O))O)'
p1778
sS'CPD-806'
p1779
S'CCNC1(N=C(N=C(N)N=1)O)'
p1780
sS'CPD-377'
p1781
S'C(C(C(C(C(CO)O)O)O)=O)([O-])=O'
p1782
sS'CPD-804'
p1783
S'C(CCC(O)CC(C([O-])=O)=O)([O-])=O'
p1784
sS'CPD-371'
p1785
S'CCCCCCC[CH]=O'
p1786
sS'CPD-802'
p1787
S'CCCCCCCCCC(CCCCCCCCCCCC([O-])=O)O'
p1788
sS'CPD-373'
p1789
S'C(O)C(O)C(O)C(O)C(=O)[O-]'
p1790
sS'CPD-372'
p1791
S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)CO'
p1792
sS'INDOLE-CARBOXY-HYDRO-THIAZOLE'
p1793
S'C1(=C(C2(C=CC=CC(N1)=2))C3(=NC(C([O-])=O)CS3))'
p1794
sS'1-34-DIMETHYLPHENYLETHANE-12-DIOL'
p1795
S'CC1(=CC=C(C=C(C)1)C(CO)O)'
p1796
sS'CPD-12180'
p1797
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C=CC1(C=CC(O)=C(OC)C=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p1798
sS'2-HYDROXY-4-CARBOXYPYRIMIDINE'
p1799
S'C1(N=C(N=C(C([O-])=O)C=1)O)'
p1800
sS'XTP'
p1801
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p1802
sS'CPD-1137'
p1803
S'C=C(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C([O-])=O'
p1804
sS'CPD-16622'
p1805
S'CC3(C[CH]4(C26(OC(C[CH]5(C1(CCC(C([CH]1CCC(C2(CC(O)C(C)(CC3)4)C)5C)(C)C)O)C))6)))C'
p1806
sS'CPD-16623'
p1807
S'CC1(C=O)(C(O)CC3(C)([CH](C1)C24(OC2C[CH]5(C(C)(C(C)(CC(O)3)4)CC[CH]9(C(C)5CCC(OC8(OCC(OC6(OC(CO)C(O)C(O)C(O)6))C(O)C(OC7(OC(CO)C(O)C(O)C(O)7))8))C(CO)(C)9)))))'
p1808
sS'CPD-16620'
p1809
S'CC3(C[CH]4(C26(OC(C[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(C)(CC3)4)C)5C)(C)C)O)C))6)))C'
p1810
sS'CPD-16621'
p1811
S'CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CC(O)C(CC3)4C)C)5C)(C)C)O)C))))C'
p1812
sS'CPD-16626'
p1813
S'CC2(C=O)(C(OC(=O)C1(C(NC)=CC=CC=1))CC4(C)([CH](C2)C35(OC3C[CH]6(C(C)(C(C)(CC(O)4)5)CC[CH]9(C(C)6CCC(OC8(OCC(O)C(O)C(OC7(OC(CO)C(O)C(O)C(O)7))8))C(CO)(C)9)))))'
p1814
sS'CPD-16627'
p1815
S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CC(O)C2=C3)C)C))C'
p1816
sS'CPD-16624'
p1817
S'CC2(C=O)(C(OC(=O)C1(C(N)=CC=CC=1))CC4(C)([CH](C2)C35(OC3C[CH]6(C(C)(C(C)(CC(O)4)5)CC[CH]%10(C(C)6CCC(OC9(OCC(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(CO)C(O)C(O)C(O)8))9))C(CO)(C)%10)))))'
p1818
sS'CPD-16625'
p1819
S'CC1(C=O)(C(O)CC3(C)([CH](C1)C24(OC2C[CH]5(C(C)(C(C)(CC(O)3)4)CC[CH]8(C(C)5CCC(OC7(OCC(O)C(O)C(OC6(OC(CO)C(O)C(O)C(O)6))7))C(CO)(C)8)))))'
p1820
sS'CR+2'
p1821
S'[Cr++]'
p1822
sS'CR+3'
p1823
S'[Cr+++]'
p1824
sS'CPD0-1532'
p1825
S'C(CC([N+])C([O-])=O)C(F)C([N+])C(=O)[O-]'
p1826
sS'CPD-9673'
p1827
S'C(CO)(Cl)(Cl)Cl'
p1828
sS'CR+6'
p1829
S'[Cr++++++]'
p1830
sS'CPD0-1535'
p1831
S'C([O-])(=O)C([N+])CCC(O)C([N+])C([O-])=O'
p1832
sS'CPD-9676'
p1833
S'C(O)C1(OC(OCC(Cl)(Cl)Cl)C(O)C(O)C(O)1)'
p1834
sS'CPD0-1537'
p1835
S'C(CC(C(=O)[O-])[N+])CC1(C(=O)[O-])(CN1)'
p1836
sS'CPD-12753'
p1837
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSCC(C(=O)[O-])NC(C)=O'
p1838
sS'CPD-12750'
p1839
S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)[O-])C'
p1840
sS'CPD-12751'
p1841
S'C=CC1(C)(CCC2(C(C)(O1)CCC3(C(C)2CCCC(C)(C)3)))'
p1842
sS'CPD-12756'
p1843
S'O=[PH](O)[O-]'
p1844
sS'CPD-12755'
p1845
S'O=[P-](O)[O-]'
p1846
sS'CPD-12759'
p1847
S'CC1(CCC(CC=1)C2(=CCCC(C)(C)C2))'
p1848
sS'HSO3'
p1849
S'OS(=O)[O-]'
p1850
sS'CPD-8679'
p1851
S'CCCCCC=CC=COC=CCCCCCCC([O-])=O'
p1852
sS'CPD-8678'
p1853
S'CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO'
p1854
sS'CPD-8677'
p1855
S'CCCCCC=CC=CC(CCCCCCCC([O-])=O)OO'
p1856
sS'CPD-8676'
p1857
S'COC1(C=C(C=CC=1O)C=CC(=O)OC6(C(OC5(C(OC3(=CC4(CC([N+](=CC=C2(CC([N+]C(=C2)C(=O)[O-])C([O-])=O))C(C=C3O)=4)C([O-])=O)))OC(C(C5O)O)CO))OC(C(C6O)O)C([O-])=O))'
p1858
sS'CPD-8675'
p1859
S'C(C=C1(CC([N+]C(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(C=C(C(=CC2=3)O)OC4(C(C(C(C(O4)CO)O)O)OC5(C(C(C(C(O5)C([O-])=O)O)O)OC(C=CC6(C=CC(=CC=6)O))=O))))C([O-])=O)'
p1860
sS'CPD-8674'
p1861
S'C(C2(OC(OC(=O)C=CC1(C=CC(=CC=1)O))C(C(C2O)O)O))O'
p1862
sS'CPD-8672'
p1863
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(=CC(C(C=C2)=O)=O))C([O-])=O'
p1864
sS'CPD-8671'
p1865
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(C=C(C(=CC=2)O)O))C([O-])=O'
p1866
sS'CPD-8670'
p1867
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(C=CC(=CC=2)O))C([O-])=O'
p1868
sS'CPD-16998'
p1869
S'C1(C=CC(=CC=1)C(=O)C=CC2(=CC=CC=C(O)2))'
p1870
sS'CPD-16999'
p1871
S'CCCCCC(C(C)=O)CC(=O)C'
p1872
sS'NAPHTHALENE-12-DIOL'
p1873
S'C1(C=CC2(=C(C=1)C=CC(O)=C2O))'
p1874
sS'CPD-16991'
p1875
S'CC(C(C)=O)CC(=O)C'
p1876
sS'CPD-16992'
p1877
S'CCCCCC3(C(C)=NC(=CC2(NC(C1(NC=CC=1))=CC(OC)=2))C=3)'
p1878
sS'CPD-16993'
p1879
S'CCCCCC3(C(C)=NC(=CC2(NC(C1(NC=CC=1))=CC(O)=2))C=3)'
p1880
sS'CPD-16994'
p1881
S'CCCCCC(C(C)=O)C[CH]=O'
p1882
sS'CPD-16995'
p1883
S'CCCCCC=CC(C)=O'
p1884
sS'CPD-16996'
p1885
S'CCCCCCC=CC(C)=O'
p1886
sS'CPD-16997'
p1887
S'CC(=O)C=CC1(C=CC=CC=1)'
p1888
sS'CPD-16446'
p1889
S'CN4(C3(C1(=CC(=C(C=C1CC(C2(=CC(=C(C=C2C3)OC)OC))4)OC)OC)))'
p1890
sS'CPD-16447'
p1891
S'CCC(C)CCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p1892
sS'CPD-16445'
p1893
S'COC1(=C(C=C3(C(=C1)CC4(C2(=CC(=C(C=C2CC3[N+]4)OC)OC))))OC)'
p1894
sS'CPD-16443'
p1895
S'CCC(C)CCCCC(=O)[O-]'
p1896
sS'CPD-16440'
p1897
S'CC1(CC[CH]2(C(=COC(O)[CH]12)C=O))'
p1898
sS'CPD-16441'
p1899
S'CC1(C(O)C[CH]2([CH]1C(O)OC=C(C(OC)=O)2))'
p1900
sS'CPD-12281'
p1901
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])COC5(OC(COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(O)C(C(O3)C(COC4(CC(O)C(C(O4)C(CO)O)O)C(=O)[O-])O)O)C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)5))O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p1902
sS'CPD-12282'
p1903
S'C(=O)([O-])CCCCCCCCCCCO'
p1904
sS'CPD-12284'
p1905
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])COC5(OC(COC2(CC(C(C(O2)C(CO)O)O)OC3(CC(C(C(O3)C(CO)O)O)OC4(CC(O)C(C(O4)C(CO)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)5))O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p1906
sS'BENZOSEMIQUINONE'
p1907
S'C1(=CC(O)=CC=C(O)1)'
p1908
sS'CPD-16448'
p1909
S'C1(=O)(ONC=C1)'
p1910
sS'CPD-16449'
p1911
S'C1(=O)(ON(CC(C([O-])=O)[N+])C=C1)'
p1912
sS'CPDQT-350'
p1913
S'CSCCCCCCCC=NO'
p1914
sS'CPD-15523'
p1915
S'C(Cl)CC(=O)C1(=CC=CC=C1)'
p1916
sS'3-HYDROXY-L-KYNURENINE'
p1917
S'C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)'
p1918
sS'CPD-12464'
p1919
S'C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)OC4(C(C(C(C(CO)O4)O)O)O))'
p1920
sS'CPD-15176'
p1921
S'C1(C=CC(=CC=1)C2(=CC(=O)C4(=C(O2)C=C(OC3(C(C(C(O)C(O3)CO)O)O))C(O)=C(O)4)))'
p1922
sS'GLYCODEOXYCHOLIC_ACID'
p1923
S'CC(CCC(=O)NCC(=O)[O-])[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34))))'
p1924
sS'PYRAZINAMIDE'
p1925
S'C1(N=CC=NC=1C(=O)N)'
p1926
sS'URATE'
p1927
S'C12(NC(=O)NC=1C(=O)NC(=O)N2)'
p1928
sS'3-HYDROXYPIMELYL-COA'
p1929
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1930
sS'OXIDIZED-LATIA-LUCIFERIN'
p1931
S'CC1(CCCC(C)(C)C(CCC(C)=O)=1)'
p1932
sS'BETAINE-ALDEHYDE-HYDRATE'
p1933
S'C[N+](C)(CC(O)O)C'
p1934
sS'CPD-8098'
p1935
S'C([O-])(=O)C=CC1(=CC(O)=C(O)C=C1)'
p1936
sS'CPD-12466'
p1937
S'CC(C1(CC=C(C)CC1))C'
p1938
sS'CPD-9873'
p1939
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(O)=C(O)1)'
p1940
sS'CPD-8093'
p1941
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1942
sS'CPD-8092'
p1943
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1944
sS'CPD-8091'
p1945
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1946
sS'CPD-8090'
p1947
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1948
sS'CPD-8097'
p1949
S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p1950
sS'CPD-8094'
p1951
S'C([O-])(=O)C=CC1(=CC(=O)C(=O)C=C1)'
p1952
sS'CPD-13485'
p1953
S'C3(=CC2(C=CC1(=C(C=CC=C1)C=2C=C3)))'
p1954
sS'CPD-13486'
p1955
S'C2(C=CC3(=C1(C(C=CC(O)C(O)1)=CC=C(C=2)3)))'
p1956
sS'CPD-13481'
p1957
S'CCC(C)C2(NC1(C(O)C%10(=C(C=C1)C(C(O)C)=CC(C(=O)OC(C4(C9(SC=C([CH]7(C(NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)2)C)=C)(C3(SC=C(N=3)C(NC(C(O)C)C(=O)NC(=CC)C6(=NC(C(=O)NC(C5(SC=C(C(=O)N4)N=5))C(O)(C(C)O)C)CS6))=O))CCC(=N7)C8(=NC(=CS8)C(NC(=C)C(=O)NC(=C)C(N)=O)=O)))N=9)))C)=N%10)))'
p1958
sS'CPD-13483'
p1959
S'C(=O)([O-])C([N+])CC1(C=CC(N)=CC=1)'
p1960
sS'CPD-13482'
p1961
S'C(O)C1(=CC=C(N)C=C1)'
p1962
sS'CPD-10660'
p1963
S'C(=O)C1(C=CC=C(Cl)C=1)'
p1964
sS'CPD-10661'
p1965
S'C[N+](C)(C)NCCC([O-])=O'
p1966
sS'CPD-10662'
p1967
S'C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC=C(C)C'
p1968
sS'CPD-10663'
p1969
S'C(C1(C=C(Cl)C=CC=1O))([O-])=O'
p1970
sS'CPD-10664'
p1971
S'CC1(=CC(=C(C=C1)O)C([O-])=O)'
p1972
sS'CPD-10665'
p1973
S'CC1(=CC=CC(=C1O)C([O-])=O)'
p1974
sS'CPD-10666'
p1975
S'C(C1(C=CC=C(Cl)C=1O))([O-])=O'
p1976
sS'CPD-10667'
p1977
S'CC1(C)(CCC2(C)([CH](C1)C3(C)(C(=CC2)C4(C)([CH](CC3)C5(C)([CH](CC4)C(C)(C)C(O)CC5)))))'
p1978
sS'BUFOTENINE'
p1979
S'C[N+](C)CCC2(=CNC1(C(=CC(=CC=1)O)2))'
p1980
sS'CPD-14109'
p1981
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(OC(=O)CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p1982
sS'CPD-18489'
p1983
S'CCCCCC=CCC=CCC=CCC=CCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p1984
sS'FORMYL-COA'
p1985
S'CC(C)(C(O)C(=O)NCCC(=O)NCCS[CH]=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p1986
sS'CPD-18484'
p1987
S'CC(C)=CCCC(=CCCC(C)=CCOC(=O)C)C'
p1988
sS'RETINAL'
p1989
S'CC(C=CC1(C(C)(C)CCCC(C)=1))=CC=CC(C)=C[CH]=O'
p1990
sS'CPD-14101'
p1991
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p1992
sS'CPD-14100'
p1993
S'[CH](=O)CCC(=O)C1(C=CC=NC=1)'
p1994
sS'CPD-14103'
p1995
S'C([O-])(=O)C1(OC(CO)=CC=1)'
p1996
sS'CPD-18483'
p1997
S'C(=O)([O-])C(=O)CC(O)C(O)CS(=O)(=O)[O-]'
p1998
sS'CPD-17711'
p1999
S'CCCCCC=CCC=CCCCCCCCC(NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))=O))=O'
p2000
sS'SHIKIMATE'
p2001
S'C1(=C(CC(C(O)C(O)1)O)C(=O)[O-])'
p2002
sS'CPD-17712'
p2003
S'C1(C(=O)NC2(C(=O)N=C(N)N=C(N1)2))'
p2004
sS'CPD-17714'
p2005
S'C(OS(=O)(=O)[O-])C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(O)C=C(C([O-])=O)O2))'
p2006
sS'CPD-17716'
p2007
S'CCCCCC=CCC=CCCCCCCCC=O'
p2008
sS'CPD-3221'
p2009
S'C=C1(CCC2(CC1C(C)(C)2))'
p2010
sS'N-PRENYLAGMATINE'
p2011
S'CC(=CCNC(NCCCC[N+])=[N+])C'
p2012
sS'CPD-13158'
p2013
S'CC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(O)C)C(=O)NC(CC[N+])C(=O)NC1(CCNC(=O)C(C(O)C)NC(=O)C(CC[N+])NC(=O)C(CC[N+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC[N+])NC(=O)1)'
p2014
sS'CPD-13153'
p2015
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC1(OC(C)(C)1)'
p2016
sS'CPD-13152'
p2017
S'CC(C=CC=C(C=CC=C(C(O[R1])=O)C)C)=CC=CC=C(C=CC=C(C=CC=C(C(O[R2])=O)C)C)C'
p2018
sS'CPD-13151'
p2019
S'CC(C=CC=C(C=CC=C(C([O-])=O)C)C)=CC=CC=C(C=CC=C(C=CC=C(C([O-])=O)C)C)C'
p2020
sS'CPD-13150'
p2021
S'CC(C=CC=C(C=CC=C(C=O)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=O)C)C)C'
p2022
sS'CPD-13154'
p2023
S'CC(C)C(=O)OC8(C(OC1(C(C(C(C(COC)O1)OC2(C(C(C(C(C)O2)OC)OC3(CC7(C)(C(C(C)O3)OC4(CC(C(C(C)O4)OC5(CC(C(C(C)O5)OC(C6(C(=C(C(=C(C(C)=6)Cl)[O-])Cl)OC))=O)O))O)O7)))O))O)OC))OCC%11(C8OC9(C%10(C(C(C(C)=O)(C(C)O9)O)OCO%10))O%11))'
p2024
sS'CPD-9459'
p2025
S'CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C([O-])=O)C)5C)(C)C)O)C))))C'
p2026
sS'CPD-10598'
p2027
S'CC(=O)C1(C=CC(O)=CC=1)'
p2028
sS'CPD-10599'
p2029
S'C([O-])(=O)CC(=O)C1(C=CC(O)=CC=1)'
p2030
sS'CPD-10596'
p2031
S'CCC1(C=CC(O)=CC=1)'
p2032
sS'CPD-10597'
p2033
S'CC(O)C1(C=CC(O)=CC=1)'
p2034
sS'CPD-10590'
p2035
S'CC(CCC(O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p2036
sS'CPD-10591'
p2037
S'CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p2038
sS'CPD-18660'
p2039
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p2040
sS'CPD-18661'
p2041
S'C1([N+]C(C[Se]1)C(=O)[O-])'
p2042
sS'CPD-4895'
p2043
S'C1(C=CC2(C(=O)C(=O)C=CC(C=1)=2))'
p2044
sS'CPD-4894'
p2045
S'CC(C12(CC=C(C1C2)C))C'
p2046
sS'CPD-18664'
p2047
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p2048
sS'CORTISOL'
p2049
S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p2050
sS'CPD-18666'
p2051
S'CCC1(=C(C)C3(=NC1=CC6(=C(C)C7(C(=O)[C-](C(OC)=O)C(=C2(C(CCC(=O)[O-])C(C)C(=N2)C=C5(C(C)=C(C=C)C4(OC34)(N5))))C(N6)=7))))'
p2052
sS'CPD-4890'
p2053
S'CC(=C1(CCC(=CC1)C))C'
p2054
sS'CPD-18668'
p2055
S'CCCCCCCCC=CCCCCCC=C(C)C([O-])=O'
p2056
sS'DEPHOSPHO-COA'
p2057
S'CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCS'
p2058
sS'CPD-6947'
p2059
S'CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C'
p2060
sS'CPD-6945'
p2061
S'C(N)(=O)CCCCNC(=[N+])N'
p2062
sS'CPD-6944'
p2063
S'C(=O)(N)CCONC(=[N+])N'
p2064
sS'CPD-17900'
p2065
S'CCC(=CCCC(C)=CC(=O)[O-])CCC1(OC(C)(CC)1)'
p2066
sS'CPD-6942'
p2067
S'C(CCCC([O-])=O)[N+]=C(N)N'
p2068
sS'CPD-17902'
p2069
S'C1(=CC(C(O)(C(O)O)OC1)=O)'
p2070
sS'CPD-17903'
p2071
S'C(=O)(N)C3(=CC2(C1(C(=O)OC(C(C=C1)2)O3)(O)))'
p2072
sS'CPD-3321'
p2073
S'CC1([CH](C(=O)NCCCCC([N+])C([O-])=O)N=CC1)'
p2074
sS'CYSTINE'
p2075
S'C(C(C(=O)[O-])[N+])SSCC(C([O-])=O)[N+]'
p2076
sS'CPD-6948'
p2077
S'CC3(C[CH]4(C2(=CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(C)(CC3)4)C)5C)(C)C)O)C))))C'
p2078
sS'CPD-18671'
p2079
S'CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p2080
sS'DIHYDROXYPIRIDIN-CPD'
p2081
S'C1(=CC(O)=C(O)C=N1)'
p2082
sS'CPD-5944'
p2083
S'CC2(=NC1(=C(C=CC=C1)C=C2))'
p2084
sS'LI+'
p2085
S'[Li+]'
p2086
sS'PHENYLETHYLAMINE'
p2087
S'C([N+])CC1(=CC=CC=C1)'
p2088
sS'MG-PROTOPORPHYRIN'
p2089
S'C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(CCC(=O)[O-])C(N56)=C7))))8))))'
p2090
sS'SE-2'
p2091
S'[Se--]'
p2092
sS'CPD-244'
p2093
S'CC(C)[N+]([O-])=O'
p2094
sS'CPD-18882'
p2095
S'CCCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2096
sS'CPD0-1330'
p2097
S'CC(C(NC(C([O-])=O)CCC(=O)[O-])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(OP([O-])(=O)[O-])C(NC(=O)C)1)'
p2098
sS'CPD0-1331'
p2099
S'CC(C(NC(CCC(=O)[O-])C([O-])=O)=O)NC(=O)C(C)OC1(C(NC(=O)C)C(OC(CO)C(O)1)OP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(O)C(O2)N3(CCC(=O)NC(=O)3)))'
p2100
sS'CPD0-1336'
p2101
S'C([O-])(=O)C(N)C#N'
p2102
sS'CPD0-1337'
p2103
S'CC(OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(CCC(=O)NC(=O)2)))C(NC(C)=O)3))C(=O)[O-]'
p2104
sS'CPD0-1335'
p2105
S'C([O-])(=O)C([N+])CF'
p2106
sS'CPD-12994'
p2107
S'C([CH]2(NC1(C(NC(=NC=1NC2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)=O)=O)C=C3)'
p2108
sS'CPD-12995'
p2109
S'C([CH]2(NC1(C(NC(=NC=1NC2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)=O)C=C3)'
p2110
sS'CPD0-1338'
p2111
S'CC(C([O-])=O)OC3(C(NC(=O)C)C(OP(OP(OCC2(OC(N1(C(=O)NC(=O)C=C1))C(O)C(O)2))(=O)[O-])(=O)[O-])OC(CO)C(O)3)'
p2112
sS'2-ALPHA-HYDROXYETHYL-THPP'
p2113
S'CC2(=C(SC(C(C)O)=[N+](CC1(C=NC(C)=NC(N)=1))2)CCOP(=O)([O-])OP(=O)([O-])[O-])'
p2114
sS'CPD-12990'
p2115
S'C(C1(C=CCC2([CH]1NC3(CC=CC(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p2116
sS'CPD-12993'
p2117
S'C(=O)([O-])COC'
p2118
sS'SHIKIMATE-5P'
p2119
S'C(=O)([O-])C1(=CC(OP(=O)([O-])[O-])C(O)C(O)C1)'
p2120
sS'1-KETO-2-METHYLVALERATE'
p2121
S'CCC(O)(C)C(C([O-])=O)O'
p2122
sS'5-HYDROXYINDOLE_ACETATE'
p2123
S'C1(C(O)=CC2(=C(C=1)NC=C2CC(=O)[O-]))'
p2124
sS'COLUMBAMINE'
p2125
S'COC1(C=CC3(=C(C(OC)=1)C=[N+]4(CCC2(=CC(OC)=C(O)C=C2C(=C3)4))))'
p2126
sS'2-METHYLPROPANAL-O-METHYLOXIME'
p2127
S'CC(C)C=NOC'
p2128
sS'CPDQT-39'
p2129
S'CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p2130
sS'CPD-15411'
p2131
S'C1(NC(=[N+])N[CH]1CC(C(=O)[O-])[N+])'
p2132
sS'CPD-15412'
p2133
S'C1(NC(=[N+])N[CH]1C(O)C(C(=O)[O-])[N+])'
p2134
sS'CPD-15414'
p2135
S'C1(NC(NC(C1)C(N)C([O-])=O)=[N+])'
p2136
sS'CPD-15415'
p2137
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C(C)3)))=O)'
p2138
sS'CPD-15416'
p2139
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C3)))=O)'
p2140
sS'CPD-15417'
p2141
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC4(=C(C([O-])=2)C=CC(OC3(OC(C)(C)C(OC)C(OC(N)=O)C(O)3))=C(C)4)))=O)'
p2142
sS'CPD-15418'
p2143
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)(C)C(O)C(O)C(O)3)))'
p2144
sS'CPD-15419'
p2145
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC4(=C(C([O-])=2)C=CC(OC3(OC(C)(C)C(OC)C(O)C(O)3))=C(C)4)))=O)'
p2146
sS'CPD-18906'
p2147
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](OC(N)CC(C(=O)[O-])[N+])(O)(=O)(SCC([N+])C([O-])=O)SC=1C3(=NC4(=C(N[CH](O2)3)N=C(N)NC(=O)4))))'
p2148
sS'DIHYDROXY-BUTANONE-P'
p2149
S'CC(=O)C(O)COP(=O)([O-])[O-]'
p2150
sS'CPD-13931'
p2151
S'C1(C=CC(=CC=1)C(=O)C(C2(C=CC=CC=2))=O)'
p2152
sS'L-CANALINE'
p2153
S'C(CC([N+])C(=O)[O-])ON'
p2154
sS'NORSPERMIDINE'
p2155
S'C(CC[N+]CCC[N+])[N+]'
p2156
sS'CPD0-1918'
p2157
S'[As]1(O)(O[Sb](O)O[Sb](O)O1)'
p2158
sS'CPD0-1916'
p2159
S'CC(C(NC(SC1(C=CC=CC=1))C([O-])=O)=O)[N+]'
p2160
sS'CPD-18886'
p2161
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(=CC)C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p2162
sS'CPD-41'
p2163
S'C(CCC1(CC([O-])=O)(C(=O)O[Mo]%11%12(O1)(S9([Fe]%13%14([C----]2378([Fe]6%10(S5([Fe]2(S4([Fe]3(S([Fe]45)6)S[Fe]7(S([Fe]89S%10)%11)S%12%13))S%14))))))))(=O)[O-]'
p2164
sS'CPD-9294'
p2165
S'C=CCSSCC(N)=O'
p2166
sS'CPD-9115'
p2167
S'C1(=CC=C(C(=C1)[N+](=O)[O-])OC2(C(C(C(C(CO)O2)O)O)O))'
p2168
sS'CPD-9442'
p2169
S'CC(C)=CCC1(=C3(C(=C(C=C1[O-])O)C(CC(C2(C=CC(=CC(O)=2)O))O3)=O))'
p2170
sS'CPD-9117'
p2171
S'C([OH])C2(C([OH])C([OH])C([OH])C(OC1(=CC=CC=C1))O2)'
p2172
sS'CPD-9440'
p2173
S'CC(=CCC1(=C(O)C=C(O)C2(C(=O)CC(OC1=2)C3(=CC=C(O)C=C3))))C'
p2174
sS'2-PROPENYL-GLUCOSINOLATE'
p2175
S'C=CCC(=NOS(=O)(=O)[O-])SC1(C(O)C(O)C(O)C(CO)O1)'
p2176
sS'CPD-9446'
p2177
S'C(O)C1(OCC(O)C(O)C(O)1)'
p2178
sS'CPD-9445'
p2179
S'CC(=CC1(C(COP(=O)([O-])OP(=O)([O-])[O-])C1(C)C))C'
p2180
sS'CPD-9112'
p2181
S'C(Cl)=CCCl'
p2182
sS'CPD-9449'
p2183
S'CC(C)(C(O)C(NCCC(=O)NCCSC(=O)CC(O)C(=O)[O-])=O)COP(OP(=O)([O-])OCC3(C(OP(=O)([O-])[O-])C(O)C(N1(C2(=C(N=C1)C(N)=NC=N2)))O3))([O-])=O'
p2184
sS'ENT-COPALYL-DIPHOSPHATE'
p2185
S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p2186
sS'CPD-9293'
p2187
S'C=CC=S'
p2188
sS'CADAVERINE'
p2189
S'C([N+])CCCC[N+]'
p2190
sS'CPD0-1910'
p2191
S'COC(C=CC(NCC(C(NC(C(=O)[O-])CC1(C=CC=CC=1))=O)[N+])=O)=O'
p2192
sS'ATP'
p2193
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OP(=O)([O-])[O-])([O-])=O'
p2194
sS'CPD-15739'
p2195
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C([O-])=O)4)O)=O)O))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p2196
sS'CPD0-1911'
p2197
S'CC(C)C(C(=O)[O-])NC(C(CNC(C=CC(=O)OC)=O)[N+])=O'
p2198
sS'CPD0-1236'
p2199
S'C(=O)(NCC(C(=O)[O-])[N+])C=CC(=O)OC'
p2200
sS'CPD0-1234'
p2201
S'CCC(C)C(C1(N=N[N-]N=1))[N+]'
p2202
sS'CPD-15735'
p2203
S'CC5(C(O)C([N+])CC(OC4(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3CC(C(O)C)(C4)O)O)=O)OC))=O))O)))O5)'
p2204
sS'CPD-15734'
p2205
S'CC5(C(O)C([N+])CC(OC4(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3CC(C(=O)C)(C4)O)O)=O)O))=O))O)))O5)'
p2206
sS'CPD0-1663'
p2207
S'C(NC(=[N+])N)CCC(C(F)F)(N)C([O-])=O'
p2208
sS'CPD-15881'
p2209
S'CC3(C2(CCC(C)(COC1(OC(CO)C(O)C(O)C(O)1))O2)O[CH]4([CH]3C5(C)([CH](C4)[CH]6([CH](CC5)C%10(C)(C(=CC6)CC(OC9(OC(CO)C(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(C)C(O)C(O)C(O)8))9))CC%10)))))'
p2210
sS'CPD-12406'
p2211
S'CSCCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p2212
sS'CPD-15880'
p2213
S'CC2(C1(CCC(C)(CO)O1)O[CH]3([CH]2C4(C)([CH](C3)[CH]5([CH](CC4)C%10(C)(C(=CC5)CC(OC9(OC(CO)C(OC7(OC(CO)C(O)C(OC6(OC(C(O)C(O)C(O)6)CO))C(O)7))C(O)C(OC8(OC(C)C(O)C(O)C(O)8))9))CC%10)))))'
p2214
sS'S-N-METHYLCANADINE'
p2215
S'C[N+]34([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC5(C=CC(=C(C(C4)=5)OC)OC))'
p2216
sS'CPD-15887'
p2217
S'C1(C(=CC(O)=C(C=1)O)CCO)'
p2218
sS'CPD-642'
p2219
S'CC1(=C5([N+]C(=CC4(=NC(=CC3(NC(CC2(NC1=C(CC(=O)[O-])C(CCC(=O)[O-])=2))=C(CCC(=O)[O-])C(CC(=O)[O-])=3))C(CCC(=O)[O-])C(C)(CC(=O)[O-])4))C(CCC(=O)[O-])C(C)(CC(=O)[O-])5))'
p2220
sS'CPD-15364'
p2221
S'CCCCCCC(O)CC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p2222
sS'CPD-498'
p2223
S'C=C1(C2(CC3(C1)(C([CH]4(C(C([O-])=O)(C)CC(=O)C=C([CH](CC2)3)4))C([O-])=O)))'
p2224
sS'CPD-499'
p2225
S'CC(O)(CCOP(=O)([O-])[O-])CC(=O)[O-]'
p2226
sS'CPD-12405'
p2227
S'CSCCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p2228
sS'CPD-490'
p2229
S'C1(C(C(C(CO1)O)O)O)OP([O-])([O-])=O'
p2230
sS'CPD-491'
p2231
S'CC(C)=CCCC(=CCCC(=CCOP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)C)C'
p2232
sS'CPD-492'
p2233
S'C(CCCNP([O-])(=O)[O-])NC(N)=[N+]'
p2234
sS'CPD-15732'
p2235
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C4)O)=O)O))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p2236
sS'CPD-495'
p2237
S'C(OP([O-])([O-])=O)=O'
p2238
sS'CPD-496'
p2239
S'C(O)C(O)C(O)C(O)COP(=O)([O-])[O-]'
p2240
sS'CPD-497'
p2241
S'C1(=C(C(=O)NC(=O)N1)C2(OC(CO)C(O)C(O)2))'
p2242
sS'CPD-13714'
p2243
S'CC(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)C'
p2244
sS'CPD-13717'
p2245
S'C([Se]CC(C([O-])=O)[N+])CC([N+])C(=O)[O-]'
p2246
sS'CPD-13711'
p2247
S'CC12(CCC(=O)C(CCC(=O)[O-])[CH](CCC(=O)1)2)'
p2248
sS'CPD-15360'
p2249
S'CC(C)=CCNC2(C1(N=CN(C=1N=C(S)N=2)C3(OC(COP(O[a'
p2250
sS'CPD-13713'
p2251
S'C(OP(=O)([O-])O[Se](=O)(=O)O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p2252
sS'CPD-14603'
p2253
S'CC(CCC(OCCN1(CCOCC1))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)'
p2254
sS'CPD-15361'
p2255
S'CCCCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2256
sS'CPD-13719'
p2257
S'C[Se+](C)CCC[N+]'
p2258
sS'CPD-11892'
p2259
S'CC3(=CN(C2(OC(COP(OP(OC1(CC(C(=O)[O-])(O)C(O1)C))([O-])=O)([O-])=O)C(C2)O))C(NC(=O)3)=O)'
p2260
sS'CPD-648'
p2261
S'C1(C=C(O)C=CC=1C(O)C#N)'
p2262
sS'CPD-14601'
p2263
S'CC(CCC([O-])=O)=CCC1(=C(C(C)=C2(COC(=O)C(=C(O)1)2))OC)'
p2264
sS'CPD-11846'
p2265
S'C([O-])(=O)CCC(NC(=O)C1(=CC=CC=C1))C(=O)[O-]'
p2266
sS'CPD-18581'
p2267
S'CCCCCCCCC(C)CCCCCCCCC(=O)[O-]'
p2268
sS'CPD-18580'
p2269
S'CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(OC)CC'
p2270
sS'CPD-142'
p2271
S'C(C(C1(C=CC(O)=CC=1))=O)(=O)[O-]'
p2272
sS'CPD-635'
p2273
S'C([O-])(=O)C1(C=CC(=C(C=1C([O-])=O)O)O)'
p2274
sS'CPD-636'
p2275
S'C([O-])(=O)C1(C=C(C(=CC=1C([O-])=O)O)O)'
p2276
sS'CPD-637'
p2277
S'CC1(C(=C(C=CC=1)O)C([O-])=O)'
p2278
sS'CPD-630'
p2279
S'CC(C)C[N+]'
p2280
sS'CPD-631'
p2281
S'CSCCC[N+]'
p2282
sS'CPD-144'
p2283
S'C(O[N+](=O)[O-])C(O[N+](=O)[O-])CO'
p2284
sS'CPD-145'
p2285
S'C(O[N+](=O)[O-])C(O)CO[N+](=O)[O-]'
p2286
sS'CPD-148'
p2287
S'CCCCCCCC'
p2288
sS'CPD-149'
p2289
S'C(=O)([O-])CCC(C(=O)[O-])=CC([O-])=O'
p2290
sS'CPD-638'
p2291
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OCC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p2292
sS'CPD-639'
p2293
S'CC(C[N+](C)(C)C)O'
p2294
sS'CPD-8246'
p2295
S'CC(=CCCC([CH]1(CCC(=CC1)C))=C)C'
p2296
sS'CPD-8247'
p2297
S'CC(=CCCC(C1(CCC(C=C1)=C))C)C'
p2298
sS'CPD-8244'
p2299
S'CC2(=CC=C(C1(C)(CCCC1(C)C))C=C2)'
p2300
sS'CPD-8245'
p2301
S'CC2(CCC1(C(C)=CCCC1(C)C)(CC=2))'
p2302
sS'CPD-8242'
p2303
S'CC(=CCCC(C1(CC=C(C=C1)C))C)C'
p2304
sS'CPD-8243'
p2305
S'CC2(=CC=C(C1(C)(C(C)(C)CCC1))CC2)'
p2306
sS'CPD-8792'
p2307
S'CC(C)C2([CH]1([CH](CCC(C)=C1)C(=C)CC2))'
p2308
sS'CPD-8241'
p2309
S'CC2(CCC1(C(=C)CCCC1(C)C)(CC=2))'
p2310
sS'DINITRO-L-TYROSINE'
p2311
S'C(=O)([O-])C([N+])CC1(=CC([N+]([O-])=O)=C(O)C([N+](=O)[O-])=C1)'
p2312
sS'CPD-15369'
p2313
S'CCCCCCC(O)CC=CCCCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p2314
sS'CPD-8799'
p2315
S'CC(C)C2(C1(C(CCC(C)=C1)C(C)=CC2))'
p2316
sS'CPD-8248'
p2317
S'C=C2(CCC(C1(C)(C(C)(C)CCC1))C=C2)'
p2318
sS'CPD-8249'
p2319
S'C(C1(OC(C(C(C1O)O)O)OCC2(OC(C(C(C2O)O)O)OCC3(OC(C(C(C3O)O)O)O))))O'
p2320
sS'CPD-11419'
p2321
S'C([O-])(=O)C3(=CC=C2(C1(C(O)C(O)C(O)O1)CCC(=O)C2=C3))'
p2322
sS'CPD-5302'
p2323
S'CC(C=CC(C([CH]2(C3(CC(C4([CH]1(C=C(C(C(C1=CC[CH](C(CC2O)3C)4)(C)C)O)O))C)=O)C))(O)C)=O)(C)O'
p2324
sS'CPD-5303'
p2325
S'CC(C=CC(C(C2(C3(CC(C4([CH]1(C=C(C(C(C1=CC[CH](C(CC2O)3C)4)(C)C)=O)[O-]))C)=O)C))(O)C)=O)(C)O'
p2326
sS'CPD-11414'
p2327
S'C[CH]1(CCC3(=C1C[CH]2(C(C(C)(CC2)3)(C)C)))'
p2328
sS'CPD-11415'
p2329
S'C[CH]2(CCC13(C(C)(C)[CH](C[CH]12)CCC(=C)3))'
p2330
sS'CPD-11410'
p2331
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C=C3))'
p2332
sS'CPD-11411'
p2333
S'C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(=CC(I)=C(C(I)=C2)OC3(C=C(I)C(O)=C(I)C=3))'
p2334
sS'CPD-11412'
p2335
S'C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))'
p2336
sS'CPD-11413'
p2337
S'CC2(CCC13(C(C)(C(CC12)CC=C(C)3)C))'
p2338
sS'CPD-12504'
p2339
S'C(C2(C(C(C(N1(C=NC(C(N)=O)=C1O))O2)O)O))O'
p2340
sS'BETA-CYCLOPIAZONATE'
p2341
S'CC(=CCC3(C2(=C(NC=C(CC1(NC(C(C1=O)=C(C)[O-])=O))2)C=CC=3)))C'
p2342
sS'CPD-17477'
p2343
S'CCC=CCC=CCC=CCCCCC=CCCCC(=O)[O-]'
p2344
sS'CPD-17473'
p2345
S'CCCCCCCCCCCC=CCCC([O-])=O'
p2346
sS'CPD-8422'
p2347
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))=O'
p2348
sS'CPD-8423'
p2349
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))=O'
p2350
sS'CPD-8420'
p2351
S'CCCCCCCCC=CCCCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p2352
sS'CPD-8421'
p2353
S'CCCCCCCCCCCCCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p2354
sS'CPD-17478'
p2355
S'C2(C=C(OC1(C(C(C(O)C(O1)CO)O)O))C=CC=2C(OO)[CH]3(OC4(C(C(=O)3)=CC=C(O)C=4)))'
p2356
sS'CPD-17479'
p2357
S'C5(C=C4(C(=O)[CH](C3(OC2(C=C[CH](OC1(C(C(C(O)C(O1)CO)O)O))C=C2)3))OC4=CC(O)=5))'
p2358
sS'CPD-8424'
p2359
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))=O'
p2360
sS'CPD-8425'
p2361
S'CCC=CCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))=O'
p2362
sS'CPD-13364'
p2363
S'C(=O)([O-])CC(NO)C(=O)[O-]'
p2364
sS'CPD-13365'
p2365
S'CCCCCCCCCCCCCCCCC(=O)NC3(CC(O)C(O)NO[CH]1(C(C(C)CN1C(=O)[CH]([CH](O)C)NC(=O)[CH](C(O)C(O)CC2(C=CC(O)=CC=2))NC(=O)[CH]4(CC(O)CN(C(=O)[CH]([CH](O)C)NC(=O)3)4))O))'
p2366
sS'CPD-13360'
p2367
S'CC(C(NC(CCC(NC(CCCC(C([O-])=O)[N+])C([O-])=O)=O)C([O-])=O)=O)NC(C(C)OC1(C(C(O)OC(CO)C1OC2(C(C(C(C(CO)O2)O)O)NC(C)=O))NC(C)=O))=O'
p2368
sS'CPD-18629'
p2369
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC'
p2370
sS'EDTA'
p2371
S'C(C[N+](CC([O-])=O)CC([O-])=O)[N+](CC([O-])=O)CC([O-])=O'
p2372
sS'CPD-13368'
p2373
S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C)C=CC=O'
p2374
sS'3-HYDROXY-4H-PYRID-4-ONE'
p2375
S'C1(NC=CC(=O)C(O)=1)'
p2376
sS'CPD0-1557'
p2377
S'C(=O)(O)C(N)CC1(C=CCC=C1)'
p2378
sS'LIPOYL-AMP'
p2379
S'C1(SSC(C1)CCCCC(=O)OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)'
p2380
sS'CPD-8569'
p2381
S'C([R1])([N+])C(=O)O[R2]'
p2382
sS'CPD0-1941'
p2383
S'C[N+](C)CC(N)C([O-])=O'
p2384
sS'CPD0-1940'
p2385
S'CS(=O)(CCC(N)C(=O)O)=O'
p2386
sS'CPD0-1945'
p2387
S'CC([N+])C(=O)NC(C(N)=O)CCC(=O)[O-]'
p2388
sS'CPD0-1944'
p2389
S'CC([N+])C(NC(CC(=O)[O-])C(=O)[O-])=O'
p2390
sS'CPD0-1499'
p2391
S'C(CC([N+])C(=O)[O-])CC(NO)C(=O)[O-]'
p2392
sS'CPD0-1498'
p2393
S'C(CC([N+])C(=O)[O-])CC(NN)C(=O)[O-]'
p2394
sS'CPD0-1496'
p2395
S'[As]([O-][Na+])=O'
p2396
sS'CPD0-1493'
p2397
S'C(OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=CC=23)))'
p2398
sS'CPD0-1492'
p2399
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N2(N=C(C(=O)N)N=C2))'
p2400
sS'CPD0-1491'
p2401
S'C1(NN=C(N)N=1)'
p2402
sS'CPD0-1490'
p2403
S'CC1(C=CC=C(C(=O)[O-])C(N)=1)'
p2404
sS'SALUTARIDINOL'
p2405
S'C[N+]3(C1(C4(C(C2(=C(C1)C=CC(=C2O)OC))(CC3)C=C(C(C=4)O)OC)))'
p2406
sS'D-ALLOSE-6-PHOSPHATE'
p2407
S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)C(O)C=O'
p2408
sS'CPD-16824'
p2409
S'C(C(=O)[O-])NC(=O)C=CC1(=CC=CC=C1)'
p2410
sS'L-CYSTATHIONINE'
p2411
S'C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O'
p2412
sS'CPD-16353'
p2413
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC'
p2414
sS'CPD-18273'
p2415
S'CC(C(CC(=O)C([O-])=O)=O)=CC([O-])=O'
p2416
sS'CPD-16879'
p2417
S'CC(NC3(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)OC(C(C3O)OC(C)=O)CO))=O'
p2418
sS'CPD-18272'
p2419
S'CC1(C(O)=CC(C(=O)[O-])=C(O)C=1)'
p2420
sS'CPD-16877'
p2421
S'C(CC(N)=O)CC(=O)[O-]'
p2422
sS'CPD-16876'
p2423
S'C(=O)(C1(O)(NC(CC1)=O))[O-]'
p2424
sS'CPD-16873'
p2425
S'CC(OP(=O)([O-])[O-])(CCO)CC(=O)[O-]'
p2426
sS'CPD-18903'
p2427
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(O)C(O)C(OP([O-])([O-])=O)1)'
p2428
sS'CPD-16871'
p2429
S'CCC(=O)C1(C=CC(O)=CC=1)'
p2430
sS'CPD-16870'
p2431
S'C2(CC1(C=C5(OCOC(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(CN23)4)))5)))'
p2432
sS'HISTIDINOL'
p2433
S'C1(NC=NC=1CC(CO)[N+])'
p2434
sS'18-OXOOLEATE'
p2435
S'C(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p2436
sS'CPD-18902'
p2437
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p2438
sS'CPD-16354'
p2439
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCCCCCC'
p2440
sS'CPD-12149'
p2441
S'CCC(C)C([N+])C(=O)[O-]'
p2442
sS'CPD-14938'
p2443
S'COC1(=CC(=CC(OC)=C(O)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C(OC)=2)=3)))'
p2444
sS'CPD-16355'
p2445
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p2446
sS'CPD-12143'
p2447
S'C(=O)([R2])C(N[R1])CCCCNC1(=CC(=[O-])C(=O)C=C(CC(N[R3])C(=O)[R4])1)'
p2448
sS'QUERCETIN-34-BISSULFATE'
p2449
S'C1(C=C(OS(=O)(=O)[O-])C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)))'
p2450
sS'CPD-14939'
p2451
S'COC1(=CC(=CC(O)=C(O)1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OC)=2)=3)))'
p2452
sS'GDP'
p2453
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p2454
sS'ALPROSTADIL'
p2455
S'CCCCCC(O)C=CC1(C(O)CC(=O)C(CCCCCCC(=O)[O-])1)'
p2456
sS'12-BIS34-DIMETHOXYPHENYLPROPANE-13-'
p2457
S'C(C(C1(=CC=C(C(=C1)OC)OC))C(C2(=CC=C(C(=C2)OC)OC))O)O'
p2458
sS'DIHYDRONEOPTERIN-P'
p2459
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP(=O)([O-])[O-])=2))'
p2460
sS'VITAMIN_D3'
p2461
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CCC(=C)3)O)))'
p2462
sS'CPD-18274'
p2463
S'CC1(C=CC(=CC(O)=1)C([O-])=O)'
p2464
sS'36-DICHLOROCATECHOL'
p2465
S'C1(C(Cl)=C(C(=C(Cl)C=1)O)O)'
p2466
sS'4-AMINO-5-IMIDAZOLE_CARBOXYLATE'
p2467
S'C1(NC(N)=C(C([O-])=O)[N+]=1)'
p2468
sS'CPD-9154'
p2469
S'C1(=CC(=CC=C1Cl)[N+]([O-])=O)'
p2470
sS'CPD-10435'
p2471
S'CCCS([O-])(=O)=O'
p2472
sS'CPD-10434'
p2473
S'CCS(=O)(=O)[O-]'
p2474
sS'CPD-10437'
p2475
S'CS(=O)(=O)C'
p2476
sS'CPD-7958'
p2477
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C)C(=O)C(CC2(C)C)O)'
p2478
sS'CPD-10431'
p2479
S'C(S(=O)(=O)[O-])CS(=O)(=O)[O-]'
p2480
sS'CPD-10430'
p2481
S'CCC(C(=O)[O-])C1(=CC=C(S(=O)(=O)[O-])C=C1)'
p2482
sS'CPD-10121'
p2483
S'CC1(C(NC(N(C=1)C2(CC(C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2)[N+]))=O)=O)'
p2484
sS'CPD-18908'
p2485
S'CC1(C=CC(=C(N)C(O)=1)C(=O)CC([N+])C([O-])=O)'
p2486
sS'CPD-7953'
p2487
S'CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C)C)C)C'
p2488
sS'CPD-7224'
p2489
S'CC(=O)NC(C([O-])=O)CCCNC(=O)N'
p2490
sS'CPD-7951'
p2491
S'CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C)C)C)C'
p2492
sS'CPD-7950'
p2493
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC'
p2494
sS'CPD-7957'
p2495
S'CC(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C)C(=O)C(CC2(C)C)O)'
p2496
sS'CPD-18279'
p2497
S'CC1(=CC(=CC(C=O)=C1)O)'
p2498
sS'CPD-10129'
p2499
S'C1(C(CO)OC(C1O)N3(C=NC2(C(N)=NC=NC=23)))'
p2500
sS'CPD-7954'
p2501
S'COC3(C=C(C2(OC1(C(=C(C=C(C=1C(C=2OC)=O)O)OC)OC)))C=CC=3O)'
p2502
sS'CPD-17911'
p2503
S'CC(OC(=O)C)C5(N(C1(CC3(OC(=O)1)(C4(=C(N2(C(=O)C(C)(C)NC23))C=CC=C4))))C(=O)C6(C=CC=CC(N=5)=6))'
p2504
sS'CPD-18278'
p2505
S'CC1(C=CC(C=O)=CC=1O)'
p2506
sS'CPD-18879'
p2507
S'CCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2508
sS'CPD-18878'
p2509
S'CC(=CCO)CCC2(C(C)(O)CCC1(C(C)(CCCC(C)(C)1)2))'
p2510
sS'CPD-18875'
p2511
S'CCC5(=C(CO)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2512
sS'CPD-18874'
p2513
S'CCC5(=C(CO)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2514
sS'CPD-18877'
p2515
S'CCCC5(=C(CO)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2516
sS'CPD-18876'
p2517
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)[O-])C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(CO)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p2518
sS'CPD-18871'
p2519
S'CCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2520
sS'CPD-18870'
p2521
S'CCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2522
sS'CPD-18873'
p2523
S'CCCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p2524
sS'CPD-18872'
p2525
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C=O)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p2526
sS'5-HYDROXYPENTANOATE'
p2527
S'C(CCO)CC(=O)[O-]'
p2528
sS'CPD-14932'
p2529
S'C2(C(CN(C=O)C1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))=NC3(C(=O)NC(N)=NC(N2)=3))'
p2530
sS'PYRAZINOIC-ACID'
p2531
S'C1(N=CC=NC=1C([O-])=O)'
p2532
sS'DCTP'
p2533
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O'
p2534
sS'D-BETA-D-HEPTOSE-17-DIPHOSPHATE'
p2535
S'C(OP([O-])(=O)[O-])C(O)[CH]1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p2536
sS'CPD-13469'
p2537
S'C(OP([O-])(=O)[O-])C1(OC(O)C([N+])C(O)C(O)1)'
p2538
sS'CPD-11271'
p2539
S'CC(=O)NCCC[N+]CCCC=O'
p2540
sS'R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE'
p2541
S'CC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NC(CS)C(=O)[O-]'
p2542
sS'DIHYDRO-THYMINE'
p2543
S'CC1(C(NC(=O)NC1)=O)'
p2544
sS'CPD0-2148'
p2545
S'CCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p2546
sS'CPD-4422'
p2547
S'[Cr](=O)(O)([O-])=[O-]'
p2548
sS'CPD-14650'
p2549
S'CC(C=CC=O)=CC=CO'
p2550
sS'CPD-17192'
p2551
S'CC(O)(C)C1(OC2(C(CO)(C(O)C1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p2552
sS'CPD0-2140'
p2553
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(CO)O)[O-])O'
p2554
sS'CPD0-2143'
p2555
S'CCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(CO)O)[O-])O'
p2556
sS'CPD0-2144'
p2557
S'CCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(CO)O)[O-])O'
p2558
sS'CPD0-2147'
p2559
S'CCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p2560
sS'5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE'
p2561
S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p2562
sS'OCTAPRENYL-METHYL-OH-METHOXY-BENZQ'
p2563
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(O)=C(O)1)'
p2564
sS'DIMETHYLSULFONIOACETATE'
p2565
S'C(C(=O)[O-])[S+](C)C'
p2566
sS'CPD-18299'
p2567
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(CC2(=CC=C(OC)C=C2))3))'
p2568
sS'CPD-18298'
p2569
S'COC1(=CC=C(CC([N+])C([O-])=O)C=C1)'
p2570
sS'CPD-18055'
p2571
S'CC=C(C(=O)[O-])C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(O)(CCO)NC(=O)1)2))C)C'
p2572
sS'R-2-HYDROXYSTEARATE'
p2573
S'CCCCCCCCCCCCCCCCC(O)C(=O)[O-]'
p2574
sS'CPD-18291'
p2575
S'CC1(C=C(C(=O)[O-])C=CC=1O)'
p2576
sS'CPD-18290'
p2577
S'CC1(C=C([CH]=O)C=CC=1O)'
p2578
sS'CPD-18293'
p2579
S'C(O)C1(C=C(C(=O)[O-])C=CC=1O)'
p2580
sS'CPD-18292'
p2581
S'C(=O)C1(C=C(C(=O)[O-])C=CC=1O)'
p2582
sS'CPD-18295'
p2583
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=CC=C2))3))'
p2584
sS'CPD-18294'
p2585
S'C(=O)([O-])C1(C=CC(=C(C(=O)[O-])C=1)O)'
p2586
sS'CPD-18297'
p2587
S'C1(C=CC(=CC=1)C2(=C([O-])C(=O)NC3(C2=CC=CC=3)))'
p2588
sS'PURINE'
p2589
S'C1(=NC=NC2(NC=NC1=2))'
p2590
sS'CPD-14736'
p2591
S'C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)'
p2592
sS'CPD-14737'
p2593
S'C=CCC3(=CC(=C(OC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O))C=C3)OC)'
p2594
sS'CPD-14734'
p2595
S'C1(OC(C(C(O)C1O)O)OCC3(C(O)C(O)C(O)C(OCC2(C=CC=CC=2))O3))'
p2596
sS'CPD-14735'
p2597
S'C1(OC(C(C(O)C1O)O)OCC3(C(O)C(O)C(O)C(OCCC2(C=CC=CC=2))O3))'
p2598
sS'CPD-14732'
p2599
S'C=CC(C)(CCC=C(C)C)OC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O)'
p2600
sS'2-AMINOMALONATE-SEMIALDEHYDE'
p2601
S'[CH](=O)C([N+])C(=O)[O-]'
p2602
sS'HYGROMYCIN-B'
p2603
S'C[N+]C4(CC([N+])C(O)C(OC2(OC(CO)C(O)C3(OC1(OC(C([N+])CO)C(O)C(O)C(O)1)(OC23))))C(O)4)'
p2604
sS'CPD-14731'
p2605
S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O))C)C'
p2606
sS'CPD-11648'
p2607
S'CC(=O)NC2(C=CN(C1(OC(CO)C(O)C(O)1))C(=O)N=2)'
p2608
sS'CPD-9778'
p2609
S'C([O-])(=O)CC(=O)CC(=O)[O-]'
p2610
sS'PROTOAPHIN-AGLUCONE'
p2611
S'CC5(OC(C)C(O)C4(=C(C1(=C([O-])C=C(O)C2(C(=O)C3(=C(C(=O)C1=2)C(O)C(C)OC(C)3))))C6(C=C(O)C=C(O)C(C(O)=C45)=6)))'
p2612
sS'CPD-10175'
p2613
S'C1(CO[CH]2([CH]1C3(C(O2)=CC4(=C(C(O)=3)C(=O)C5(=C(C(=O)4)C=C([O-])C=C(O)5)))))'
p2614
sS'CPD-13966'
p2615
S'CC(=O)C2(C(=O)C3(OC1(CC(O)C(O)C(C)O1))([CH](C(OC)C=2O)CC5(=C(C(=O)3)C(O)=C4(C(O)=CC(O)=CC4=C5))))'
p2616
sS'CPD-13967'
p2617
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C(C)(O)C2))O3))'
p2618
sS'CPD-13965'
p2619
S'CC(=O)C1(C(=O)C2(O)([CH](C(OC)C=1O)CC4(=C(C(=O)2)C(O)=C3(C(O)=CC(O)=CC3=C4))))'
p2620
sS'CPD-13962'
p2621
S'CC1(C(O)C([N+])CC(O1)OC2(CC(O)(C(=O)C)CC4(C2=C(O)C3(C(=O)C5(C(OC)=CC=CC(C(=O)C=3C=4O)=5)))))'
p2622
sS'CPD-13963'
p2623
S'CC1(OC(O)CC(O)C(O)1)'
p2624
sS'CPD-13960'
p2625
S'CC2(O[CH]1([CH](OC(=O)C1)C3(=C2C(=O)C4(=C(C(=O)3)C(O)=C5(C(=C(O)4)C6(C(C)O[CH]5CC(O)6)(O))))))'
p2626
sS'CPD-13961'
p2627
S'CC1(C(CCC(O1)OC7(CC6(C5(C(=C4(C(C3(=C(C(C)O[CH]2(CC(=O)O[CH]23))C(C4=C(C=5C(C(C)O6)7O)O)=O))=O))O))))O)'
p2628
sS'CPD-17805'
p2629
S'CCC=CC=CCCCCCCCCO'
p2630
sS'CPD-10177'
p2631
S'COC1(=C4(C(=C2([CH]3(CCO[CH](OC(=C1)2)3)))OC(=O)C5(C(CCC4=5)=O)))'
p2632
sS'CPD-18129'
p2633
S'C(O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p2634
sS'CPD-18128'
p2635
S'[CH](=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p2636
sS'CPD-18127'
p2637
S'[CH](=O)C=CC1(=CC(O)OC(C([O-])=O)=C1)'
p2638
sS'CPD-18126'
p2639
S'[CH](=O)C=CC(=C[CH]=O)C=C(O)C([O-])=O'
p2640
sS'CPD-19062'
p2641
S'C=CC(O)C'
p2642
sS'CPD-18120'
p2643
S'C(=O)C=CC1(=CC=C(O)C(O)=C1)'
p2644
sS'DMPBQ'
p2645
S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C(C)=C(C)C=1O)O))C)C'
p2646
sS'CPD-17800'
p2647
S'CC3(C1(OC2(C=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p2648
sS'CARBOXYMETHOXYLAMINE'
p2649
S'C(ON)C([O-])=O'
p2650
sS'CPD-17770'
p2651
S'C3(OC(C5(C=C(O)C(O)=C(O)C(C1(C(O)=C(O)C(O)=CC=1C(=O)OC4(C(O)C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)OC3C(O)4)))=5))=O)'
p2652
sS'CPD-7291'
p2653
S'C1(C(O)C(C([O-])=O)N1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p2654
sS'DIMP'
p2655
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p2656
sS'GERANYL-PP'
p2657
S'CC(=CCCC(=CCOP([O-])(OP(=O)([O-])[O-])=O)C)C'
p2658
sS'CPD-17775'
p2659
S'CC1(C(O)C3(N(C1)C(=O)C(C(O)C)NC(=O)C(NC(C2(N(CC(O)C2)C(=O)C(C(O)C)NC(C([N+])CC(O)C(O)NC3=O)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))'
p2660
sS'CPD-15998'
p2661
S'CC1(C(C=CC(O)(C)[CH](C(O)C)OC(=O)C(C)C(C(C)C1)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p2662
sS'CPD-17774'
p2663
S'C(=O)([O-])C2(C(C1(C(C([O-])=O)=CC(O)=C(O)C(O)=1))=C(O)C(O)=C(O)C=2)'
p2664
sS'P1P4-BIS5-NUCLEOSYL-TETRAPHOSPHATE'
p2665
S'C(OP(O)(=O)OP(OP(OP(OCC1(OC(C(C1O)O)[R2]))(O)=O)(O)=O)(O)=O)C2(C(O)C(O)C([R1])O2)'
p2666
sS'CPD-6141'
p2667
S'C[N+]CCC([O-])=O'
p2668
sS'CPD-48'
p2669
S'C(C(=O)[O-])C(O)C([N+])C(=O)[O-]'
p2670
sS'13-DIHYDROXY-N-METHYLACRIDONE'
p2671
S'CN2(C3(C=CC=CC(C(=O)C1(C(O)=CC(O)=CC=12))=3))'
p2672
sS'CPD-7298'
p2673
S'CSCC1(C(O)CC(OP(=O)([O-])[O-])O1)'
p2674
sS'CPD-42'
p2675
S'CC(CS[R])C(=O)[O-]'
p2676
sS'CPD-43'
p2677
S'C(C(C1(C=CC(=CC=1)Cl))C2(C=CC(=CC=2)Cl))(Cl)(Cl)Cl'
p2678
sS'CPD-15063'
p2679
S'C(=O)([O-])C1(OC(C(O)C(O)C(O)1)OC4(C(O)=C(O)C3(C(=O)C=C(C2(C=CC(O)=CC=2))OC=3C=4)))'
p2680
sS'CPD-15062'
p2681
S'CC1(C=C(O)C(OC)=C(OC)C(O)=1)'
p2682
sS'CPD-46'
p2683
S'CC(C)(CO)C(C(NCCC(=O)NC(C(=O)[O-])CS)=O)O'
p2684
sS'CPD0-1162'
p2685
S'CCCCCCCCC=CCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p2686
sS'CPD-44'
p2687
S'C(SCC(=O)[O-])C([N+])C(=O)[O-]'
p2688
sS'CPD0-1160'
p2689
S'CCCCCCC=CC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p2690
sS'7-CYANO-7-DEAZAGUANINE'
p2691
S'C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)'
p2692
sS'PHTHALATE'
p2693
S'C(C1(C=CC=CC(C([O-])=O)=1))([O-])=O'
p2694
sS'CPD-8605'
p2695
S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C=2[O-])=O)O)O)))C=C(C=3O)O)'
p2696
sS'5-OXOHEXANOATE'
p2697
S'CC(=O)CCCC([O-])=O'
p2698
sS'SUCCIMIDE'
p2699
S'C1(=O)(NC(=O)CC1)'
p2700
sS'CPD-7768'
p2701
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)=O'
p2702
sS'CPD-7769'
p2703
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)=O'
p2704
sS'CPDN-385'
p2705
S'C1(C=CC(O)=C(C=CC(=O)C(=O)[O-])C=1)'
p2706
sS'CPDN-384'
p2707
S'C(=O)([O-])C1(O)(C=CC2(C(O1)=CC=CC=2))'
p2708
sS'CPD-821'
p2709
S'C1(CCC([N+](C)(C)1)C([O-])=O)'
p2710
sS'CPD-7761'
p2711
S'CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p2712
sS'CPD-7762'
p2713
S'CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p2714
sS'CPD-7763'
p2715
S'CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p2716
sS'CPD-825'
p2717
S'C(CC[CH]=O)NC(N)=[N+]'
p2718
sS'CPD-824'
p2719
S'C(C(CCCNC(N)=[N+])=O)(=O)[O-]'
p2720
sS'CPD-7766'
p2721
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)=O'
p2722
sS'CPD-7767'
p2723
S'CCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCC)=O'
p2724
sS'CPD-16608'
p2725
S'CC1(=CC(C)=CC(=C1)O)'
p2726
sS'CPD-16609'
p2727
S'CC1(=CC(=C(C)C=C1)O)'
p2728
sS'CPD-1089'
p2729
S'C=C(C1(CC(C(=CC1)C)=O))C'
p2730
sS'CPD-1088'
p2731
S'CC(C)(C(C([O-])=O)O)C(=O)[O-]'
p2732
sS'CPD-1083'
p2733
S'CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2734
sS'CPD-1082'
p2735
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p2736
sS'CPD-16602'
p2737
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=CC(O)=C(O)C=2))=[O+]C6(C(C=3)=C([O-])C=C(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))C=6)))'
p2738
sS'CPD-16603'
p2739
S'C(O)C7(C(O)C(O)C(O)C(OC6(C=CC(C(OCC5(C(O)C(O)C(O)C(OC4(=CC([O-])=C3(C=C(OC1(C(O)C(O)C(O)C(CO)O1))C(C2(C=CC(O)=C(O)C=2))=[O+]C3=C4)))O5))=O)=CC=6))O7)'
p2740
sS'CPD-1087'
p2741
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)CC4(C(C)3CCC(=O)C=4))))'
p2742
sS'CPD-1086'
p2743
S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p2744
sS'CPD-16606'
p2745
S'CC3(C(C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)[N+])'
p2746
sS'CPD-16607'
p2747
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(OC1(C(C(C(C(O1)C)[N+])O)NC(C)=O))([O-])=O)([O-])=O)C)C)C)C)C)C)C'
p2748
sS'CPD-9300'
p2749
S'CCSCC([N+])C(=O)[O-]'
p2750
sS'CPD-12779'
p2751
S'CCCCCCCC(O)CC(=O)[O-]'
p2752
sS'CPD-4222'
p2753
S'C(O)C1(C(C(O)C(O)C(O1)OC6(C=CC4(=C(OC[CH]5(C3(=C(C=C2(C(OCO2)=C3))O[CH]45)))C=6)))O)'
p2754
sS'CPD-4223'
p2755
S'C4(OC1(C=C(C=CC=1[CH]5(OC3(=C(C=C2(C(OCO2)=C3))[CH]45)))OC6(C(O)C(C(O)C(COC(=O)CC(=O)[O-])O6)O)))'
p2756
sS'CPD-9304'
p2757
S'CC=CSO'
p2758
sS'CPD-8608'
p2759
S'CC(C)CCCC([CH]4(C1(C)(C(C=O)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p2760
sS'CPD0-1558'
p2761
S'C1(SC(CC(C(=O)[O-])[N+])=CC=1)'
p2762
sS'CPD-9307'
p2763
S'CC=CS(=O)CC([N+])C([O-])=O'
p2764
sS'CPD-12771'
p2765
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))2))C(O)3))C(O)C(O)4))C)C)C)C)C)C)C'
p2766
sS'CPD0-1554'
p2767
S'CCCC=C(C([O-])=O)OP([O-])([O-])=O'
p2768
sS'CPD0-1555'
p2769
S'CC=C(C([O-])=O)OP([O-])([O-])=O'
p2770
sS'CPD0-1552'
p2771
S'C1(C=CC(=CC=1)C(C2(C=CC(=CC=2)C(=O)OC3(C(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)OC(C3O)N5(C=NC4(C(N)=NC=NC=45)))))=O)'
p2772
sS'CPD-12775'
p2773
S'C1(NC=C(Cl)C=1C2(C(N)=C(Cl)C=CC=2))'
p2774
sS'CPD-12776'
p2775
S'C1(NC=C(Cl)C=1C2(C([N+](=O)[O-])=C(Cl)C=CC=2))'
p2776
sS'CPD-12777'
p2777
S'CCCCCCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O'
p2778
sS'PALMITATE'
p2779
S'CCCCCCCCCCCCCCCC([O-])=O'
p2780
sS'CPD-8655'
p2781
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(C=C(C(=CC2=3)OC4(C(C(C(C(O4)CO)O)O)O))O))C([O-])=O)'
p2782
sS'CPD-8654'
p2783
S'C(C=C1(CC(NC(C([O-])=O)=C1)C([O-])=O))=[N+]2(C(CC3(C=C(C(=CC2=3)O)OC4(C(C(C(C(O4)CO)O)O)O)))C([O-])=O)'
p2784
sS'CPD-15614'
p2785
S'CC(O)C(O)CC(O)C=O'
p2786
sS'CPD-8656'
p2787
S'C(C3(C(C(C(C(OC1(=CC2(CC(NC(C=C1O)=2)C([O-])=O)))O3)O)O)O))O'
p2788
sS'CPD-8651'
p2789
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=O'
p2790
sS'2-O-CAFFEOYLGLUCARATE'
p2791
S'C1(C=C(O)C(O)=CC(C=CC(=O)OC(C(=O)[O-])C(O)C(O)C(O)C(=O)[O-])=1)'
p2792
sS'CPD-8653'
p2793
S'C(=[N+]1(C(C([O-])=O)CC2(=C1C=C(O)C(O)=C2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)'
p2794
sS'CPD-8652'
p2795
S'C([O-])(=O)C1(NC2(=C(C1)C=C(O)C(O)=C2))'
p2796
sS'CPD-8659'
p2797
S'C(N=CC=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))CC2(C=C(C(=CC=2)O)O)'
p2798
sS'CPD-8658'
p2799
S'C(C=C1(CC([N+]C(=C1)C(=O)[O-])C([O-])=O))=[N+]2(C(CC3(C=C(C(=CC2=3)O)OC4(C(C(C(C(O4)CO)O)O)OC5(C(C(C(C(O5)C([O-])=O)O)O)O))))C([O-])=O)'
p2800
sS'CPD-18641'
p2801
S'CC7(CCC1(O[CH]6([CH](C(C)1)C5(C)([CH]([CH]4([CH](C3(C)([CH](CC(OC2(OC(CO)C(O)C(O)C(O)2))CC3)CC4))CC5))C6)))(NC7))'
p2802
sS'CPD-16468'
p2803
S'CC35([CH]2(C1(CC(O)([CH](C1)CC2)CO)CC[CH]3C4(=C(OC=C4)C=C5)))'
p2804
sS'NAD'
p2805
S'C1(C(=CC=C[N+]=1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)'
p2806
sS'CPD-16464'
p2807
S'CC(CCCC(C)C(=O)[O-])=C2(CC[CH]3([CH]4(CC=C1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p2808
sS'CPD-16465'
p2809
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CC=C4(CC(O)CCC(C)4[CH](CCC(C)56)7))))'
p2810
sS'CPD-16466'
p2811
S'CC24(CCC1(OC=CC=1[CH]2CCC35(CC(O)(CO)C(C3)CC[CH]45)))'
p2812
sS'CPD-16467'
p2813
S'C=C(C(=O)[O-])OC1(=CC=CC(C([O-])=O)=C1)'
p2814
sS'CPD-16460'
p2815
S'C(O)C4(OCC3(C(O)C(O)C(O)C(OC2(COC1(CO)(C(O)C(O)C(CO)O1))(C(O)C(O)C(CO)O2))O3))(C(O)C(O)C(CO)O4)'
p2816
sS'CPD-16461'
p2817
S'CCC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(=O)NC(CC[N+])C(NC1(CCNC(=O)C(C(C)O)NC(=O)C(CC[N+])NC(=O)C(CC[N+])NC(=O)C(C(O)C)NC(=O)C(CC(C)C)NC(=O)C(CC[N+])NC(=O)1))=O)C(C)O'
p2818
sS'CPD-16462'
p2819
S'CC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(C)O)C(=O)NC(CC[N+])C(=O)NC1(C(=O)NC(CC[N+])C(NC(C(NC(CC(C)C)C(=O)NC(C(=O)NC(CC[N+])C(NC(C(=O)NCC1)C(O)C)=O)CC[N+])=O)CC2(C=CC=CC=2))=O)'
p2820
sS'CPD-16463'
p2821
S'CCC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(O)C)C(=O)NC(CC[N+])C(=O)NC1(CCNC(=O)C(C(O)C)NC(=O)C(CC[N+])NC(=O)C(CC[N+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC[N+])NC(=O)1)'
p2822
sS'2-METHYL-BUTYRYL-COA'
p2823
S'CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2824
sS'CPD-14321'
p2825
S'C2(NC1(C(=CC=CC=1)C=2C3(=CC(=NC(=O)3)C4(C5(=C(NC=4)C=CC(O)=C5)))))'
p2826
sS'CPDQT-373'
p2827
S'COC1(C=C(C=C(OC)C(O)=1)C=CC(=O)OC2(C(O)C(O)COC2OC5(C(O)C(O)C(COC(=O)C=CC4(C=CC(OC3(OC(CO)C(O)C(O)C(O)3))=CC=4))OC5OC7(C(C6(=CC=C(O)C(O)=C6))=[O+]C9(=C(C=7)C(OC8(C(O)C(O)C(O)C(COC(=O)CC(=O)[O-])O8))=CC([O-])=C9)))))'
p2828
sS'ACETYLENE'
p2829
S'C#C'
p2830
sS'MOENOMYCIN'
p2831
S'CC(C)=CCCC(C)=CCC(=C)CCC(C)(C)C=CCCC(C)=CCOC(C([O-])=O)COP(=O)([O-])OC6(OC(C(O)(C)C(OC(=O)N)C(OC5(OC(COC1(C(O)C(C(O)C(CO)O1)O))C(OC4(OC(C(OC3(C(O)C(C(O)C(C(=O)NC2(=C(O)CCC(=O)2))O3)O))C(O)C(NC(=O)C)4)C))C(O)C(NC(=O)C)5))6)C(=O)[O-])'
p2832
sS'4-IMIDAZOLEACETATE'
p2833
S'C1(NC=C(CC(=O)[O-])N=1)'
p2834
sS'OCTAPRENYL-METHOXY-BENZOQUINONE'
p2835
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C)C)C)C'
p2836
sS'3-O-L-ALANYL-1-O-PHOSPHATIDYLGLYCEROL'
p2837
S'CC(C(OCC(COP([O-])(OCC(OC([R2])=O)COC([R1])=O)=O)O)=O)[N+]'
p2838
sS'CPD-18283'
p2839
S'CC=C(C)C=CC=CCC(C)CC(C)C=CC(=O)C1(C(=O)NC(CC(O)(C([O-])=O)C)C(=O)1)'
p2840
sS'421-DEHYDROGEISSOSCHIZINE'
p2841
S'C[CH]=C3(C=[N+]2(CCC4(C1(C=CC=CC=1NC([CH]2C[CH]3C(=CO)C(=O)OC)=4))))'
p2842
sS'LATIA-LUCIFERIN'
p2843
S'CC(=COC=O)CCC1(C(C)(C)CCCC(C)=1)'
p2844
sS'NA+'
p2845
S'[Na+]'
p2846
sS'CPD-11608'
p2847
S'CCC(C(C)C)CCC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2[CH]3CCC(C)45))))'
p2848
sS'CPD-10608'
p2849
S'C1(=CC(=O)OC(=CC(=O)[O-])1)'
p2850
sS'CPD-10609'
p2851
S'C1(=CC(O)C(O)C(=C1)Cl)'
p2852
sS'KOJIC-ACID'
p2853
S'C(C1(OC=C(C(C=1)=O)[O-]))O'
p2854
sS'CPD-10604'
p2855
S'C1(C(Cl)=CC(O)C(O)C=1Cl)'
p2856
sS'CPD-11602'
p2857
S'CC(C)C(C)C=CC(C)[CH]4(CC[CH]5(C3(=CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2[CH]3CCC(C)45))))'
p2858
sS'CPD-10603'
p2859
S'C1(C=C(Cl)C=C(C=1)Cl)'
p2860
sS'CPD-10600'
p2861
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p2862
sS'CPD-11606'
p2863
S'CCC(C(C)C)C=CC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2[CH]3CCC(C)45))))'
p2864
sS'CPD-18462'
p2865
S'CC3(C(C(C(NC(C)=O)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))O3)O)[N+])'
p2866
sS'CPD-11950'
p2867
S'C([N+])CC[N+]CCCNC(=O)C1(=CC=CC(O)=C1O)'
p2868
sS'CPD-11953'
p2869
S'C([N+])CCCCNO'
p2870
sS'CPD-18461'
p2871
S'C(O)C1(C(C(C(O)C(O)O1)O)O)'
p2872
sS'CPD-14127'
p2873
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p2874
sS'CPD-14126'
p2875
S'CC(=O)NC1(C(O)C(O)C(CO)OC1OC2(C([N+])CC(C(C2O)O)[N+]))'
p2876
sS'CPD-18464'
p2877
S'CC(O)C(NC(=O)C)[CH]3(C(C(CC(OP(OCC1(C(C(C(O1)N2(C=CC(=NC2=O)N))O)O))([O-])=O)(C([O-])=O)O3)O)NC(C)=O)'
p2878
sS'CPD-11956'
p2879
S'C([N+])CCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)[O-])O'
p2880
sS'CPD-11959'
p2881
S'CC(N(CCCCC[N+])O)=O'
p2882
sS'CPD-14129'
p2883
S'C([O-])(=O)C1(C=CC(N)=C(O)C=1)'
p2884
sS'CPD-14128'
p2885
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p2886
sS'CPD-17739'
p2887
S'CCCCCC=CCC=CCCCCCCCC(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NCCC3)=O))=O)C(O)CC4(=CC=C(O)C=C4)))=O)'
p2888
sS'CPD-17738'
p2889
S'CCC(C)CC(C)CCCCCCCCC(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)CC(=O)N)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))=O)'
p2890
sS'CPD-17737'
p2891
S'CCCCCOC1(C=CC(=CC=1)C2(ON=C(C=2)C7(C=CC(C(=O)NC5(C(NC(C(O)C)C(=O)N3(C(CC(O)C3)C(=O)NC(C(NC(C(O)CC(N)=O)C(=O)N4(C(C(O)C(C)C4)C(NC(O)C(O)C5)=O))=O)C(O)C(O)C6(=CC=C(O)C(OS(=O)(=O)O)=C6)))=O))=CC=7)))'
p2892
sS'CPD-17736'
p2893
S'CCC(C)CC(C)CCCCCCCCC(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)CCN)C(=O)N2(C(C(O)CC2)C(NC(NCCN)C(O)C3)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))=O)'
p2894
sS'CPD-17735'
p2895
S'CCCCCOC7(C=CC(C6(C=CC(C5(C=CC(C(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))=O))=CC=5))=CC=6))=CC=7)'
p2896
sS'CPD-17734'
p2897
S'CCCCCCCCOC5(=CC=C(C(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)C(O)C4(=CC=C(O)C=C4)))=O))C=C5)'
p2898
sS'CPD-17731'
p2899
S'CCCCCC=CCC=CCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p2900
sS'CPD-17730'
p2901
S'C([O-])(=O)C([N+])C(O)CC1(=CC=C(C=C1)O)'
p2902
sS'RED-COENZYME-F420'
p2903
S'CC(C(=O)NC(C([O-])=O)CCC(=O)NC(C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(=C(C(=O)NC(=O)N1)CC2(=CC=C(O)C=C23)))'
p2904
sS'BUTYL-HYDROPEROXIDE'
p2905
S'CC(C)(OO)C'
p2906
sS'4-HYDROXYBENZALDEHYDE'
p2907
S'[CH](C1(C=CC(O)=CC=1))=O'
p2908
sS'CPD-14387'
p2909
S'CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(C)=CC(O)C(O)C=C(C=CC=C(C=CC2(=C(CCCC2(C)C)C))C)C'
p2910
sS'CPD-14386'
p2911
S'CC(C=CC1(C(C)(C)CCCC=1C))=CC=CC(C)=CC2(OC2C=C(C=CC=C(C=CC3(=C(CCCC(C)(C)3)C))C)C)'
p2912
sS'CPD-18604'
p2913
S'CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)[O-]'
p2914
sS'CPD-18605'
p2915
S'CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCO'
p2916
sS'ALPHA-CYCLOPIAZONATE'
p2917
S'CC(=C2(C(N1(C(C5(C(C1C2=O)C3(C4(=C(NC=3)C=CC=C4C5))))(C)C))=O))[O-]'
p2918
sS'CPD-6968'
p2919
S'C[N+](C)(CCCl)C'
p2920
sS'CPD-14381'
p2921
S'C(=O)([O-])C1(C=CCC=C1)'
p2922
sS'CPD-14380'
p2923
S'COC1(C=CC=CC(C(=O)[O-])=1)'
p2924
sS'CPD-6965'
p2925
S'COC1(C=C(C=C(C=1)CCC2(C=CC=CC=2))O)'
p2926
sS'CPD-6964'
p2927
S'COC1(C=C(C=C(C=1)C=CC2(C=CC=CC=2))O)'
p2928
sS'CPD-6967'
p2929
S'CC(C)C1(=C(C=C(C(=C1)[N+](C)(C)C)C)OC(=O)N2(CCCCC2))'
p2930
sS'CPD-6966'
p2931
S'CCCC[P+](CCCC)(CCCC)CC1(C(=CC(=CC=1)Cl)Cl)'
p2932
sS'CPD-6961'
p2933
S'C1(C=C(O)C=CC=1C7(C5(C2(C=C(O)C=C3(C=2C(C(O3)C4(C=CC(O)=CC=4))C8(C9(C(C6(=C5C(=CC(O)=C6)O7))C(OC(C=C(C=8)O)=9)C%10(=CC=C(O)C=C%10))))))))'
p2934
sS'CPD-6960'
p2935
S'C(C1(C=CC(=CC=1)O))=CC3(=CC(=CC4(OC(C(C2(C=C(C=C(C=2)O)O))C3=4)C5(=CC=C(C=C5)O)))O)'
p2936
sS'CPD-14389'
p2937
S'C[N+]2([CH]3(CC(OC(C1(C=CC=CC=1))=O)C(C([O-])=O)[CH]2CC3))'
p2938
sS'CPD-6962'
p2939
S'C1(C=C(O)N=C(O)C=1C(=O)[O-])'
p2940
sS'CPD-3301'
p2941
S'C1(C=CC2(C(=O)C3(C(O)=CC=CC(C(=O)C(C=1)=2)=3)))'
p2942
sS'BETA-D-MANNOSYLPHOSPHODECAPRENOL'
p2943
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1)'
p2944
sS'CPD-9995'
p2945
S'C(CC[N+])[N+]CCC([N+])C([O-])=O'
p2946
sS'CPD-14070'
p2947
S'C=CCC1(C=CC(=CC=1)OC2(C(O)=C(O)C=C(CC=C)C=2))'
p2948
sS'5-ISOBUTYLTHIORIBOSE'
p2949
S'CC(CSCC(C(C(C=O)O)O)O)C'
p2950
sS'GLYCYRRHIZINATE'
p2951
S'CC5(C(CCC2(C(CCC3(C)(C4(C)(CCC1(CCC(C)(C([O-])=O)CC1C(=CC(=O)C23)4)(C))))5)(C))OC7(OC(C(O)C(O)C(OC6(OC(C(O)C(O)C(O)6)C([O-])=O))7)C([O-])=O))(C)'
p2952
sS'CPD-9991'
p2953
S'CC(C(C)(C)C1(=NC(C(=O)[O-])(C)CS1))C2([N+]C(SC2)C4(CSC(C3(C(O)=CC=CC=3))=N4))'
p2954
sS'CPD-329'
p2955
S'C(C(O)[CH]1(OC(=O)C(O)C(=O)1))O'
p2956
sS'CPD-14074'
p2957
S'C1(CC=C(C([O-])=O)CN=1)'
p2958
sS'CPD0-1319'
p2959
S'CC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p2960
sS'CPD-14077'
p2961
S'C1(CC=C([N+](C)1)C2(C=NC(O)=CC=2))'
p2962
sS'P4I'
p2963
S'[O-]P(OP(=O)(OP([O-])(=O)OP(=O)([O-])[O-])[O-])([O-])=O'
p2964
sS'ASPULVINONE-E'
p2965
S'C1(C(=CC=C(C=1)O)C=C3(OC(C(C2(C=CC(O)=CC=2))=C3[O-])=O))'
p2966
sS'CPD0-1310'
p2967
S'C(O)CC(=O)C(=O)[O-]'
p2968
sS'CPD0-1311'
p2969
S'C2(=NC(=O)N(C1(OC(CO)C(O)C(O)1))C=C(F)2)'
p2970
sS'CPD0-1312'
p2971
S'C2(=NC(=O)N(C1(OC(CO)C(O)C(O)1))C=C2)'
p2972
sS'CPD0-1313'
p2973
S'COC(C[Hg])CNC(C1(C=CC=CC=1OCC(=O)[O-]))=O'
p2974
sS'CPD0-1314'
p2975
S'C(Br)C(=O)COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p2976
sS'CPD0-1315'
p2977
S'C(Cl)C(=O)COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p2978
sS'CPD0-1316'
p2979
S'C(F)C(O)C(O)C(=O)CO'
p2980
sS'CPD-12972'
p2981
S'CC(C)CC([N+])C(=O)NC(=C)P(=O)([O-])O'
p2982
sS'CPD-12973'
p2983
S'CC(C)CC(NC(=O)C[N+])C(NC(=C)P(=O)([O-])O)=O'
p2984
sS'CPD-15650'
p2985
S'CCCCCCC=CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2986
sS'CPD-15651'
p2987
S'CCCCCCC=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2988
sS'CPD-15656'
p2989
S'CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2990
sS'CPD-12977'
p2991
S'CC(=O)C1(C(=O)CCCC1)'
p2992
sS'CPD-12974'
p2993
S'CC(C)CC(NC(=O)C[N+])C(NC(=C)P([O-])(OC)=O)=O'
p2994
sS'CPD0-621'
p2995
S'CC(CCO)=CC4(=O[Fe]1235(O=C(C=C(C)CCO)N(O1)CCC(NC(C)=O)CC(=O)OCCC(C)=CC(=O2)N(O3)CCCC6(NC(=O)C(CCCN4O5)NC(=O)6)))'
p2996
sS'CPD-15658'
p2997
S'CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p2998
sS'CPD-15659'
p2999
S'CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3000
sS'BETA-L-ARABINOSE'
p3001
S'C1(C(C(C(C(O1)O)O)O)O)'
p3002
sS'CPD-9889'
p3003
S'COC2(C=C(OC)C(OC)=C(OC)C(C(=O)C=CC1(C=CC=CC=1))=2)'
p3004
sS'ISOQUINOLIN-12H-ONE'
p3005
S'C1(C=CC2(=C(C=1)C=CN=C2O))'
p3006
sS'CPD-15388'
p3007
S'CC1(N=C4(N(C(C)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N4)))'
p3008
sS'CPD-15389'
p3009
S'CC1(N=C4(N(C(C)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N(C)4)))'
p3010
sS'TROPINONE'
p3011
S'C[N+]1(C2(CCC1CC(=O)C2))'
p3012
sS'CHLOROACETOL-PHOSPHATE'
p3013
S'C(C(COP([O-])(=O)[O-])=O)Cl'
p3014
sS'17-DIAMINOHEPTANE'
p3015
S'C(CCCCCC[N+])[N+]'
p3016
sS'CPD-15380'
p3017
S'C(O)C1(=CN=C(C(=C(CO)1)O)CO)'
p3018
sS'DEOXYCHOLATE'
p3019
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]'
p3020
sS'CPD-15384'
p3021
S'CC([N+])C(=O)NC(CCC(NC(CCCC[N+])C(=O)NC(C)C(NC(C(=O)[O-])C)=O)=O)C([O-])=O'
p3022
sS'CPD-15385'
p3023
S'CC1(N=C4(N(C(CCC(NC(=O)OC)C([O-])=O)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N(C)4)))'
p3024
sS'CPD-15386'
p3025
S'CC1(N=C4(N(C=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N4)))'
p3026
sS'CPD-15387'
p3027
S'CC1(N=C4(N(C=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N(C)4)))'
p3028
sS'CPD-15476'
p3029
S'COC1(C=CC(=CC=1)C2(OC3(C(O)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p3030
sS'CPD-15477'
p3031
S'COC1(C=CC(=CC=1)C2(OC3(=CC(OC)=C(OC)C(O)=C(C(=O)C=2)3)))'
p3032
sS'CPD-15474'
p3033
S'COC1(C=CC(=CC=1)C2(OC3(C(OC)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p3034
sS'CPD-15475'
p3035
S'C(CCC(C(=O)[O-])[N+])(NC1(=CC=CC=C1))=O'
p3036
sS'CPD-15472'
p3037
S'CC(CO)CCC3(O)(O[CH]4(C[CH]5([CH]2(CC=C1(CC(CCC(C)1[CH]2CCC(C)(C(C(C)3)4)5)OC7(OC(CO)C(C(O)C(OC6(OC(C)C(O)C(O)C(O)6))7)OC8(OC(C)C(O)C(O)C(O)8)))))))'
p3038
sS'CPD-15473'
p3039
S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(O)C(O2)=3)OC)))'
p3040
sS'CPD-15470'
p3041
S'CC(COC1(OC(CO)C(C(O)C(O)1)O))CCC4(O)(O[CH]5(C[CH]6([CH]3(CC=C2(CC(CCC(C)2[CH]3CCC(C)(C(C(C)4)5)6)OC9(OC(CO)C(C(OC7(OC(CO)C(C(O)C(O)7)O))C(OC8(OC(C)C(O)C(O)C(O)8))9)O))))))'
p3042
sS'CPD-15471'
p3043
S'CC(CO)CCC3(O)(O[CH]4(C[CH]5([CH]2(CC=C1(CC(CCC(C)1[CH]2CCC(C)(C(C(C)3)4)5)OC8(OC(CO)C(C(OC6(OC(CO)C(C(O)C(O)6)O))C(OC7(OC(C)C(O)C(O)C(O)7))8)O))))))'
p3044
sS'4-SULFOBENZYL-ALCOHOL'
p3045
S'C(C1(C=CC(S(=O)(=O)[O-])=CC=1))O'
p3046
sS'CPD-15478'
p3047
S'COC1(C=CC(=CC=1)C2(OC3(=CC(O)=C(OC)C(O)=C(C(=O)C=2)3)))'
p3048
sS'GAMMA-LINOLENOYL-COA'
p3049
S'CCCCCC=CCC=CCC=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3050
sS'MALEATE'
p3051
S'C([O-])(=O)C=CC([O-])=O'
p3052
sS'CPD-7150'
p3053
S'C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])OC5(OC(C(C(C5O)O)O)COC(C=CC6(=CC(=C(C=C6)O)O))=O)))))O'
p3054
sS'CPD-7157'
p3055
S'COC5(=C1(C(OC4(C(C1=O)=C(C=C2(C([CH]3([CH](O2)OC=C3))=4))OC))=CC=C5))'
p3056
sS'ETHANAMINE'
p3057
S'CC[N+]'
p3058
sS'CPD-7158'
p3059
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(O)=C(O)1)'
p3060
sS'CPD1F-420'
p3061
S'CC5(OC(OC4(C=C2(C(C(=O)C(=C(C1(=CC=C(O)C=C1))O2)OC3(OC(C(C(C3O)O)O)CO))=C(C=4)O)))C(C(C5O)O)O)'
p3062
sS'14-APO-BETA-CAROTENAL'
p3063
S'CC(=CC=CC=O)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)'
p3064
sS'1OXO2YLIDENE'
p3065
S'C(C(=CC=C2(CC1(C(=CC=CC=1)C(=O)2)))O)([O-])=O'
p3066
sS'6-O-BETA-D-XYLOPYRANOSYL'
p3067
S'C(OC1(OCC(O)C(O)C(O)1))C2(OC(O)C(O)C(O)C(O)2)'
p3068
sS'CPD0-1391'
p3069
S'C(C2(C(C(N=[N+]=[N-])C(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O'
p3070
sS'3-OXODODECANOATE'
p3071
S'CCCCCCCCCC(CC([O-])=O)=O'
p3072
sS'CPD-8283'
p3073
S'CCCCCCCCC=CCCCCCCCC(OC(COP(OCC[N+])([O-])=O)COC(=O)CCCCCCCCCCCCCCC)=O'
p3074
sS'FORMAMIDE'
p3075
S'C(N)=O'
p3076
sS'DIETHYLDITHIOCARBAMATE'
p3077
S'CCN(CC)C(=S)[S-]'
p3078
sS'CPD-8281'
p3079
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p3080
sS'CPD-8286'
p3081
S'CCC=CCC=CCC=CCCCCCCCC(OC(COP(OCC[N+])([O-])=O)COC(=O)CCCCCCCCCCCCCCC)=O'
p3082
sS'CPD-18726'
p3083
S'CC([CH]=O)=CC=CC(=O)C'
p3084
sS'CPD-8287'
p3085
S'CCCCCC=CCC=CCCCCCCCC(OC(COP(OCC[N+])([O-])=O)COC(=O)CCCCCCCC=CCCCCCC)=O'
p3086
sS'CPD0-2468'
p3087
S'CC(C(C(O)(O)COP([O-])(=O)[O-])O)=O'
p3088
sS'CPD0-2463'
p3089
S'C(C1(OC2(C(C1O)OP(O2)([O-])=O)))OP([O-])([O-])=O'
p3090
sS'CPD0-2462'
p3091
S'C1(OC(C(=O)[O-])=CC([N+])1)'
p3092
sS'CPD0-2461'
p3093
S'C2(=NC1(=C(NC(N=C(N)1)=O)N2))'
p3094
sS'CPD0-2460'
p3095
S'C(O)C(O)C(O)C(C(O)CO)OC1(OC(CO)C(O)C(O)C(O)1)'
p3096
sS'CPD0-2467'
p3097
S'CC(C(C(COP([O-])(=O)[O-])=O)O)=O'
p3098
sS'CPD0-2466'
p3099
S'CC(C(=C(COP(=O)([O-])[O-])O)[O-])=O'
p3100
sS'CPD0-2464'
p3101
S'C2(NC1(C=CC=CC=1C=2CCNC(=O)OCC5(C(C(C(N4(C=NC3(C(=O)NC(N)=NC=34)))O5)O)O)))'
p3102
sS'ACETOACETYL-COA'
p3103
S'CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3104
sS'CPD-14494'
p3105
S'CC5(C(C)[CH]2(C(CO)(CCC3(C)(C1(C)(CC[CH]4(C(C)(C)C(O)CCC(C)([CH]1CC=C23)4))))CC5))'
p3106
sS'L-GLYCERALDEHYDE'
p3107
S'[CH](=O)C(CO)O'
p3108
sS'CPD-13739'
p3109
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(=CC(=O)C=CC(C)4[CH](CCC(C)56)7))))'
p3110
sS'CPD-13738'
p3111
S'CC([CH]2(CC[CH]3([CH]4(CCC1(=CC(=O)C=CC(C)1[CH](CCC(C)23)4)))))C(=O)[O-]'
p3112
sS'CHOLINE'
p3113
S'C(CO)[N+](C)(C)C'
p3114
sS'CPD-13733'
p3115
S'C=CC4(=C(C)C8([N+]5([Fe-]26([N+]1(C(C([CH]=O)=C(CCC(=O)[O-])C=1C=C3(N2C(C(C)=C(CCC(=O)[O-])3)=CC4=5))=CC7(=C(C)C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)=C(N67)C=8))))))'
p3116
sS'CPD-13732'
p3117
S'C(O)C3(OC(OC1(C(O)C(CO)OC(C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)))C(O)C(O)C(O)3)'
p3118
sS'CPD-13737'
p3119
S'CC([CH]2(CC[CH]3([CH]4(CCC1(=CC(=O)CCC(C)1[CH](CCC(C)23)4)))))C(=O)[O-]'
p3120
sS'CPD-18424'
p3121
S'CC2(C(O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p3122
sS'CPD-13734'
p3123
S'C=CC4(=C(C)C8([N+]5([Fe--]26([N+]1(C(C([CH]=O)=C(CCC(=O)[O-])C=1C=C3(N2C(C(C)=C(CCC(=O)[O-])3)=CC4=5))=CC7(=C(C)C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)=C(N67)C=8))))))'
p3124
sS'CPD-11911'
p3125
S'CC18(OC(CC(NC)C(OC)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NC(O)C=3C5(C4(C=CC=CC=4N(C=5C=67)8)))))))'
p3126
sS'L-DI-GMP'
p3127
S'C(OP([O-])(OC1(C(COP([O-])([O-])=O)OC(C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))=O)C4(OC(C(O)C(O)4)N6(C=NC5(C(=O)NC(N)=NC=56)))'
p3128
sS'CPD-18423'
p3129
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p3130
sS'CPD-19151'
p3131
S'CCCCCCC=CCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3132
sS'CPD-19150'
p3133
S'CCCCCCC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3134
sS'CPD-19153'
p3135
S'CCCCCCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3136
sS'2-CL-MUCONATE'
p3137
S'C([O-])(=O)C=CC=C(C([O-])=O)Cl'
p3138
sS'CPD-6681'
p3139
S'C1(O)(C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p3140
sS'CPD-19157'
p3141
S'CCCCCCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3142
sS'CPD-9461'
p3143
S'CC7(CCC6(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)OC5(C(C(C(C(CO)O5)O)O)O))O))C))C))C6C7)C)C(=O)[O-])C'
p3144
sS'CPD-9460'
p3145
S'CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)[O-])C'
p3146
sS'CPD-9462'
p3147
S'CC6(CCC5(CCC1(C(=CC[CH]2(C1(CC[CH]3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C))C))[CH]5C6)C)C(=O)OC7(C(C(C(C(CO)O7)O)O)O))C'
p3148
sS'CPD-9465'
p3149
S'CC(O)CP(O)(=O)[O-]'
p3150
sS'CPD-9464'
p3151
S'CC7(CCC6(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])O)OC5(C(C(C(C(CO)O5)O)O)O))O))C))C))C6C7)C)C(=O)OC8(C(C(C(C(CO)O8)O)O)O))C'
p3152
sS'CPD-9467'
p3153
S'CC8(CCC7(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])OC5(C(C(C(C(CO)O5)O)O)O))OC6(C(C(C(C(CO)O6)O)O)O))O))C))C))C7C8)C)C(=O)OC9(C(C(C(C(CO)O9)O)O)O))C'
p3154
sS'CPD-9466'
p3155
S'C(CP([O-])(O)=O)O'
p3156
sS'CPD-8228'
p3157
S'CCCCCC=CC=CC=CCCCCCCC([O-])=O'
p3158
sS'CPD-618'
p3159
S'CC(C(CC([O-])=O)C([O-])=O)(C([O-])=O)O'
p3160
sS'CPD-616'
p3161
S'CC1(C(=C(C=C(C=1)O)O)O)'
p3162
sS'CPD-8225'
p3163
S'C(Cl)Cl'
p3164
sS'CPD-614'
p3165
S'C(Br)Cl'
p3166
sS'CPD-615'
p3167
S'C(C1(C=CC(=CC=1)Cl))([O-])=O'
p3168
sS'CPD-612'
p3169
S'CC(CC(C([O-])=O)=O)=O'
p3170
sS'CPD-613'
p3171
S'C([O-])(=O)C(=CC=CC(C1(C=CC=CC=1))=O)O'
p3172
sS'CPD-610'
p3173
S'O=P1(OP(=O)(OP(O1)(=O)[O-])[O-])[O-]'
p3174
sS'CPD-8223'
p3175
S'C(Cl)(F)(Cl)F'
p3176
sS'CPD-12543'
p3177
S'C(C([CH]1(OC(C(C(C1O)O)O)O))O)OP([O-])(=O)[O-]'
p3178
sS'CPD-5321'
p3179
S'CC(OC1(=CC2(C3(C(CC=C(C(C1OC(=O)C)(C)C)2)C4(CC(C(C(CC3=O)4C)C(C(=O)C=CC(C)(C)O)(O)C)OC(=O)C)C)C)))=O'
p3180
sS'SECOLOGANATE'
p3181
S'C=CC1(C(OC=C(C(=O)[O-])C(CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))'
p3182
sS'CPD-12812'
p3183
S'CC1(C(=C(C)C=C(C=1)C2(C=C(C)C(=C(C)C=2)N))N)'
p3184
sS'CPD-12938'
p3185
S'CCC(C)C1(C(=O)OC3(N1C4(=C(C2(=C(O)C=C(C)C=C23))C(=O)C5(=C(C(=O)4)C(O)=CC=C5))))'
p3186
sS'CPD-15267'
p3187
S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=CC=CC=23)))C(N5([CH](C4=O)CCC5))=O))'
p3188
sS'CPD0-1353'
p3189
S'C(=O)([O-])C(=O)CF'
p3190
sS'8-SELENO-OCTANOATE'
p3191
S'C(CCC[Se])CCCC(=O)[O-]'
p3192
sS'CPD-12814'
p3193
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC'
p3194
sS'CPD-12936'
p3195
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O'
p3196
sS'CPD-12817'
p3197
S'CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC([N+])C([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p3198
sS'CPD-9799'
p3199
S'CC(C)(C1(CC2(C(O1)=CC=C3(C=2OC(=O)C=C3))))O'
p3200
sS'CPD-12937'
p3201
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C([O-])=O'
p3202
sS'URETHAN'
p3203
S'CCOC(=O)N'
p3204
sS'CPD-12544'
p3205
S'C(OS(=O)(=O)[O-])C1(C(O)C(O)C([N+])C(O)O1)'
p3206
sS'CPD-9793'
p3207
S'C([O-])(=O)CCCCC([N+])C([O-])=O'
p3208
sS'CPD-9792'
p3209
S'CCCCCCC=CC=CCCCCCCCCCC(=O)[O-]'
p3210
sS'CPD-9790'
p3211
S'C[N+]2(CCC1(=CC(OC)=C(O)C=C1CC2CC3(C=C(OC)C(OC)=C(O)C=3)))'
p3212
sS'ALA-GLY-ALA-GLY'
p3213
S'CC([N+])C(NCC(NC(C(NCC([O-])=O)=O)C)=O)=O'
p3214
sS'METHYLARSONATE'
p3215
S'C[As](=O)([O-])O'
p3216
sS'CPD-12932'
p3217
S'CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C'
p3218
sS'CPD-11457'
p3219
S'CC(C=CC=C(C=CC1(C(C)=C(C)C(C)=CC=1))C)=CC=CC=C(C=CC=C(C=CC2(=CC=C(C)C(C)=C(C)2))C)C'
p3220
sS'CPD0-1359'
p3221
S'CCCCC(C=O)NC(C(CC(C)C)NC(=O)OCC1(C=CC=CC=1))=O'
p3222
sS'CPD-14633'
p3223
S'CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(OC)C(OC)C(O)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))'
p3224
sS'DIMETHYL-CITRACONATE'
p3225
S'CC(=CC(OC)=O)C(OC)=O'
p3226
sS'CPD-12930'
p3227
S'CC(C=CC=C(C=CC=C(C([O-])=O)C)C)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)'
p3228
sS'CPD-11459'
p3229
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C)=C(C)C(CO)=CC=1))C)C)C=CC=C(C=CC2(=CC=C(C)C(C)=C(C)2))C'
p3230
sS'GDP-4-DEHYDRO-6-L-DEOXYGALACTOSE'
p3231
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)C(O)C(=O)4)'
p3232
sS'6-AMINOPENICILLANATE'
p3233
S'CC1(C)(S[CH]2(C([N+])C(=O)N(C(C([O-])=O)1)2))'
p3234
sS'K-BUTYRYL-COA'
p3235
S'CCC(=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3236
sS'CPD0-1891'
p3237
S'CC(C(=O)NCC=O)NC(=O)CCC([N+])C([O-])=O'
p3238
sS'CPD-14176'
p3239
S'C1(C(C(C(C(C1[N+])OC2(C(CC(C(CO)O2)O)[N+]))OC3(C(C(C(CO)O3)OC4(C(C(C(C(C[N+])O4)O)O)[N+]))O))O)[N+])'
p3240
sS'CPD-14217'
p3241
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(C[N+])C(O)C(O)C(O)1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p3242
sS'CPD0-1965'
p3243
S'C=C(C)NCCCCC(C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C'
p3244
sS'CPD0-1963'
p3245
S'CC(C(NC(C(=O)[O-])C)=O)NC(=O)C(CCCC[N+])NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)OC3(C(O)C(CO)OC(OP(=O)([O-])OP([O-])(=O)OCC2(OC(N1(C(=O)NC(=O)C=C1))C(O)C(O)2))C(NC(=O)C)3)'
p3246
sS'INOSITOL-1-4-5-TRISPHOSPHATE'
p3247
S'C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p3248
sS'CPD0-1961'
p3249
S'C[N+]1(O)(CCOCC1)'
p3250
sS'CPD0-2399'
p3251
S'C(O)C(CO)([N+]CC(=O)[O-])CO'
p3252
sS'CPD-17301'
p3253
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CCCC=1C))C)C)C=CC=C(C=CC=C(C(=O)CCC(O)(C)C)C)C'
p3254
sS'3-METHYLBENZYLSUCCINATE'
p3255
S'CC1(=CC=CC(CC(CC(=O)[O-])C([O-])=O)=C1)'
p3256
sS'CPD-18094'
p3257
S'C6(C(C5([O+]=C2(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=CC([O-])=C2)=CC(OC4(OC(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))4)CO))=5)))=CC(O)=C(O)C=6)'
p3258
sS'CPD-10655'
p3259
S'CC1(=CC(Cl)=CC(O)C(O)1)'
p3260
sS'CPD-17522'
p3261
S'CC4(=C([O-])C(=O)C3(=C(N2(C[CH]1(N(C)[CH]1C(O)2C(COC(=O)N)3)))C(=O)4))'
p3262
sS'CPD-16815'
p3263
S'C=C[N+]'
p3264
sS'CPD-16814'
p3265
S'CC=[N+]'
p3266
sS'CPD-16817'
p3267
S'C2(C=CC1(=C(C(OS([O-])(=O)=O)=CN1)C=2))'
p3268
sS'CPD-16816'
p3269
S'C1(C(O)=C(O)C2(=C(C(O)=1)C(C=C([O-])C(=O)2)=O))'
p3270
sS'CPD-16811'
p3271
S'C(NC(N)=[N+])CCC([N+])C(NO)=O'
p3272
sS'CPD-16810'
p3273
S'C([O-])(=O)C(=N)CC(O)C(O)CO'
p3274
sS'CPD-16813'
p3275
S'CC(C)CC([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p3276
sS'CPD-16812'
p3277
S'CCC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p3278
sS'CPD-16819'
p3279
S'CC1(C=CC(=CC=1)OS(=O)(=O)[O-])'
p3280
sS'L-4-HYDROXYGLUTAMATE_SEMIALDEHYDE'
p3281
S'C(=O)C(CC(C([O-])=O)[N+])O'
p3282
sS'3-PHENYLPROPIONATE'
p3283
S'C(CCC1(=CC=CC=C1))([O-])=O'
p3284
sS'CPD-12125'
p3285
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C(C)=C(O)C1(C=CC=CC=1C(O)=2)))C'
p3286
sS'CPD-12124'
p3287
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C(C)=C(O)C1(C=CC=CC=1C(O)=2)))C'
p3288
sS'CPD-12127'
p3289
S'CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C'
p3290
sS'CPD-12126'
p3291
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C'
p3292
sS'CPD-12121'
p3293
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C'
p3294
sS'CPD-12120'
p3295
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C'
p3296
sS'CPD-12122'
p3297
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C)C'
p3298
sS'CPD-12129'
p3299
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C'
p3300
sS'CPD-12128'
p3301
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C'
p3302
sS'CPD-10419'
p3303
S'C(C=CC(S(=O)(=O)[O-])=CC(=O)[O-])([O-])=O'
p3304
sS'CPD-10418'
p3305
S'C1(C(S(=O)(=O)[O-])=CC(=C(O)C=1)O)'
p3306
sS'CPD-10149'
p3307
S'C(N)(N)=[N+]C1(C(O)C(O)C(O)C(O)C(O)1)'
p3308
sS'CPD-10148'
p3309
S'C(N)(N)=[N+]C1(C(O)C(O)C(O)C([N+]=C(N)N)C(O)1)'
p3310
sS'CPD-10145'
p3311
S'C(#N)[Fe---](C#N)(C#N)(C#N)(C#N)C#N'
p3312
sS'CPD-10411'
p3313
S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C(CC(O)2)=C(O)C=C(O)C=3)))'
p3314
sS'CPD-10146'
p3315
S'C(SSC([N+])=N)(=N)[N+]'
p3316
sS'CPD-10417'
p3317
S'CC(C)CC(C(NC(C)C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NCCO)=O)CC2(=CNC1(C=CC=CC=12)))=O)CC(C)C)=O)CC4(=CNC3(C=CC=CC=34)))=O)CC(C)C)=O)CC5(C=CC(O)=CC=5))=O)CC(C)C)=O)CC7(=CNC6(C=CC=CC=67)))=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)=O)NC(C(C)NC(CNC(C(C(C)C)NC=O)=O)=O)=O'
p3318
sS'CPD-10416'
p3319
S'CC(C)CC(C(NC(C)C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NCCO)=O)CC2(=CNC1(C=CC=CC=12)))=O)CC(C)C)=O)CC4(=CNC3(C=CC=CC=34)))=O)CC(C)C)=O)CC5(C=CC=CC=5))=O)CC(C)C)=O)CC7(=CNC6(C=CC=CC=67)))=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)=O)NC(C(C)NC(CNC(C(C(C)C)NC=O)=O)=O)=O'
p3320
sS'CPD-10143'
p3321
S'CC1(C(CO)(C(C(O1)OC2(C(C(C(C(C2[N+]=C(N)N)O)[N+]=C(N)N)O)O))OC3(C(C(C(C(CO)O3)O)O)[N+]C))O)'
p3322
sS'CPD-10142'
p3323
S'C=C(C1(CCC2(C(C1)O2)(C)))C'
p3324
sS'CPD-7971'
p3325
S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC([O-])=O)C)C'
p3326
sS'ALLYSINE'
p3327
S'[CH](=O)CCCC([N+])C(=O)[O-]'
p3328
sS'CPD-7973'
p3329
S'CC(C=CC=C(C=CC(OC)=O)C)=CC=CC=C(C=CC=C(C=CC(OC)=O)C)C'
p3330
sS'CPD-7972'
p3331
S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC(OC)=O)C)C'
p3332
sS'CPD-7975'
p3333
S'CCCCCCCC1(=CC(C2(C=CC=CC(N1O)=2))=O)'
p3334
sS'CPD-7979'
p3335
S'CC(CCC=C(CO)C)=CCO'
p3336
sS'CPD-7978'
p3337
S'CC(=CCCC(=CCO)C)C'
p3338
sS'CPD-18853'
p3339
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C)C1=CC4(=C(C(O)C)C(C)=C(C=2)N34))C=C5N6C7=8)))=9)))))'
p3340
sS'CORTISONE'
p3341
S'CC34([CH]2(C(=O)CC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p3342
sS'CPD-18851'
p3343
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p3344
sS'CPD-18850'
p3345
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p3346
sS'CPD-18857'
p3347
S'CC(C)C1(C=CC(C)(O)CC(O)C=C(C)CCC=C(C)CC1)'
p3348
sS'CPD-18856'
p3349
S'CC(C1(C=CC(C)(O)CC(O)C=C(C)CCC=C(C)CC1))C'
p3350
sS'CPD-18855'
p3351
S'CC(C)C1(C=CC(C)(O)CCC=C(CCC=C(C)CC1)C)'
p3352
sS'BENZYLSUCCINATE'
p3353
S'C1(C=CC(=CC=1)CC(CC(=O)[O-])C(=O)[O-])'
p3354
sS'CPD-18858'
p3355
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p3356
sS'N2-ACETYLGENTAMICIN-C1A'
p3357
S'CC(=O)NC3(CCC(C[N+])OC(OC2(C([N+])CC([N+])C(OC1(OCC(C)(O)C([N+]C)C(O)1))C(O)2))3)'
p3358
sS'CPDQT-520'
p3359
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(OCC(O)COP([O-])(=O)[O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p3360
sS'CPDQT-523'
p3361
S'CC(C(C(C(C(C)C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)OCC([CH](CC2)3)4)O)O)C))(C)))O)OC5(OC(CO)C(O)C(O)C(O)5))C)C'
p3362
sS'CPDQT-522'
p3363
S'CC(C)C(C)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(C)[CH]4(CC[CH]5([CH]3(CC(=O)[CH]2(CC(O)C(O)CC(C)2[CH]3CCC(C)45))))'
p3364
sS'CPD-16514'
p3365
S'CC1(C2(C(C=CC=1)=C(C=CC=2)C(=O)[O-]))'
p3366
sS'CPD-16515'
p3367
S'CC1(C2(=C(C=CC=1)C(=CC(O)=C2)C(=O)[O-]))'
p3368
sS'CPD-8469'
p3369
S'CCCCCCCCCCCC(O)C([O-])=O'
p3370
sS'CPD-16516'
p3371
S'CC1(C2(=C(C=CC=1)C(=CC(OC)=C2)C(=O)[O-]))'
p3372
sS'CPD-13320'
p3373
S'CN2(C=NC1(=NC=NC(N)=C12))'
p3374
sS'PYRIMIDINE-RING'
p3375
S'C1(=CC=NC=N1)'
p3376
sS'CPD-13321'
p3377
S'CCCC[CH]=[CH]C(=O)C'
p3378
sS'CPD-16510'
p3379
S'CC1(CCC[N+]=1)'
p3380
sS'CPD-4441'
p3381
S'CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))'
p3382
sS'CPD-4442'
p3383
S'CC(CO)=CCNC3(=NC=NC2(N(C1(C(C(C(O1)CO)O)O))C=NC=23))'
p3384
sS'CPD-4443'
p3385
S'CC(CO)=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP([O-])([O-])=O)O)O))C=NC=23))'
p3386
sS'CPD-8465'
p3387
S'CCCCCC=CCC=CCCCCCCCCCCCCCCCCC[CH]=O'
p3388
sS'CPD0-2128'
p3389
S'CC1(C(=O)C(O)C(O)C(O1)OP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(O)C(O2)N3(C=NC4(=C3N=C(N)NC(=O)4))))'
p3390
sS'CPD0-2129'
p3391
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C(O)C1(=C(C=CC=C1)C(O)C=2))'
p3392
sS'CPD-13324'
p3393
S'C1(N=C2(C(=C(N)N=1)N=CN2C4(C(O)C(O)C(CCC(C3(C=C(C([O-])=O)C=CC=3))=O)O4)))'
p3394
sS'CPD0-2124'
p3395
S'CC(=O)N2(O[Fe+++]1(ON(CCCCCNC(=O)CCC(=O)N(O1)CCCCCN)C(=O)CCC(=O)NCCCCC2))'
p3396
sS'CPD-16513'
p3397
S'CC3(C(=O)C4(C[CH]5(C2(N(C)C(CC1(C(=O)C(C)=C(OC)C(=O)C=12))C(C#N)N(C(CNC(=O)C(=O)C)C(C(=O)C(OC)=3)=4)5))))'
p3398
sS'CPD0-2123'
p3399
S'CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3400
sS'CPD0-2121'
p3401
S'CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3402
sS'ARACHIDONIC_ACID'
p3403
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p3404
sS'CPD-15423'
p3405
S'CC(C)=CCC1(C(O)=CC=C(C=1)C([O-])=O)'
p3406
sS'CPD-9275'
p3407
S'C=CCSS(CC=C)=O'
p3408
sS'CPD-17129'
p3409
S'C1(O[CH](C(C1O)O)C(C(=O)[O-])O)'
p3410
sS'TETRANITROMETHANE'
p3411
S'C([N+]([O-])=O)([N+]([O-])=O)([N+](=O)[O-])[N+]([O-])=O'
p3412
sS'CPD-4745'
p3413
S'C=C(C2(CC1(C(C(C(CC=1CC2)O)O)C)))C'
p3414
sS'CPD-14248'
p3415
S'CC3(C(C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)NC(C)=O)'
p3416
sS'CPD-14249'
p3417
S'C=CCCCCCC=CCCCCCCCC'
p3418
sS'CPD-14718'
p3419
S'CCCCCCCCCCCCCCC(O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p3420
sS'CPD-14719'
p3421
S'CCCCCCCCCCCCCCCC[CH]=O'
p3422
sS'CPD-14242'
p3423
S'CCCCCCCCCCCC(=O)CC([O-])=O'
p3424
sS'CPD-14243'
p3425
S'CCC=CCC=CCC=CCC=CCCC(CCC=CCC=CCC=CCC=CCC)=O'
p3426
sS'CPD-14240'
p3427
S'CCC=CCC=CCC=CCC=CCCC(=O)C(CC=CCC=CCC=CCC=CCC)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3428
sS'CPD-14717'
p3429
S'CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3430
sS'CPD-14594'
p3431
S'CC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p3432
sS'CPD-14244'
p3433
S'CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p3434
sS'CPD-14245'
p3435
S'CCC=CCC=CCC=CCC=CCCC(O)C(CC=CCC=CCC=CCC=CCC)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3436
sS'LACTOYL-COA'
p3437
S'CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3438
sS'2-ARYL-2-METHYLMALONATE'
p3439
S'CC([R])(C(=O)[O-])C(=O)[O-]'
p3440
sS'334578-HEXAHYDROXYFLAVONE'
p3441
S'C1(C=C(C(=CC=1C3(=C(C(C2(=C(C=C(C(=C2O3)O)O)O))=O)[O-]))O)O)'
p3442
sS'CPD-7078'
p3443
S'C(C4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)C(O)C(O)4))O'
p3444
sS'--6-HYDROXY-3-OXO-ALPHA-IONOL'
p3445
S'CC1(=CC(=O)CC(C)(C)C(O)(C=CC(C)O)1)'
p3446
sS'GLUTATHIONYLSPERMIDINE'
p3447
S'C([N+])CC[N+]CCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O'
p3448
sS'CPD-13944'
p3449
S'C(=O)([O-])C([N+])CN(N=O)O'
p3450
sS'CPD-13945'
p3451
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C(OC)C2))O3))'
p3452
sS'CPD-13946'
p3453
S'CC1(CC(C)C(O)C(C)C(O)C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)1)'
p3454
sS'CPD-13947'
p3455
S'CCC1(OC(=O)C(C)C(O)C(C)C(O)C(O)(C)CC(C)C(=O)C(C)C(O)C(C)1)'
p3456
sS'CPD-13940'
p3457
S'C[CH]3(OP(=O)([O-])OC1(C(O)C(OC(CO)1)N2(C%12(=C(N(=C2)[Co]68%10(N5(=C4(C(C)=C%11(C(C)(CCC(=O)NC3)C(CC(=O)N)[CH](C9(C)(C(CC(=O)N)(C)C(CCC(=O)N)C(C(C)=C7(C(CC(=O)N)(C)C(CCC(=O)N)C(C=C(C(C)(C)C(CCC(=O)N)4)5)=N67))=N89))N%10%11)))))C=C(OC)C=C%12))))'
p3458
sS'CPD-13943'
p3459
S'C(O)C(CCC([O-])=O)=O'
p3460
sS'5-HYDROXY-4-IMIDAZOLEACETATE'
p3461
S'C1(N[C-](CC(=O)[O-])C(=O)N=1)'
p3462
sS'CPD-18193'
p3463
S'CC3(O)(OCC2(=C(O)C1(=C(C(=O)C(O)=CC(=O)1)C=C2C3)))'
p3464
sS'CPD-13948'
p3465
S'CC1(C(O)C(OC)CC(O)O1)'
p3466
sS'CPD-13949'
p3467
S'CC5(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(OC2(CC(OC)C(O)C(C)O2))C(C)C(OC4(OC(C)CC(C(OC3(OC(CO)C(O)C(O)C(O)3))4)[N+](C)C))5)'
p3468
sS'CPD-18145'
p3469
S'CC1(C=C(O)C(C)=C(O)C([CH]=O)=1)'
p3470
sS'18-DIAMINOOCTANE'
p3471
S'C(CCCCCCC[N+])[N+]'
p3472
sS'CPD-18147'
p3473
S'CC1(=CC(=O)C(O)(C)C(=O)C(=CO)1)'
p3474
sS'CPD-18146'
p3475
S'CC1(=CCC(C)(C)C=CCC4(C)([CH](CC1)[CH]3(OC[CH]2(C(=O)C(O)=C([CH]23)O4))))'
p3476
sS'CPD-18141'
p3477
S'C1(C=C2(C(N=1)=CC(=O)C=C2))'
p3478
sS'CPD-18140'
p3479
S'C1(=CC2(C(=N1)C=CC(=O)C=2))'
p3480
sS'CPD-18142'
p3481
S'C1(=CC2(C(=N1)C(=O)C=CC=2))'
p3482
sS'CPD-15924'
p3483
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)=O'
p3484
sS'CPD-18149'
p3485
S'CC1(C(O)=C(C(C)=O)C=CC(O)=1)'
p3486
sS'CPD-18148'
p3487
S'CC1(=C([CH]=O)C(O)=CC(=O)C(O)=C1)'
p3488
sS'APIGENIN-7-O-NEOHESPERIDOSIDE'
p3489
S'CC5(OC(OC1(C(C(C(CO)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C=C2)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O)'
p3490
sS'HEXANOYL-COA'
p3491
S'CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3492
sS'TRYPTAMINE'
p3493
S'C([N+])CC2(=CNC1(=C(C=CC=C1)2))'
p3494
sS'CPDQT-425'
p3495
S'C(C1(=CNC2(=C1C=CC=C2)))SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC(=O)[O-]'
p3496
sS'13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1'
p3497
S'CCCCCC(=O)C=CC1(C(O)CC(=O)C(CCCCCCC(=O)[O-])1)'
p3498
sS'CPD66-65'
p3499
S'CCC=CCC(O)C(O)C=CC=CC=CC=CC(O)CC=CCCC(=O)[O-]'
p3500
sS'CPD-7881'
p3501
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[CH]=O'
p3502
sS'CPD-18170'
p3503
S'C1(OC(C(C(O)C1OC6(C(O)C(O)C(CO)OC(C3(=C(OC2(C(C(C(O)C(O2)CO)O)O))C=C4(OC(=CC(=O)C(=C(O)3)4)C5(=CC=C(O)C=C5))))6))O)O)'
p3504
sS'CPD-65'
p3505
S'C(C1(C=CC=CC=1))SC#N'
p3506
sS'CPD-66'
p3507
S'C(C(C(C([O-])=O)=O)O)([O-])=O'
p3508
sS'CPD-67'
p3509
S'C(OP([O-])(=O)[O-])C([O-])=O'
p3510
sS'CPD-6161'
p3511
S'C1(=NC(=C2(NCNC(=N1)2))NCC3(C(=CC=CC=3)O))'
p3512
sS'CPD-61'
p3513
S'CC(C(=O)[O-])C(C)(O)C(=O)[O-]'
p3514
sS'CPD-62'
p3515
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)C4(C=CC=C(O)C(O)=4)'
p3516
sS'CPD-6162'
p3517
S'C1(=NC(=C2(NCNC(=N1)2))NCC3(C=CC(=CC=3)O))'
p3518
sS'1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN'
p3519
S'C[N+]CC(O)C1(C=CC(O)=CC=1)'
p3520
sS'ADP-GROUP'
p3521
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP([O-])(=O)O)(=O)[O-]'
p3522
sS'MALTOPENTAOSE'
p3523
S'C(C5(OC(OC4(C(OC(OC1(C(OC(C(C1O)O)OC2(C(OC(C(C2O)O)OC3(C(OC(C(C3O)O)O)CO))CO))CO))C(C4O)O)CO))C(C(C5O)O)O))O'
p3524
sS'CPD-68'
p3525
S'C([O-])(=O)C1(CC1)[N+]'
p3526
sS'CPD-69'
p3527
S'C([O-])#N'
p3528
sS'CPD0-1105'
p3529
S'C1(=CC=CC=[N+]1CC([O-])=O)'
p3530
sS'CPD0-1104'
p3531
S'C(C1(CC[N+]1))([O-])=O'
p3532
sS'CPD0-1107'
p3533
S'CC1(OC(C(C(C1O)O)O)O)'
p3534
sS'CPD0-1103'
p3535
S'C(C1([N+]CC=C1))([O-])=O'
p3536
sS'CPD0-1102'
p3537
S'C(C(NO)=O)OP([O-])(=O)[O-]'
p3538
sS'CPD-15047'
p3539
S'C=CC(C)(O)CCC1(C)(C(C)CC=C2(C(C)(C)CCC[CH]12))'
p3540
sS'CPD-7889'
p3541
S'CCCCCC=CCCCCCCCCCCCCCCCCCC[CH]=O'
p3542
sS'CPD-15044'
p3543
S'C(O)C2(C(C(C(N1(C(NCC=CC1)=O))O2)O)O)'
p3544
sS'ISOVALERYL-COA'
p3545
S'CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C'
p3546
sS'CPD-15042'
p3547
S'C=C[CH]2(C(OC1(C(O)C(O)C(O)C(CO)O1))OC=C3(C(=O)N4(CC5(C(=O)C6(C=CC=CC(NC([CH](C[CH]23)4)=5)=6)))))'
p3548
sS'CPD-15041'
p3549
S'C12(NC(=O)NC=1C(=O)NC([O-])=N2)'
p3550
sS'GLYCEROPHOSPHOGLYCEROL'
p3551
S'C(C(COP(OCC(CO)O)([O-])=O)O)O'
p3552
sS'S-RETICULINE'
p3553
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p3554
sS'CPD-7561'
p3555
S'CC1(CC[CH]3(C(C)C(O[CH]4(OC2(CC[CH]1C(OO2)34)(C)))=O))'
p3556
sS'AMINO-IMIDAZOLE'
p3557
S'C1(NC=NC(N)=1)'
p3558
sS'METHYL-MALONYL-COA'
p3559
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C([O-])=O'
p3560
sS'CPD66-68'
p3561
S'CCC(O)C=CC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p3562
sS'CPD-694'
p3563
S'CC6(=C7(C(C([CH]8(C2([N+]1([Co---]4([N+]3(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)N)(C)2)C(C(CCC(=O)[O-])C=3C=C5(C(C)(C)C(CCC(=O)[O-])C(=[N+]45)6))(CC(=O)N)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))'
p3564
sS'CPD-2044'
p3565
S'CCCCCC=CC[CH]1(O[CH](C=CC(O)CC=CCCCC(=O)[O-])1)'
p3566
sS'CPD-7116'
p3567
S'CC(C)=CCC1(C(C(=O)CC=C(C)C)(O)C(=C(C(=O)1)C(=O)CC(C)C)[O-])'
p3568
sS'CPD-14635'
p3569
S'CC(C(O)C)C([N+])C([O-])=O'
p3570
sS'CPD-842'
p3571
S'C(Cl)(Cl)(Cl)Cl'
p3572
sS'DIHYDROCHELIRUBINE'
p3573
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p3574
sS'CPD-845'
p3575
S'CCl'
p3576
sS'CPD-844'
p3577
S'C(=S)=S'
p3578
sS'D-4-HYDROXY-2-KETO-GLUTARATE'
p3579
S'C(C(=O)C([O-])=O)C(C([O-])=O)O'
p3580
sS'CPD-14634'
p3581
S'CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(OC)C(OC)C(OC)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))'
p3582
sS'CPD-4801'
p3583
S'C1(C=C(O)C(O)=CC=1C2(OC3(=CC(O)=C(O)C(O)=C(C(=O)C(O)2)3)))'
p3584
sS'SELENATE'
p3585
S'O=[Se](=O)([O-])[O-]'
p3586
sS'CPD-16668'
p3587
S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(C(O)CC(C)[CH]2C3)))'
p3588
sS'CPD-16666'
p3589
S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(C(O)CC(CO)[CH]2C3)))'
p3590
sS'CPD-16667'
p3591
S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(CCC(C)[CH]2C3)))'
p3592
sS'CPD-16664'
p3593
S'CC(C)=CCCC(C)[CH]1(CCC3(C)([CH]1CC=C(C)[CH]2(CCC(O)(C)[CH]2C3)))'
p3594
sS'CPD-16665'
p3595
S'CC1(C(=O)OC(O)C2(C3(CCC4(CC(CCC12)3C5(OC45C))))C)C'
p3596
sS'CPD-16662'
p3597
S'CC(C)=CCCC(C)=CCOC2(C=C(C1(=C(C(=O)C(=C(C)C1=O)OC)C=2))O)'
p3598
sS'CPD-16663'
p3599
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O)))O'
p3600
sS'CPD-16660'
p3601
S'CC(C)=CCC(C3(C)(C2(=C(C=C1(C(C(=C(C)C(C1=C2OC(C)3)=O)OC)=O))O)))O'
p3602
sS'CPD-16661'
p3603
S'CC(C)=CCCC3(C)(C2(=C(C=C1(C(C(=C(C)C(C1=C2OC(C)3)=O)OC)=O))O))'
p3604
sS'CPD0-1574'
p3605
S'C(N(C1(C=CC(C(O)NC(C([O-])=O)CCC(=O)[O-])=CC=1))C=O)C2(C=CC3(=C(C=2)C(=O)NC(N)=N3))'
p3606
sS'CPD0-1575'
p3607
S'C(SCC(=O)N(CC2(C=C1(C(=O)NC(N)=NC1=CC=2)))C3(C=CC(C(NC(C([O-])=O)CCC(=O)[O-])=O)=CC=3))C(=O)NC4(OC(OP([O-])(=O)[O-])C(O)C(O)4)'
p3608
sS'CPD0-1576'
p3609
S'C(Br)C(=O)N(CC2(C=CC1(N=C(N)NC(=O)C=1C=2)))C3(C=CC(=CC=3)C(=O)NC(C(=O)[O-])CCC(=O)[O-])'
p3610
sS'CPD0-1577'
p3611
S'CC(C(C([O-])=O)[N+])(S)C'
p3612
sS'CPD-4202'
p3613
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])O)([O-])=O)O)O))C=NC=23)))CO'
p3614
sS'CPD-9631'
p3615
S'COC2(C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C(=C(OC)C=2[O-])OC)=3)))'
p3616
sS'CPD-9632'
p3617
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(OC)=CC(C(=O)C=1C(=C2)O)=3)OC)OC)))'
p3618
sS'CPD-9321'
p3619
S'CC(C)=CCCC1(=CC(C2(C(=CC=C(C(C1=O)=2)O)O))=O)'
p3620
sS'CPD-12716'
p3621
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CF)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3622
sS'CPD-12714'
p3623
S'C(F)CCCCCCCC=CCCCCCCCC([O-])=O'
p3624
sS'CPD-12715'
p3625
S'C(=O)([O-])C=CC=CC(=O)C([O-])=O'
p3626
sS'CPD-9638'
p3627
S'CC1(C(O)=CC(=O)C(C(C)=O)=C1[O-])'
p3628
sS'CPD-9639'
p3629
S'CC2(C(=C(C1(C(=C(C(C)=O)C(C=C1[O-])=O)[O-])(C))C(=C(C=2O)C(C)=O)O)O)'
p3630
sS'CPD-4208'
p3631
S'CC(CO)=CCNC3(=NC=NC1(=C(N=CN1C2(C(O)C(O)C(CO)O2))3))'
p3632
sS'CPD-12711'
p3633
S'C(=O)([O-])C1(C=C(N)C=CC(O)=1)'
p3634
sS'CPD-15065'
p3635
S'CCC(OC2(OC(COC1(OCC(O)(CO)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p3636
sS'UBIQUINONE-10'
p3637
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p3638
sS'12-DEHYDRORETICULINIUM'
p3639
S'C2(CC3(=CC(OC)=C(O)C=C(C(CC1(=CC=C(OC)C(O)=C1))=[N+](C)2)3))'
p3640
sS'CPD-8417'
p3641
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p3642
sS'3-HYDROXYPHENYL-PROPIONATE'
p3643
S'C(CCC1(C=C(O)C=CC=1))(=O)[O-]'
p3644
sS'FRUCTOSE-2-PHOSPHATE'
p3645
S'C(C1(C(C(C(OP([O-])([O-])=O)(O1)CO)O)O))O'
p3646
sS'PROTOPINE'
p3647
S'CN4(CCC2(C=C1(C(OCO1)=CC=2C(=O)CC5(C=CC3(OCOC=3C(C4)=5)))))'
p3648
sS'GMP-LYSINE-PHOSPHORAMIDATE'
p3649
S'CC(=O)NC(C(=O)OC)CCCCNP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p3650
sS'CPD-16485'
p3651
S'CC(=O)NC3(C(CC(C(=O)[O-])(OCC2(OC(O[R])C(NC(C)=O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))O[CH]3C(O)C(O)CO)O)'
p3652
sS'CPD-16488'
p3653
S'C2(=O)(C1(C(=NC(O)=CN=1)N=C(N)N2))'
p3654
sS'CPD-267'
p3655
S'C1(C(=CC=C(C=1)O)CC(C(=O)[O-])NO)'
p3656
sS'CPD-266'
p3657
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(C(O)C=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p3658
sS'CPD-15670'
p3659
S'CC3(C(O)C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=[N+])O)'
p3660
sS'CPD-264'
p3661
S'CC(C)(C(O)C(NCCC(=O)NCCSC(C1(C=C(C=CC=1)O))=O)=O)COP(OP(OCC2(C(OP([O-])(=O)[O-])C(C(O2)N3(C=NC4(=C3N=CN=C(N)4)))O))(=O)[O-])([O-])=O'
p3662
sS'CPD-263'
p3663
S'C=C(C)C1(CCC(C)=CC(O)1)'
p3664
sS'CPD-262'
p3665
S'C(O)C(O)C(O)[CH]3(OC(C(=O)[O-])(OP(=O)([O-])OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))CC(O)C(NC(CO)=O)3)'
p3666
sS'CPD-261'
p3667
S'C=C(C1(CCC(=CC1)CO))C'
p3668
sS'DIOXINDOLE-3-ACETATE'
p3669
S'C([O-])(=O)CC1(O)(C(=O)NC2(C=CC=CC1=2))'
p3670
sS'D-GALACTARATE'
p3671
S'C(=O)([O-])C(O)C(O)C(O)C(O)C(=O)[O-]'
p3672
sS'3-OH-BENZALDEHYDE'
p3673
S'C(C1(C=CC=C(C=1)O))=O'
p3674
sS'3-CARBOXY-4-METHOXY-N-METHYL-2-PYRIDONE'
p3675
S'CN1(C=CC(OC)=C(C(=O)[O-])C(=O)1)'
p3676
sS'CPD-11591'
p3677
S'COC1(C(O)=CC=C(C=1)C=CC(=O)OCCCCCCCCCCCCCCCC(=O)[O-])'
p3678
sS'CPD-11590'
p3679
S'C(O)C1(=CC3(=C(C(O)=C1)C(=O)C4(C(C(C2(C(O)C(O)C(O)C(CO)O2))3)=CC=CC(O)=4)))'
p3680
sS'CPD-11592'
p3681
S'CC(C)=CCNC2(C1(N=CN(C=1N=C(SC)N=2)C3(OC(COP(O[a'
p3682
sS'CPD-11595'
p3683
S'CCCCCCCCCCCCCCCO'
p3684
sS'CPD-11594'
p3685
S'C(O)CCCCCCCCCCCCCC([O-])=O'
p3686
sS'CPD-11597'
p3687
S'C([O-])(=O)COC1(C=CC(Cl)=CC=1)'
p3688
sS'6-HYDROXYHEXAN-6-OLIDE'
p3689
S'C1(CC(OC(CC1)=O)O)'
p3690
sS'CPD-8709'
p3691
S'CC(=C3(CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p3692
sS'CPD-17531'
p3693
S'C(C([N+])CC2(CCC(O)C1(OC12)))([O-])=O'
p3694
sS'CPD-17530'
p3695
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP(OP([O-])([O-])=O)([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p3696
sS'CPD-17535'
p3697
S'CC(=O)NC2(C(O)C1(OC(CO)1C(=O)C=2))'
p3698
sS'CPD-17534'
p3699
S'C1(=C(CO)C(C(C(C1[N+])O)O)O)'
p3700
sS'CPD-17289'
p3701
S'CCCCCCCCC=CCCCCCC(=O)[O-]'
p3702
sS'CPD-17288'
p3703
S'CCCCCCCCCCCO'
p3704
sS'CPD-17287'
p3705
S'CCCCCCCCCCO'
p3706
sS'2-KETO-3-DEOXY-6-P-GLUCONATE'
p3707
S'C(=O)([O-])C(=O)CC(O)C(O)COP([O-])(=O)[O-]'
p3708
sS'E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT'
p3709
S'COC(=O)CC(=CC(=O)[O-])C(=O)[O-]'
p3710
sS'CPD-13440'
p3711
S'C(O)C1(C(O)C(C(O)C(O1)O)OC2(OC(C(C(C(O)2)O)O)COS([O-])(=O)=O))'
p3712
sS'CPD-13443'
p3713
S'C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(O[CH]3(CO[CH](C(OS([O-])(=O)=O)2)C3O)))'
p3714
sS'CPD-13445'
p3715
S'C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(O[CH]3(CO[CH](C(O)2)C3O)))'
p3716
sS'CPD-13444'
p3717
S'C(O)C3(OC(OC2([CH]1(OC[CH](OC(O)C(OS([O-])(=O)=O)1)2)))C(O)C(O)C(OS(=O)([O-])=O)3)'
p3718
sS'CPD-13447'
p3719
S'C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(O[CH]3(CO[CH](C(OS([O-])(=O)=O)2)C3OC4(OC(CO)C(OS(=O)([O-])=O)C(C(O)4)OC5(O[CH]6(CO[CH](C(OS([O-])(=O)=O)5)C6O))))))'
p3720
sS'CPD-13446'
p3721
S'C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(O[CH]3(CO[CH](C(O)2)C3OC4(OC(CO)C(OS(=O)([O-])=O)C(C(O)4)OC5(O[CH]6(CO[CH](C(O)5)C6O))))))'
p3722
sS'CPD-13449'
p3723
S'C(O)C1(C(O)C(C(O)C(O)O1)OC2(O[CH]3(CO[CH](C(O)2)C3OC4(OC(C(O)C(C(O)4)OC5(O[CH]6(CO[CH](C(O)5)C6OC7(OC(C(O)C(C(O)7)OC8(O[CH]%12(CO[CH](C(O)8)C(OC9(OC(C(O)C(C(O)9)OC%11(O[CH]%10(CO[CH](C%10O)C(O)%11)))CO))%12)))CO))))CO))))'
p3724
sS'CPD-13448'
p3725
S'C(O)C1(OC(O)C(O)C(C(OS(=O)([O-])=O)1)OC2(O[CH]3(CO[CH](C(OS([O-])(=O)=O)2)C3OC4(OC(CO)C(OS(=O)([O-])=O)C(C(O)4)OC5(O[CH]6(CO[CH](C(OS([O-])(=O)=O)5)C6OC7(OC(CO)C(OS(=O)([O-])=O)C(C(O)7)OC8(O[CH]9(CO[CH](C(OS([O-])(=O)=O)8)C9O)))))))))'
p3726
sS'CPD-15673'
p3727
S'CC(=[N+])NC3(C(NC(=O)C)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C(=O)[O-])C(O)3)'
p3728
sS'CPD-10624'
p3729
S'C1(=C(C(Cl)=CC(O)C(O)1)Cl)'
p3730
sS'CPD-10626'
p3731
S'C1(C(=C(Cl)C=C(O)C(O)=1)Cl)'
p3732
sS'CPD-10627'
p3733
S'C1(C=C(Cl)C(Cl)=C(Cl)C=1)'
p3734
sS'CPD-10620'
p3735
S'C1(=C(Cl)C(Cl)=CC(Cl)=C(Cl)1)'
p3736
sS'CPD-10621'
p3737
S'C1(=C(Cl)C(Cl)(O)C(O)C(Cl)=C(Cl)1)'
p3738
sS'CPD-10622'
p3739
S'C1(C(Cl)=C(O)C([O-])=C(Cl)C(Cl)=1)'
p3740
sS'CPD-10623'
p3741
S'C1(=C(C(O)C(O)C(Cl)=C1Cl)Cl)'
p3742
sS'CPD-11627'
p3743
S'C1(CCC(C([O-])=O)C[N+]1)'
p3744
sS'CPD-11625'
p3745
S'C1(NC(C(N)=O)C[N+]C1)'
p3746
sS'CPD-10628'
p3747
S'C1(C(O)C(O)C(Cl)=C(Cl)C=1Cl)'
p3748
sS'CPD-11622'
p3749
S'C1([N+]C(C([O-])=O)CNC1)'
p3750
sS'CPD-11621'
p3751
S'C(=O)(N)C1([N+]CCC1)'
p3752
sS'CPD-11977'
p3753
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p3754
sS'CPD-11975'
p3755
S'CC(=O)NC2(C(OC1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])C(O)1))OC(C(C2O)O)CO)'
p3756
sS'CPD-11974'
p3757
S'C(N(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC([O-])=O)CCCC[N+]'
p3758
sS'CPD-11972'
p3759
S'C([N+])C(O)CCN(O)C(=O)CCC(=O)NCC(O)CCN(O)C(=O)CCC(=O)[O-]'
p3760
sS'CPD-11971'
p3761
S'C([N+])C(O)CCN(O)C(=O)CCC(=O)[O-]'
p3762
sS'CPD-11970'
p3763
S'C1(CCNC(CCC(N(CCCCCNC(CCC(N(CC1)O)=O)=O)O)=O)=O)'
p3764
sS'BARBITURATE'
p3765
S'[C-]1(C([N-]C(NC1=O)=O)=O)'
p3766
sS'QUINOLIN-34-DIOL'
p3767
S'C1(C=CC2(=NC=C(O)C(O)=C(C=1)2))'
p3768
sS'CPD-11978'
p3769
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p3770
sS'CPD-17755'
p3771
S'CC(=O)NC2(C(O)OC(CO)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))C(O)2)'
p3772
sS'CPD-17757'
p3773
S'CC(=O)NC2(C(O)OC(COS(=O)(=O)[O-])C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)'
p3774
sS'CPD-17756'
p3775
S'CC(=O)NC2(C(O)OC(COS(=O)(=O)[O-])C(OC1(OC(C([O-])=O)=CC(O)C(O)1))C(O)2)'
p3776
sS'CPD-17751'
p3777
S'CC2(C(OC1(OC(C(=O)[O-])=CC(O)C(O)1))C(C(C(O2)O)O)OS([O-])(=O)=O)'
p3778
sS'3-DEHYDRO-SHIKIMATE'
p3779
S'C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)'
p3780
sS'D-TRYPTOPHAN'
p3781
S'C2(NC1(C=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p3782
sS'CPD-15390'
p3783
S'C(O)C1(OC(CC(OP(=O)([O-])[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p3784
sS'CPD-13199'
p3785
S'C1(=C(C=CC(=C1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)O)O)O))O)O))[N+]([O-])=O)'
p3786
sS'PHENOL'
p3787
S'C1(=CC=C(O)C=C1)'
p3788
sS'CPD-6983'
p3789
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(C=CC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p3790
sS'CPD-6982'
p3791
S'C(C(CC1(C=CC(O)=C(O)C=1))O)(=O)[O-]'
p3792
sS'CPD-6981'
p3793
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(C([O-])=O)CC2(C=CC(=C(C=2)O)O))=O'
p3794
sS'CPD-6984'
p3795
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p3796
sS'CPD-6989'
p3797
S'C(=CC1(OC(=O)C=C([O-])C=1))C2(=CC(O)=C(C=C2)O)'
p3798
sS'CPD1F-115'
p3799
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC=C1C)(C)C))C)C)C)C)C)C'
p3800
sS'LANOSTEROL'
p3801
S'CC(C)=CCCC([CH]1(C2(C)(C(C)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p3802
sS'CPD-10080'
p3803
S'C(O)C2(C(NC(=O)C(CC1(C=CC(O)=CC=1))[N+])C(O)C(O2)N3(C4(=C(N=C3)C(N)=NC=N4)))'
p3804
sS'CPD-10081'
p3805
S'COC1(C=CC(=CC=1)C2(C(C4(C(OC=2)=CC(OC3(OC(COC(CC([O-])=O)=O)C(O)C(O)C(O)3))=C(OC)C=4))=O))'
p3806
sS'EPOXYSQUALENE'
p3807
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[CH]1(C(C)(C)O1)'
p3808
sS'CPD-10083'
p3809
S'CC(=O)NC(CC1(C=CC(O)=CC=1))C(=O)NC2(C(O)C(OC(CO)2)N3(C4(=C(N=C3)C(NC)=NC=N4)))'
p3810
sS'CPD-10085'
p3811
S'CC1(C(O)CCCC1)'
p3812
sS'CPD-10086'
p3813
S'CC1(CC(O)CCC1)'
p3814
sS'CPD-10087'
p3815
S'CCC1(C(O)CCCC1)'
p3816
sS'CPD-10088'
p3817
S'CC(=O)NC(CC1(C=CC(O)=CC=1))C(=O)NC2(C(O)C(OC(CO)2)N3(C4(=C(N=C3)C(N(C)C)=NC=N4)))'
p3818
sS'CPD-10089'
p3819
S'CC1(=CC(O)CC(C)(C)C1)'
p3820
sS'CPD-18448'
p3821
S'CC1(=C(O)C(N)=C(C=C1)C(=O)OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)'
p3822
sS'CPD-18449'
p3823
S'CC1(=CC=C(C=C1)C(=O)OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)'
p3824
sS'CPD-18230'
p3825
S'CC(C)C(C([O-])=O)NC(=O)C(C)NC(=O)C(N)C([N+])CCCC(O)CC1(NC(=N)N(C(N)=O)C1)'
p3826
sS'CPD-18440'
p3827
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC=CC=CC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3828
sS'CPD-18441'
p3829
S'CC1(=CC=C2(C(=C1O)NC(C3(CC(C=CC(N)=O)=CN(C2=O)3))O))'
p3830
sS'CPD-18442'
p3831
S'CC=CC2(=CN3(C(C1(=CC(=C(C)C(=C1NC([CH](C2)3)O)O)OC4(C(C(C)(C(C(C)O4)NC)O)O)))=O))'
p3832
sS'CPD-18444'
p3833
S'CC(C2(C1(C=CC=CC=1NC=2)))C([N+])C(=O)[O-]'
p3834
sS'CPD-18445'
p3835
S'CCC(C)C2(N(C)C(=O)CN(C)C(=O)[CH]1(CCCN1C(C(C(C)C)NC(=O)C(C(OC2=O)C)NC(=O)C7(C=CC(C)=C3(C(N=C6(C(O3)=C(C)C(=O)C(N)=C(C(=O)NC5(C(OC(C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]4(CCCN4C(C(C(C)C)NC(=O)5)=O))=O)C))6))=7)))=O))'
p3836
sS'CPD-18446'
p3837
S'CCC(C)C2(N(C)C(=O)CN(C)C(=O)[CH]1(CCCN1C(C(C(C)C)NC(=O)C(C(OC2=O)C)NC(=O)C7(C=CC(C)=C3(C(N=C6(C(O3)=C(C)C(=O)C(N)=C(C(=O)NC5(C(OC(C(C(C)CC)N(C)C(=O)CN(C)C(=O)[CH]4(CCCN4C(C(C(C)C)NC(=O)5)=O))=O)C))6))=7)))=O))'
p3838
sS'CPD-18447'
p3839
S'CC1(=CC=C(C(=O)[O-])C2(N=C3(C(OC1=2)=C(C)C(=O)C(N)=C(C(=O)[O-])3)))'
p3840
sS'CPD-15678'
p3841
S'CCCCCCC=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3842
sS'CPD-15679'
p3843
S'CCCCCCC=CCCCCCCCCC([O-])=O'
p3844
sS'UNDECAPRENYL-DIPHOSPHATE'
p3845
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])[O-])C)C)C'
p3846
sS'CPD0-1378'
p3847
S'C(O)C(C(=O)NO)[N+]'
p3848
sS'CPD0-1379'
p3849
S'COC(=O)C(N)CO'
p3850
sS'CPD-12950'
p3851
S'CC1(CC2(O)([CH](C(=O)C=1)C3(C(C(=O)C2)=C(O)C4(=C(C=3)C=CC=C(O)4))))'
p3852
sS'CPD-12951'
p3853
S'CC1(=CC2(=C(C(O)=C1)C3(C(C(O)=C2)=C(O)C4(=C(C(O)=3)C=CC=C(O)4))))'
p3854
sS'CPD-15672'
p3855
S'CC1(C(O)C(C(C(O)O1)NC(C)=[N+])O)'
p3856
sS'CPD0-1375'
p3857
S'C([N+])CCCCC(CC[N+])SCC1(OC(C(C1O)O)N2(C=NC3(=C2N=CN=C3N)))'
p3858
sS'CPD0-1372'
p3859
S'C(P(=O)(O)[O-])C1(C(O)C(O)CC(C(O)O)O1)'
p3860
sS'CPD-15675'
p3861
S'CCCCCCC=CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3862
sS'CPD-15676'
p3863
S'CCCCCCC=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3864
sS'CPD-15677'
p3865
S'CCCCCCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p3866
sS'4-HYDROXY-BUTYRATE'
p3867
S'C(CCC([O-])=O)O'
p3868
sS'6-THIO-OCTANOATE'
p3869
S'CCC(S)CCCCC(=O)[O-]'
p3870
sS'CPD-734'
p3871
S'CCC=CCC1(C(=O)CCC1CC([O-])=O)'
p3872
sS'17-O-ACETYLNORAJMALINE'
p3873
S'CCC4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p3874
sS'CPD-4581'
p3875
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(=O)CCC(C)1C=2CCC(C)34))))'
p3876
sS'CPD-4580'
p3877
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C([CH]=O)C(O)CCC(C)1C=2CCC(C)34))))'
p3878
sS'CPD-4585'
p3879
S'CC(C=CCCC(OC3(C1(OC(OC(C1(O)C(=O)[O-])C([O-])=O)(CCCC(OC(=O)C)C(C)CC2(C=CC=CC=2))C3O)C(=O)[O-]))=O)CCCC4(C=CC=CC=4)'
p3880
sS'CPD-16022'
p3881
S'C=C(C)Cl'
p3882
sS'CPD-4587'
p3883
S'COC1(C4(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC5(C=CC=C(C(C4=O)=5)O)))'
p3884
sS'CPD-4586'
p3885
S'C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))'
p3886
sS'CPD-18624'
p3887
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)CCCCCCCCCCCCCCCCC4(=CC=C(O)C=C4))([O-])=O'
p3888
sS'CPD-18625'
p3889
S'CCCCCCCCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p3890
sS'CPD-18626'
p3891
S'CCCCCCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p3892
sS'CPD-18627'
p3893
S'CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC'
p3894
sS'ORCINOL-CPD'
p3895
S'CC1(C=C(C=C(C=1)O)O)'
p3896
sS'CPD-18623'
p3897
S'C(CCCCCCCC1(=CC=C(O)C=C1))CCCCCCCCC(=O)[O-]'
p3898
sS'34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY'
p3899
S'C1(CSCC(=N1)C(=O)[O-])'
p3900
sS'CPD-15908'
p3901
S'CC(C)=CC(O)CC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p3902
sS'CPD-15909'
p3903
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p3904
sS'CPD-15459'
p3905
S'C(C2(C(C(O)C([N+])C(OC1(C(O)C(O)C(O)C(O)C1O))O2)O))O'
p3906
sS'CPD-12489'
p3907
S'CN2(C1(=C(NC(=O)N1)C(=O)NC(=O)2))'
p3908
sS'CPD-15454'
p3909
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)O)))C)'
p3910
sS'CPD-12487'
p3911
S'C(S(=O)SCC1(C=CC=CC=1))C2(=CC=CC=C2)'
p3912
sS'CPD-12484'
p3913
S'CNC(=O)NC'
p3914
sS'CPD-15901'
p3915
S'CC1(=NC(C)=C(C)N=C(C)1)'
p3916
sS'CPD-12482'
p3917
S'CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))'
p3918
sS'CPD-12483'
p3919
S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2))'
p3920
sS'CPD-12480'
p3921
S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N(C)2))'
p3922
sS'CPD-12481'
p3923
S'CN1(C(=O)NC2(=C1C(=O)NC(=O)N2))'
p3924
sS'CPD-7171'
p3925
S'CCCCCC1(=CC2(OC(CCC=C(C)C)(C=CC(C(=C1C([O-])=O)O)=2)C))'
p3926
sS'CPD-7170'
p3927
S'CCCCCC1(=CC(O)=C(C(=C1C([O-])=O)O)C2(C=C(CCC2C(C)=C)C))'
p3928
sS'CPD-7173'
p3929
S'CCCCCC1(=CC(O)=C(C(=C1)O)C2(C=C(CCC2C(C)=C)C))'
p3930
sS'CPD-7172'
p3931
S'CCCCCC2(=CC3(OC(C1(CCC(=CC1C(C(=C2)O)=3)C))(C)C))'
p3932
sS'CPD-7175'
p3933
S'CCCCCC1(=CC(O)=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)'
p3934
sS'CPD-7174'
p3935
S'CCCCCC1(=CC2(OC(CCC=C(C)C)(C=CC(C(=C1)O)=2)C))'
p3936
sS'DIMETHYLBENZIMIDAZOLE'
p3937
S'CC2(C(C)=CC1(=C(N=CN1)C=2))'
p3938
sS'CDP-ETHANOLAMINE'
p3939
S'C(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)[N+]'
p3940
sS'FLUORO-CITRATE'
p3941
S'C(=O)([O-])CC(O)(C(=O)[O-])C(F)C(=O)[O-]'
p3942
sS'1-PHOSPHATIDYL-MYO-INOSITOL'
p3943
S'C(C(OC([R1])=O)COP(OC1(C(C(C(C(C1O)O)O)O)O))([O-])=O)OC([R2])=O'
p3944
sS'CPD-14524'
p3945
S'CC(CCC(O)C(O)C(C=O)O)C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))'
p3946
sS'CPD-15038'
p3947
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(O)(=O)[S-]'
p3948
sS'CHLOROPHYLLIDE-A'
p3949
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p3950
sS'CPD-2188'
p3951
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p3952
sS'CPD-2187'
p3953
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p3954
sS'CPD-2186'
p3955
S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p3956
sS'CPD-2185'
p3957
S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p3958
sS'2-AMINO-5-OXOCYCLOHEX-1-ENECARBOXYL-COA'
p3959
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CC(=O)CCC(N)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p3960
sS'CPD-2183'
p3961
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p3962
sS'CPD-2182'
p3963
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p3964
sS'CPD-2181'
p3965
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p3966
sS'CPD-14508'
p3967
S'C=C1(CC25(CC(O)1CCC(C4(C(CC2)C(C(OC3(OC(CO)C(O)C(O)C(O)3))=O)(C)CCC4)C)5))'
p3968
sS'CPD-14501'
p3969
S'C=C1(CC24(CC(O)1CCC(C3(C(CC2)C(C(O)=O)(C)CCC3)C)4))'
p3970
sS'CPD-11020'
p3971
S'C(=O)([O-])C(=O)CC(O)CCl'
p3972
sS'CPD-14503'
p3973
S'C=C3(CC46(CC(OC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))3CCC(C5(C(CC4)C(C(O)=O)(C)CCC5)C)6))'
p3974
sS'CPD-14502'
p3975
S'C=C2(CC35(CC(OC1(OC(CO)C(O)C(O)C(O)1))2CCC(C4(C(CC3)C(C(O)=O)(C)CCC4)C)5))'
p3976
sS'CPD-14505'
p3977
S'C=C2(CC36(CC(OC1(OC(CO)C(O)C(O)C(O)1))2CCC(C5(C(CC3)C(C(OC4(OC(CO)C(O)C(O)C(O)4))=O)(C)CCC5)C)6))'
p3978
sS'CPD-14504'
p3979
S'C=C3(CC47(CC(OC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))3CCC(C6(C(CC4)C(C(OC5(OC(CO)C(O)C(O)C(O)5))=O)(C)CCC6)C)7))'
p3980
sS'CPD-14507'
p3981
S'C=C1(CC57(CC1C(OC4(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))4))CC(C6(C(CC5)C(C(O)=O)(C)CCC6)C)7))'
p3982
sS'CPD-14506'
p3983
S'C=C1(CC58(CC1C(OC4(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))4))CC(C7(C(CC5)C(C(OC6(OC(CO)C(O)C(O)C(O)6))=O)(C)CCC7)C)8))'
p3984
sS'CPD0-2480'
p3985
S'CP([O-])(=O)OC1(C(C(C(O1)COP(=O)([O-])[O-])O)O)'
p3986
sS'CPD0-2483'
p3987
S'C(O)C(NC(C1(C=CC=C(C=1O)O))=O)C(=O)OCC(NC(=O)C2(C(=C(C=CC=2)O)O))C(=O)OCC(C([O-])=O)NC(C3(C(O)=C(C=CC=3)O))=O'
p3988
sS'CPD0-2482'
p3989
S'C(O)C5(NC(C1(C=CC=C2(C=1O[Fe---]468(O2)(OC3(C=CC=C(C=3O4)C(=O)NC(COC(=O)5)C(=O)OCC(C(O)=O)NC(C7(C(O6)=C(C=CC=7)O8))=O)))))=O)'
p3990
sS'CPD0-2486'
p3991
S'C(O)C(O)[CH]1(C(O)C(O)C(O1)O)'
p3992
sS'CPD0-2489'
p3993
S'C([N+](=O)[O-])C(O)C(=O)[O-]'
p3994
sS'ALKYL-SN-GLYCERO-PHOSPHOETHANOLAMINE'
p3995
S'C([N+])COP([O-])(=O)OCC(O)CO[R]'
p3996
sS'CPD-458'
p3997
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O'
p3998
sS'CPD-459'
p3999
S'C(C2(OC(OC1(C=CC=CC=1C=CC([O-])=O))C(C(C2O)O)O))O'
p4000
sS'CPD-454'
p4001
S'C(C1(OC(C(C1O)O)(CO)OC2(OC(C(C(C2O)O)O)CO)))OC3(OC(C(C(C3O)O)O)CO)'
p4002
sS'CPD-455'
p4003
S'CC1(=C(C(=C(C=N1)COC2(OC(C(C(C2O)O)O)CO))CO)O)'
p4004
sS'CPD-456'
p4005
S'C(C(OC1(OC(C(O)C(C1O)O)CO))COP([O-])([O-])=O)O'
p4006
sS'CPD-457'
p4007
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(=CC=C(C=CC([O-])=O)C=C2))'
p4008
sS'CPD-982'
p4009
S'CC2(=CC1(C(=CC=C(C=1O)O)NC2=O))'
p4010
sS'CPD-983'
p4011
S'CC1(C(=O)NC(C=CC(C(=O)[O-])=O)=C(C=1)O)'
p4012
sS'CPD-981'
p4013
S'CC2(=CC1(=C(C=CC(C1O)O)NC2=O))'
p4014
sS'CPD-7262'
p4015
S'CC(CCCOS(=O)(=O)[O-])C2(CCC3(C4(C(CC1(CC(CCC(C)1C(CC(C(C)23)O)4)O))O)))'
p4016
sS'N2ACETYL-ALPHA-NP'
p4017
S'CC(=O)NC(CCCC(=O)OP(=O)([O-])[O-])C(=O)[O-]'
p4018
sS'R-VICIANIN'
p4019
S'C3(OC(OCC2(OC(OC(C#N)C1(C=CC=CC=1))C(O)C(O)C(O)2))C(O)C(O)C(O)3)'
p4020
sS'CPD-17647'
p4021
S'CCCCCC(O)CCCCCCO'
p4022
sS'CPD-17394'
p4023
S'C=CC(C)(C)C15(C2(NC(=O)C(N(C(=O)C(O)C1)2)=CC3(=CNC=N3))N(OC)C4(C=CC=CC=45))'
p4024
sS'CPD-8808'
p4025
S'CC(C1(C2(C=C(C=CC(C(=CC1)C)=2)C)))C'
p4026
sS'CPD-8809'
p4027
S'C=C([CH]1(C[CH]2(C(=CCCC(CC1)2C)C)))C'
p4028
sS'CPD-19172'
p4029
S'CCCCCCCCC=CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4030
sS'CPD-19171'
p4031
S'CCCCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4032
sS'CPD-19170'
p4033
S'CCCCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4034
sS'CPD-9407'
p4035
S'CC(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4036
sS'CPD-9406'
p4037
S'CCC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C([O-])=O'
p4038
sS'CPD-8802'
p4039
S'CC(C)C1(CCC2(C3(C1C2CCC(=C)3))(C))'
p4040
sS'CPD-8803'
p4041
S'CC(C)C1(CCC(C)C23(C([CH]12)C(=C)CC3))'
p4042
sS'CPD-9403'
p4043
S'C([O-])(=O)CC1([N+]C(C(=O)[O-])CC1)'
p4044
sS'3-SULFINOALANINE'
p4045
S'C(C([N+])C(=O)[O-])S([O-])=O'
p4046
sS'CPD-8807'
p4047
S'CC(C1(C2(C=C(C=CC(C(CC=1)C)=2)C)))C'
p4048
sS'CPD-8750'
p4049
S'CC(C1(CC=C(C2(CCC(C(C=1)2)C))C))C'
p4050
sS'CPD-679'
p4051
S'CC5(CCC([O-])=O)(C(CC([O-])=O)[CH]3(N=C(CC1(C(CCC([O-])=O)=C(CC(=O)[O-])C(C)(N=1)CC2(N=C(C(C)(CC([O-])=O)C=2CCC([O-])=O)C=C4(C(C(C3(C)N4)(C)CC([O-])=O)CCC(=O)[O-]))))5))'
p4052
sS'CPD-8752'
p4053
S'C=C1(C3(C2(C(CCCC(C(CC1)2)3C)(C)C)))'
p4054
sS'CPD-8753'
p4055
S'CC3(CC[CH]1(C(C)(C)[CH]1[CH]2([CH](CCC(=C)2)3)))'
p4056
sS'CPD-8754'
p4057
S'CC1(=CCC2(CC1C2(C)C))'
p4058
sS'CPD-17393'
p4059
S'C=CC(C)(C)C23(CC5(N(C(N(OC)C1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p4060
sS'CPD-8204'
p4061
S'CCCCCC=CC=CC(CCCCCCCC(=O)[O-])O'
p4062
sS'CPD-8757'
p4063
S'COC2(=CC(CCN=CC=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=CC=C2O)'
p4064
sS'CPD-670'
p4065
S'C1(=CC=NN1CC([N+])C(=O)[O-])'
p4066
sS'CPD-672'
p4067
S'CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[N+]'
p4068
sS'CPD-8209'
p4069
S'C(C1(N2(C(=CC=C1)C(S[Cu]2(Cl)Cl)=O)))(S)=O'
p4070
sS'CPD-674'
p4071
S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p4072
sS'CPD-675'
p4073
S'CC5(C3(=NC(C4(NC(=CC1(C(C(CCC(=O)[O-])=C(N=1)CC2(C(=C(CCC(=O)[O-])C(=N2)C3)CC([O-])=O)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)4)C)=C(CC(=O)[O-])5))CCC(=O)[O-]'
p4074
sS'CPD-676'
p4075
S'C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)'
p4076
sS'CPD-677'
p4077
S'C(C(C(=O)[O-])[N+])OC(N)=O'
p4078
sS'CPD-18523'
p4079
S'COC2(C=CC=CC(OC(C(C1(=CC(OC)=C(O)C=C1))O)CO)=2)'
p4080
sS'CPD-1181'
p4081
S'C2(=CC(CO)=C(OC1(OC(COP([O-])([O-])=O)C(O)C(O)C(O)1))C=C2)'
p4082
sS'CPD-18522'
p4083
S'COC2(C=CC=CC(OC(C(C1(=CC(OC)=C(OC)C=C1))O)CO)=2)'
p4084
sS'20-OH-LTB4'
p4085
S'C(O)CCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]'
p4086
sS'CPD-18527'
p4087
S'CC1(=CN(C(=O)NC(=O)1)C2(CCC(COP(=O)([O-])[O-])O2))'
p4088
sS'CPD-14809'
p4089
S'CC1(=CC=C(C=C1)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-])'
p4090
sS'CPD-11878'
p4091
S'C(O)C(O)C1(C=CC(O)=C(O)C=1)'
p4092
sS'CPD-18836'
p4093
S'CC(O)(CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p4094
sS'ISOQUINOLINE'
p4095
S'C1(N=CC2(C=CC=CC(C=1)=2))'
p4096
sS'FORMYCIN-A'
p4097
S'C1(N=C(N)C2(NNC(C(N=1)=2)C3(OC(CO)C(O)C(O)3)))'
p4098
sS'CPD-18528'
p4099
S'CC1(=CN(C(=O)NC(=O)1)C2(CCC(CO)O2))'
p4100
sS'CPD0-1909'
p4101
S'CCCC(C(=O)NC(C([O-])=O)CNC(C=CC(=O)OC)=O)[N+]'
p4102
sS'CPD0-1908'
p4103
S'COC(C=CC(NCC(C(=O)[O-])NC(C(CCSC)[N+])=O)=O)=O'
p4104
sS'3-MERCAPTO-2-MERCAPTOMETHYLPROPANOATE'
p4105
S'C(S)C(CS)C(=O)[O-]'
p4106
sS'CPD0-1905'
p4107
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p4108
sS'CPD-14800'
p4109
S'CC(C)=CC1(CCC(C)[CH]2(CCC(C)=C12))'
p4110
sS'CPD0-1907'
p4111
S'COC(C=CC(NCC(C(=O)[O-])NC(C(CCCC[N+])[N+])=O)=O)=O'
p4112
sS'CPD0-1906'
p4113
S'CC(C)CC(C(=O)[O-])NC(C(CNC(C=CC(=O)OC)=O)[N+])=O'
p4114
sS'CPD0-1901'
p4115
S'C1(C=CC(F)=C(C=1)CC(N)C(=O)O)'
p4116
sS'CPD0-1900'
p4117
S'C1(C=C(F)C=CC=1CC(N)C(=O)O)'
p4118
sS'CPD-186'
p4119
S'C(CC(=CC(C([O-])=O)=O)C([O-])=O)([O-])=O'
p4120
sS'CPD-184'
p4121
S'C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O)'
p4122
sS'CPD-185'
p4123
S'C(C=C(C=C(C([O-])=O)O)C([O-])=O)([O-])=O'
p4124
sS'CPD-182'
p4125
S'CC1(=CC(OC2(C=C(O)C=CC1=2))=O)'
p4126
sS'CPD-183'
p4127
S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p4128
sS'CPD-180'
p4129
S'C1(C(C(C(C(C1O)O)OP([O-])([O-])=O)O)O)[N+]'
p4130
sS'CPD-181'
p4131
S'CC2(=CC(OC1(=C(C=CC(OC(=O)C)=C1)2))=O)'
p4132
sS'CPD-14051'
p4133
S'C(=O)([O-])C(NO)CCCCCCSC'
p4134
sS'L-2-AMINOHEXANOATE'
p4135
S'CCCCC([N+])C([O-])=O'
p4136
sS'CPD-188'
p4137
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO'
p4138
sS'CPD-16839'
p4139
S'CC(C)C2(=C1(C(C(C(C)[CH]3(C(=CC1(C(C2)O)C)C(COC)CC3))O)OC4(C(O)C(O)C(O)C(CO)O4)))'
p4140
sS'CPD-16838'
p4141
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)C2=C3)))'
p4142
sS'CPD-16833'
p4143
S'CC(C)C1(C(=O)C(=C)C3(O)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p4144
sS'CPD-16832'
p4145
S'CC(C)C1(CC(O)C3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p4146
sS'CPD-16831'
p4147
S'CC(C)C1(C(=O)CC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p4148
sS'CPD-16830'
p4149
S'CC(C)C1(C(=O)C(C)[CH]3(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p4150
sS'CPD-16837'
p4151
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C=O)C2=C3)))'
p4152
sS'CPD-16347'
p4153
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4154
sS'CPD-16834'
p4155
S'CC(C)C1(C(=O)C(OC(=O)C)(C)C3(O)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p4156
sS'CPD-12101'
p4157
S'CC(=O)N(O)CCCC([N+])C(=O)[O-]'
p4158
sS'CPD-12100'
p4159
S'CC(C)=CCCC(C)(OC1(OC(CO)C(C(O)C(O)1)O))[CH]4(CCC5(C6(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)OC3(OC(CO)C(C(O)C(O)3)O))[CH](CC(O)[CH]45)6)))(C))'
p4160
sS'N2-SUCCINYLORNITHINE'
p4161
S'C(CCC(C([O-])=O)NC(=O)CCC([O-])=O)[N+]'
p4162
sS'CPD-12104'
p4163
S'CC(C)=CCCC(C)(O)[CH]1(CCC5(C)([CH]1C(O)C[CH]4(C(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)OC3(OC(CO)C(C(O)C(O)3)O))4))5)))'
p4164
sS'TETCYCLACIS'
p4165
S'C1(=C(C=CC(=C1)N5(C3(C(C2(C4(C(C(C2)3)N=N4)))N=N5)))Cl)'
p4166
sS'TARTRONATE-S-ALD'
p4167
S'[CH](=O)C(O)C(=O)[O-]'
p4168
sS'CPD-10163'
p4169
S'CCCCCC(O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p4170
sS'CPD-10162'
p4171
S'CCCCCC(=O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p4172
sS'CPD-18300'
p4173
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=C(OC)C=C2))3))'
p4174
sS'CPD-10167'
p4175
S'CC12(CCCC(O1)C3(C(O2)=CC4(=C(C(O)=3)C(=O)C5(=C(C(=O)4)C=C([O-])C=C(O)5))))'
p4176
sS'CPD-10166'
p4177
S'CC(=O)CCCC(O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p4178
sS'CPD-10165'
p4179
S'CC(O)CCCC(O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p4180
sS'CPD-10169'
p4181
S'CC(=O)CCC(C1(C([O-])=CC2(=C(C(O)=1)C(=O)C3(=C(C(=O)2)C=C([O-])C=C(O)3))))CO'
p4182
sS'CPD-18530'
p4183
S'CC(C)C3(C(OCC(NC(=O)C2(=CN=C1(C=CC=CC1=N2)))C(=O)NC(C)C(=O)N(C)C4(C(=O)N(C)C(C(C)C)C(=O)OCC(C(NC(C)C(=O)N(C)C(C(=O)N(C)3)CSC(SC)4)=O)NC(=O)C6(=CN=C5(C=CC=CC5=N6))))=O)'
p4184
sS'CPD-18654'
p4185
S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p4186
sS'CPD-7917'
p4187
S'CCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCC'
p4188
sS'CPD-7916'
p4189
S'CCCCCC=CCC=CCCCCCCCCCCCCCCCCC'
p4190
sS'CPD-7915'
p4191
S'CCCCCC=CCC=CCCCCCCCCCCCCCCCCCCC'
p4192
sS'CPD-7914'
p4193
S'CCCCCCCCCCCCCCCCCCCCCCCCC=CCCC[CH]=O'
p4194
sS'CPD-7913'
p4195
S'CCCCCCCCCCCCCCCCCCCCCCC=CCCC[CH]=O'
p4196
sS'CPD-7912'
p4197
S'CCCCCCCCCCCCCCCCCCCCC=CCCC[CH]=O'
p4198
sS'CPD-7911'
p4199
S'CCCC=CCCCCCCCCCCCCCCCCCC'
p4200
sS'CPD-7910'
p4201
S'CCCC=CCCCCCCCCCCCCCCCCCCCC'
p4202
sS'CPD-19119'
p4203
S'CCCCCCCC(=O)CC(C1(C(=CC=CC=1)NO))=O'
p4204
sS'CPD-18304'
p4205
S'CC2(C)(OC(C1(CC12))(C)C=CC4(=C(O)C3(C(O)(C(OC)C(=O)NC=3C=C4)C5(C=CC(OC)=CC=5))))'
p4206
sS'CPD-7919'
p4207
S'CCCCCC=CCCCCCCCCCCCCCCCCCCCCCC'
p4208
sS'CPD-19118'
p4209
S'C([O-])(=O)CC(C1(C(=CC=CC=1)NO))=O'
p4210
sS'CPD-14884'
p4211
S'C1(C(S(=O)([O-])=O)=CC(N)=C(O)C=1)'
p4212
sS'CPD-14885'
p4213
S'C(=O)([O-])C1(C=C(N)C=CC=1)'
p4214
sS'CPD-14886'
p4215
S'COC2(C(OC1(C(C(C(O)C(O1)CO)O)O))=CC(=CC=2)C3(OC4(C(C(=O)C=3OC)=C(O)C(O)=C(OC)C=4)))'
p4216
sS'CPD-14887'
p4217
S'COC4(C(O)=C3(C(=O)C(=C(C2(C=C(OC1(C(C(C(O)C(O1)CO)O)O))C(OC)=CC=2))OC3=CC(OC)=4)OC))'
p4218
sS'HYDROXYNAPHTHOATE'
p4219
S'C2(C=C1(C=CC(=C(O)C1=CC=2)C([O-])=O))'
p4220
sS'CPD-14883'
p4221
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(C(=CC(CC2(C)C)O)C)'
p4222
sS'THZ-P'
p4223
S'CC1(N=CSC(CCOP([O-])(=O)[O-])=1)'
p4224
sS'CPD-14888'
p4225
S'COC1(C(=CC=C(OC)C(O)=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p4226
sS'CPD-14889'
p4227
S'C=C(C)C(C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p4228
sS'2-DEOXY-D-GLUCOSE-6-PHOSPHATE'
p4229
S'C(OP(=O)([O-])[O-])C1(OC(O)CC(O)C(O)1)'
p4230
sS'CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P'
p4231
S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CNC1(C=CC=CC(C(=O)[O-])=1)'
p4232
sS'CPD-10730'
p4233
S'C(O)C1(OC(O)(CO)C(O)C(O)1)'
p4234
sS'CPD-19110'
p4235
S'C(O)C4(C(O)C(O)C(O)C(OC1(=CC(=CC=C(O)1)C2(OC3(C(CC(O)2)=C(O)C=C(O)C=3))))O4)'
p4236
sS'CPD-4462'
p4237
S'C4(OC1(C=C(O)C=CC=1[CH]5(OC3(C=C2(OCOC2=CC=3[CH]45)))))'
p4238
sS'CPD-9983'
p4239
S'C([O-])(=O)CNC(=O)C1(C(O)=C(O)C=CC=1)'
p4240
sS'CPD-9980'
p4241
S'CC1(CC[CH]2(C(=COC(O)[CH]12)C(=O)[O-]))'
p4242
sS'CPD-9981'
p4243
S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))'
p4244
sS'CPD-9986'
p4245
S'C(OC(=O)CC(CC(NCCC(C([O-])=O)N1(C(=O)CCC(O)(C([O-])=O)1))=O)(O)C([O-])=O)CN2(C(C([O-])=O)(O)CCC(=O)2)'
p4246
sS'CPD-14089'
p4247
S'C=CC(CCC=C(C)C)(OP([O-])(=O)OP([O-])(=O)[O-])C'
p4248
sS'CPD-9984'
p4249
S'CC1(C(C(=O)OC(C)C(C(=O)OC(C)C(C(=O)O1)NC(CNC(C2(C=CC=C(C=2O)O))=O)=O)NC(CNC(C3(C=CC=C(C=3O)O))=O)=O)NC(CNC(C4(C=CC=C(C=4O)O))=O)=O)'
p4250
sS'CPD-9985'
p4251
S'C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCCNC(C1(C=CC(O)=C(O)C=1))=O)CCNC(C2(C=CC(O)=C(O)C=2))=O'
p4252
sS'CPD-14086'
p4253
S'CC(C([N+])C([O-])=O)CC[N+]'
p4254
sS'CPD-14087'
p4255
S'CC2(OC(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)'
p4256
sS'CPD-14080'
p4257
S'C(=O)(O)CN(CC(=O)O)C1(CCCCC(N(CC(=O)O)CC(=O)O)1)'
p4258
sS'CPD-14081'
p4259
S'C1([O-])(=NC(=O)C(O)=CC1=C2(C([O-])=NC(=O)C(O)=C2))'
p4260
sS'CPD-14082'
p4261
S'C1(O)(N=C(O)C(O)=CC=1C2(=C(O)N=C(O)C(O)=C2))'
p4262
sS'CPD-10737'
p4263
S'C(O)C(O)C(O)[CH]3(OC(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)(CC(C3O)O)C([O-])=O)'
p4264
sS'CPD0-2105'
p4265
S'CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4266
sS'CPD0-2106'
p4267
S'CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4268
sS'CPD0-2107'
p4269
S'CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p4270
sS'CPD-10734'
p4271
S'C(O)C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O'
p4272
sS'CPD0-2102'
p4273
S'CC2(=C(CCOP(=O)([O-])OP(=O)([O-])OC(CCC(=O)[O-])O)SC=[N+](CC1(=CN=C(C)N=C1N))2)'
p4274
sS'1-DEOXYNOJIRIMYCIN'
p4275
S'C1([N+]C(CO)C(O)C(O)C(O)1)'
p4276
sS'XANTHURENATE'
p4277
S'C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))'
p4278
sS'CPD0-2108'
p4279
S'CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p4280
sS'CPD-13278'
p4281
S'CC(C)=CCCC(C)C1(CCC2(C=1CC[CH]3(C(C)2CC[CH]4(C(C)3CCC(O)C(C)(C)4)))(C))'
p4282
sS'CPD-13279'
p4283
S'CC(C)=CCCC(C)C1(CCC2(C1(C)CCC3(C2=CC[CH]4(C(C)3CCC(O)C(C)(C)4)))(C))'
p4284
sS'CPD-17933'
p4285
S'C(O)C(=O)COC1(C(O)C(C(O)C(CS(=O)(=O)[O-])O1)O)'
p4286
sS'N-ACETYL-D-MANNOSAMINE-6P'
p4287
S'CC(=O)NC1(C(O)OC(COP([O-])(=O)[O-])C(O)C(O)1)'
p4288
sS'THIAZOL-YL-INDOLE'
p4289
S'C3(N=C(C2(=CNC1(C=CC=CC=12)))SC=3)'
p4290
sS'CPD-7733'
p4291
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1N(C(C)=2)O))=O)'
p4292
sS'CPD-13270'
p4293
S'CC(C)=CCCC(C)(O)[CH]1(CCC(C)=CC1)'
p4294
sS'CPD-13275'
p4295
S'CC5(C)(C(CCC4(C)(C(CCC1(=C(CCC2(C)(C3(CC(C(=O)[O-])(C)CCC(C)(CCC(C)12)3)))4))5))O)'
p4296
sS'CPD-9423'
p4297
S'CCCC(CCCC[N+])=O'
p4298
sS'CPD-9422'
p4299
S'CCCC(CCCC=O)=O'
p4300
sS'CPD-14260'
p4301
S'CCCCCCCCC=CCCCCCCCC(=O)[O-]'
p4302
sS'CPD-14261'
p4303
S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(C)=C)C)CCC=C(C)CCC=C(C)C'
p4304
sS'CPD-14262'
p4305
S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(=C)C)C)CCC=C(C)CCC(C)C(=C)C'
p4306
sS'CPD-14263'
p4307
S'CC(C)=CCCC(=CCCC(C)=CCCC=C(CCC=C(C)CCC(C)C(=C)C)C)C'
p4308
sS'CPD-14264'
p4309
S'C=C(C)C(C)CCC(=CCCC(C)=CCCC=C(CCC=C(C)CCC(C)C(=C)C)C)C'
p4310
sS'DESMOSTEROL-CPD'
p4311
S'CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))'
p4312
sS'CPD-14267'
p4313
S'CCCCCCCCC=CCCCCCCCCCCCCC[CH]=O'
p4314
sS'CPD-14268'
p4315
S'CCCCCCCCC=CCCCCCCCCCCCCCC(=O)[O-]'
p4316
sS'CPD-14269'
p4317
S'CCCCCCCCC=CCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p4318
sS'Z-2-METHYL-5-ISOPROPYLHEXA-25-DIENAL'
p4319
S'CC(C)C(=C)CC=C(C)C=O'
p4320
sS'CPD-9429'
p4321
S'CCCOP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)O)'
p4322
sS'CARBONYL-SULFIDE'
p4323
S'C(=O)=S'
p4324
sS'CPD-5847'
p4325
S'CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(CO)(C)C(CCC(C)12)O))3))4))'
p4326
sS'CPD-5846'
p4327
S'CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))'
p4328
sS'CPD-5845'
p4329
S'CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C([CH]=O)(C)C(CCC(C)12)O))3))4))'
p4330
sS'CPD-18169'
p4331
S'C1(C=C(O)C=CC=1C3(=CC(=O)C4(=C(O)C(=C(OC2(C(C(C(O)C(O2)CO)O)O))C=C(O3)4)C6(OC(CO)C(O)C(O)C(OC5(OC(CO)C(O)C(O)C(O)5))6))))'
p4332
sS'CPD-18168'
p4333
S'CCC1(CC2(O)([CH](C(=O)C=1)C3(C(C(=O)C2)=C(O)C4(=C(C=3)C=CC=C(O)4))))'
p4334
sS'E-11-TETRADECENOYL-COA'
p4335
S'CCC=CCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p4336
sS'CPD-18162'
p4337
S'CC1(C=C(OC)C5(=C(C=1)C(=O)OC4(=C(C=C(OC)C3(C(=CC=C(C2(OC(C(OC(=O)C)C([N+](C)C)C(O)2)C))C=34)O))5)))'
p4338
sS'CPD-18161'
p4339
S'CC1(C=C(OC)C5(=C(C=1)C(=O)OC4(=C(C=C(OC)C3(C(=CC=C(C2(OC(C(O)C([N+](C)C)C(O)2)C))C=34)O))5)))'
p4340
sS'CPD-18160'
p4341
S'C=CC1(=CC(OC)=C5(C(=C1)C(=O)OC4(=C(C=C(OC)C3(=C(C=CC(C2(OC(C(O)C([N+](C)C)C(O)2)C))=C34)O))5)))'
p4342
sS'CPD-18167'
p4343
S'CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(CC([O-])=O)=O'
p4344
sS'CPD-18166'
p4345
S'CCC1(O)(CC2(O)([CH](C(=O)C1)C3(C(C(=O)C2)=C(O)C4(=C(C=3)C=CC=C(O)4))))'
p4346
sS'CPD-18165'
p4347
S'C(CC1(=CC=CC=C1))SC2(OC(CO)C(O)C(O)C(O)2)'
p4348
sS'CPD-18164'
p4349
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(OC(=O)C)C([N+](C)C)C(O)3)))'
p4350
sS'3-HYDROXYPHENYLACETATE'
p4351
S'C(=O)([O-])CC1(C=C(O)C=CC=1)'
p4352
sS'ADENOSYLCOBINAMIDE-P'
p4353
S'CC(OP([O-])(=O)[O-])CNC(=O)CCC5(C)(C(CC(=O)N)C7(C%11(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co--]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67))(CC8(C(C(O)C(O8)N9(C=NC%10(=C9N=CN=C%10N)))O)))%11))))'
p4354
sS'CPD-8773'
p4355
S'CC1(C=CC(C=O)=CC=1)'
p4356
sS'CPD-18787'
p4357
S'C(O)C4(C(O)C(O)C(O)C(OP([O-])(OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3))))=O)C=4)'
p4358
sS'CPD0-1297'
p4359
S'C(O)C1(OC(O)C(F)C(O)C(O)1)'
p4360
sS'CPD0-1296'
p4361
S'CCN=C=NCCC[N+](C)C'
p4362
sS'CPD0-1293'
p4363
S'CC(C)OC1(OC(CO)C(O)C(O)C(O)1)'
p4364
sS'CPD-8771'
p4365
S'CC2(CCC1(C(C)(C)C1C=2))'
p4366
sS'CPD0-1299'
p4367
S'C(O)C1(C(O)C(O)C(O)C([N+])O1)'
p4368
sS'CPD-9356'
p4369
S'C1(Cl)(N=C(N)N=C(N)N=1)'
p4370
sS'TOLUENE'
p4371
S'CC1(C=CC=CC=1)'
p4372
sS'PYRIDOXAL_PHOSPHATE'
p4373
S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p4374
sS'DIHYDROCOUMARIN'
p4375
S'C1(C=C2(C(=CC=1)OC(CC2)=O))'
p4376
sS'GLUTARYL-COA'
p4377
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4378
sS'CPD0-1129'
p4379
S'CC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CCSC)C(=O)NC=O)CCCNC(=[N+])N)C(O)C)CC(=O)N)NC(NC(CC(=O)[O-])C(=O)NP(=O)(OCC3(C(O)C(O)C(N2(C=NC1(=C(N)N=CN=C12)))O3))OCCC[N+])=O'
p4380
sS'CPD-88'
p4381
S'C=C(CC(C([O-])=O)=O)C(=O)[O-]'
p4382
sS'CPD0-1123'
p4383
S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)CO)O)'
p4384
sS'CPD0-1122'
p4385
S'CC(=O)NC1(C(CC(C(=O)[O-])(O)O[CH]1C(O)C(O)CO)O)'
p4386
sS'TESTOLOLACTONE'
p4387
S'CC24(CCC(=O)C=C(CC[CH]1([CH]3(CCC(=O)OC(C)(CC[CH]12)3)))4)'
p4388
sS'CPD-85'
p4389
S'CSCCC(C([O-])=CO)=O'
p4390
sS'CPD-82'
p4391
S'COC1(=C(C=CC(=C1)CCCO)OC2(C(C(C(C(O2)CO)O)O)O))'
p4392
sS'CPD-83'
p4393
S'C(=CC1(=CC(=CC(=C1)O)O))C2(C=CC(=CC=2)O)'
p4394
sS'TEREPHTHALATE'
p4395
S'C(C1(C=CC(=CC=1)C([O-])=O))([O-])=O'
p4396
sS'CPD-81'
p4397
S'COC1(=C(C=CC(=C1)C=CC=O)OC2(C(C(C(C(O2)CO)O)O)O))'
p4398
sS'CPD-15025'
p4399
S'C1(=CC=C(C=C1)C2(=[O+]C3(C=CC=CC(C=C2)=3)))'
p4400
sS'CPD-15024'
p4401
S'CC6(OC(OC5(=CC2(=C(C(=O)C(=C(C1(=CC(O)=C(O)C=C1))O2)OC3(OC(C(C(C3O)O)O)COC4(C(C(C(C(O4)CO)O)O)O)))C(=C5)O)))C(C(C6O)O)O)'
p4402
sS'CPD-15027'
p4403
S'CSCC(=O)C(O)C(O)COP([O-])(=O)[O-]'
p4404
sS'CPD-15021'
p4405
S'CC6(OC(OC5(=CC2(=C(C(=O)C(=C(C1(=CC(O)=C(O)C=C1))O2)OC3(OC(C(C(C3OC4(C(C(C(C(O4)CO)O)O)O))O)O)CO))C(=C5)O)))C(C(C6O)O)O)'
p4406
sS'CPD-15023'
p4407
S'CC6(OC(OC5(C=C2(C(C(=O)C(=C(C1(=CC=C(O)C=C1))O2)OC3(OC(C(C(C3OC4(C(C(C(C(O4)CO)O)O)O))O)O)CO))=C(C=5)O)))C(C(C6O)O)O)'
p4408
sS'OH'
p4409
S'[O-]'
p4410
sS'5-P-BETA-D-RIBOSYL-AMINE'
p4411
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C([N+])O1)'
p4412
sS'ISO-PROPANOL'
p4413
S'CC(O)C'
p4414
sS'CPD-15029'
p4415
S'CC1(CC[CH]2([CH]1C(=O)OC=C(C)2))'
p4416
sS'CPD-15028'
p4417
S'[N+](=O)([O-])O'
p4418
sS'S-ACETYLDIHYDROLIPOAMIDE'
p4419
S'CC(SC(CCS)CCCCC(N)=O)=O'
p4420
sS'CPD0-2182'
p4421
S'C(ONCC(=O)O)C1(CCCN1)'
p4422
sS'D-1-GUANIDINO-3-AMINO-13-DIDEOXY-SCYLLO'
p4423
S'C1([N+])(C(O)C(O)C(O)C(NC(=[N+])N)C(O)1)'
p4424
sS'C55-PP-GLCNAC-MANNACA-FUC4NAC'
p4425
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC3(OC(CO)C(OC2(OC(C(=O)[O-])C(OC1(OC(C)C(NC(C)=O)C(O)C(O)1))C(O)C(NC(C)=O)2))C(O)C(NC(C)=O)3))C)C)C)C)C)C)C'
p4426
sS'CPD-18550'
p4427
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C=NC5(=CC=CC=C(N=4)5)))([O-])=O'
p4428
sS'CPD-18277'
p4429
S'CC1(=CC(=CC(CO)=C1)O)'
p4430
sS'6-METHOXYMELLEIN'
p4431
S'CC1(CC2(=CC(=CC(O)=C(C(=O)O1)2)OC))'
p4432
sS'N-SUCCINYL-2-AMINO-6-KETOPIMELATE'
p4433
S'C(CC(=O)C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p4434
sS'MANNOSE-1P'
p4435
S'C(O)C1(OC(OP(=O)([O-])[O-])C(O)C(O)C(O)1)'
p4436
sS'2OXO1YLIDENE'
p4437
S'C(C(=CC=C2(C(CC1(C(=CC=CC=1)2))=O))O)([O-])=O'
p4438
sS'5-AMINOPENTANAMIDE'
p4439
S'C(=O)(CCCC[N+])N'
p4440
sS'AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE'
p4441
S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)CO'
p4442
sS'CPD-869'
p4443
S'CC(C(C)(C)C=CC(=O)[O-])=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP([O-])(=O)OCC1(OC(C(C(OP([O-])([O-])=O)1)O)N2(C3(N=CN=C(C(N=C2)=3)N))))O'
p4444
sS'CPD-868'
p4445
S'CC4(C(C)(C)C(CC(=O)SCCNC(=O)CCNC(C(O)C(COP(=O)([O-])OP(OCC1(OC(C(O)C1OP([O-])([O-])=O)N2(C3(N=CN=C(C(N=C2)=3)N))))([O-])=O)(C)C)=O)OC(=O)C=4)'
p4446
sS'N-CARBAMOYLDIAMINOPROPANE'
p4447
S'C(CCNC(=O)N)[N+]'
p4448
sS'CPD-864'
p4449
S'CC1(C)([CH]2(C(=O)CC(C)1C(=O)C2))'
p4450
sS'CPD-867'
p4451
S'CC1(C(C(C(C=1)=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-])=O)(C)C)'
p4452
sS'CPD-866'
p4453
S'CC1(C(C(C(C=1)=O)CC(=O)[O-])(C)C)'
p4454
sS'CPD-861'
p4455
S'C(OP(=O)([O-])OP([O-])(=O)OCC1(OC(C(OP([O-])(=O)[O-])C1O)N3(C2(=C(C(=NC=N2)N)N=C3))))C4(C(O)C(O)C(O4)O)'
p4456
sS'CPD-863'
p4457
S'CC1(C)([CH]2(C(O)CC1(C(=O)C2)C))'
p4458
sS'CPD-862'
p4459
S'CC1(C)([CH]2(CCC1(C)C(=O)C2))'
p4460
sS'CPD-3630'
p4461
S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))3)4))'
p4462
sS'CPD-7725'
p4463
S'CC(C=CC1(C2(CC(CC1(C)OC2)=O)(C))O)=CC([O-])=O'
p4464
sS'CPD-7726'
p4465
S'CC(C=CC1(C2(CC(CC1(C)OC2)O)(C))O)=CC([O-])=O'
p4466
sS'CPD-7727'
p4467
S'CC(C=CC1(C(CC(C=C1C)=O)(C)C)O)=CC(=O)OC2(C(O)C(O)C(O)C(CO)O2)'
p4468
sS'CPD-7728'
p4469
S'CC(=CC([O-])=O)C=CC1(O)(C(C)=CC(=O)CC(CO)(C)1)'
p4470
sS'CPD-7729'
p4471
S'CC(=CC([O-])=O)C=CC2(O)(C1(OCC(C)(CC(=O)C1)2)(C))'
p4472
sS'CETRAXATE'
p4473
S'C1(CC(CCC(C[N+])1)C(=O)OC2(=CC=C(C=C2)CCC(=O)[O-]))'
p4474
sS'CPD-16644'
p4475
S'CC1(=C(C(=O)[O-])C(=CC2(=CC3(=C(C(O)=C12)C(C4(=C(O)C=C(C=C(C3=O)4)OC))=O)))O)'
p4476
sS'CPD-9618'
p4477
S'CC2(=C(O)C1(C(=O)C3(C=C(C(OC)=CC(C(=O)C=1C=C2)=3)O)))'
p4478
sS'CPD-16647'
p4479
S'CC(=O)CC(=O)C1(C(CC(=O)CC(=O)CC([O-])=O)=CC2(=CC(=CC(O)=C(C=1O)2)O))'
p4480
sS'CPD-16640'
p4481
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))OC5(C(OC)C(C(C(C)O5)O)O))'
p4482
sS'CPD-16641'
p4483
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))OC5(C(O)C(C(C(C)O5)O)O))'
p4484
sS'STERCULATE'
p4485
S'CCCCCCCCC1(CC=1CCCCCCCC(=O)[O-])'
p4486
sS'CPD-16643'
p4487
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(O)=C12)C(C4(=C(O)C=C(C=C(C3=O)4)OC))=O)))O)'
p4488
sS'CPD-9344'
p4489
S'CC(NC1(=NC(SC)=NC(NC(C)C)=N1))C'
p4490
sS'CPD-9613'
p4491
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C(N)=C(OC)C(=O)1)'
p4492
sS'CPD-9610'
p4493
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-])C'
p4494
sS'CPD-9611'
p4495
S'CCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)C2(=C(C)C(=O)C1(=CC=CC=C1C(=O)2))'
p4496
sS'GUANIDINO-ACETATE-P'
p4497
S'C(NC(=[N+])NP([O-])([O-])=O)C(=O)[O-]'
p4498
sS'CPD-16649'
p4499
S'CC(C)=CCC1(=CC=CC2(=C1NC3(=C(N2)C=CC=C(C(=O)[O-])3)))'
p4500
sS'CPD-9615'
p4501
S'CC2(=C(O)C1(C(=O)C3(C(OC)=C(C(OC)=CC(C(=O)C=1C(=C2)O)=3)[O-])))'
p4502
sS'CPD-12734'
p4503
S'COC2(C(O)=CC1(OC(=CC(=O)C=1C(O)=2)C3(C=CC=CC=3)))'
p4504
sS'CPD-12733'
p4505
S'CC1(OC(C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O2)O))'
p4506
sS'S-ACETYLGLUTATHIONE'
p4507
S'CC(=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC(=O)[O-]'
p4508
sS'CPD-12739'
p4509
S'C([O-])(=O)C(O)C([N+])C([O-])=O'
p4510
sS'ISOWILLARDIINE'
p4511
S'C1(=CC(N(C(N1)=O)CC(C(=O)[O-])[N+])=O)'
p4512
sS'N-HYDROXY-4-ACETYLAMINONBIPHENYL'
p4513
S'CC(N(C2(C=CC(C1(C=CC=CC=1))=CC=2))O)=O'
p4514
sS'FORMONONETIN'
p4515
S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p4516
sS'PHOSPHATIDYLETHANOLAMINE-KDO2'
p4517
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)OP([O-])(=O)OCC[N+])C(O)C(O)C3))C4))OP([O-])([O-])=O))'
p4518
sS'CPD-7677'
p4519
S'C(CSC)O'
p4520
sS'2INDANONE'
p4521
S'C1(C=C2(CC(CC(=CC=1)2)=O))'
p4522
sS'3-METHYLBENZYLSUCCINYL-COA'
p4523
S'CC4(=CC=CC(CC(CC(=O)[O-])C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)=C4)'
p4524
sS'SN-GERANYLGERANYLGLYCERYL-1-PHOSPHATE'
p4525
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP([O-])([O-])=O)O'
p4526
sS'CPD-241'
p4527
S'C([O-])(=O)C1(=C(C=CC=C1)C=CC(C([O-])=O)=O)'
p4528
sS'CPD-240'
p4529
S'C([O-])(=O)C=CC=C(C([O-])=O)C([O-])=O'
p4530
sS'CPD-243'
p4531
S'C2(C=C1(C(NC(O)=C(O)1)=CC=2))'
p4532
sS'CPD-242'
p4533
S'C(C(C1(C=CC(=CC=1)O))=O)O'
p4534
sS'CPD-245'
p4535
S'C(C=CC(C(=O)[O-])=CC(=O)[O-])([O-])=O'
p4536
sS'CPDQT-331'
p4537
S'C1(SC(=S)NC(C([O-])=O)1)'
p4538
sS'CPD-247'
p4539
S'C([CH]=O)=CC(C(=O)[O-])=C(O)C(=O)[O-]'
p4540
sS'CPD-246'
p4541
S'C(=CC(=O)[O-])CC(=O)C(=O)[O-]'
p4542
sS'CPD-248'
p4543
S'C(C1(C(=CC=CC=1)NC=O))=O'
p4544
sS'D-PHENYLGLYCINE'
p4545
S'C(C(C1(C=CC=CC=1))[N+])([O-])=O'
p4546
sS'GAMMA-HCH'
p4547
S'C1(Cl)(C(C(C(Cl)C(C(Cl)1)Cl)Cl)Cl)'
p4548
sS'4-PHOSPHONOOXY-THREONINE'
p4549
S'C(=O)([O-])C([N+])C(O)COP([O-])(=O)[O-]'
p4550
sS'CPD-15684'
p4551
S'CCCCCCC=CC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4552
sS'CPD-17517'
p4553
S'CC(=O)CC(=O)C1(C(CC([O-])=O)=CC2(=C(C(O)=1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))'
p4554
sS'CPD-17516'
p4555
S'CC(=O)CC(=O)C1(C(CC([O-])=O)=CC2(=C(C(O)=1)C(=O)C3(=C(C2)C=CC=C(O)3)))'
p4556
sS'CPD-17515'
p4557
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(C=C(O)C=C(O)C=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p4558
sS'CPD-17511'
p4559
S'C(=O)([O-])C(=O)C=C1(C=CC(O)CC1)'
p4560
sS'CPD-17510'
p4561
S'C(=O)([O-])C(=O)CC1(C=CC(O)CC=1)'
p4562
sS'CPD-8563'
p4563
S'C(OP(=O)(O)O)C(C(=O)N[R])NC(=O)[R]'
p4564
sS'BUTYRIC_ACID'
p4565
S'CCCC(=O)[O-]'
p4566
sS'CPD-17519'
p4567
S'CC4(=C(OC)C(=O)C3(=C(N2(C[CH]1(N[CH]1C(OC)2C(COC(=O)N)3)))C(=O)4))'
p4568
sS'CPD-8564'
p4569
S'C(O)C(C(=O)N[R])NC(=O)[R]'
p4570
sS'CPD-13467'
p4571
S'C1(OP([O-])(=O)OC2(C1OC3(C(C(O)(O)2)NC4(=C(N3)N=C(N)NC(=O)4))))'
p4572
sS'CPD-13466'
p4573
S'C=CC(C)(CCC=C(C)CCC(C)C(=C)C)C=CC(C)CCC1(C(C)(C)C(C)CCC(=C)1)'
p4574
sS'CPD-13465'
p4575
S'COC5(C(OC)=CC4(C(C2(C=C1(C(OCO1)=CC=2)))=C3(C(COC(=O)3)CC=4C=5)))'
p4576
sS'CPD-13464'
p4577
S'COC5(C(OC)=CC4(C(C2(C=C1(C(OCO1)=CC=2)))C3(C(COC(=O)3)CC=4C=5)))'
p4578
sS'CPD-9864'
p4579
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C)C'
p4580
sS'ALLYLTHIOUREA'
p4581
S'C=CCNC(N)=S'
p4582
sS'BILIRUBIN-BISGLUCURONOSIDE'
p4583
S'C=CC1(=C(C(NC1=CC2(=C(C(=C(N2)CC3(NC(=C(C=3CCC(=O)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C)C=C5(NC(C(=C5C)C=C)=O)))CCC(=O)OC6(C(C(C(C(O6)C([O-])=O)O)O)O))C))=O)C)'
p4584
sS'MEK'
p4585
S'CCC(C)=O'
p4586
sS'CPD-13468'
p4587
S'CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p4588
sS'CPD-11647'
p4589
S'C([N+])CCC[N+]CCC[N+]CCC[N+]'
p4590
sS'4H9FLUORENONE'
p4591
S'C3(C=C2(C(C(C1(C(=C(C=CC=1)O)2))=O)=CC=3))'
p4592
sS'CPD-11641'
p4593
S'CC3(C2(C=CC(OC1(OC(CO)C(O)C(O)C(O)1))=CC=2OC(=O)C=3))'
p4594
sS'CPD-11640'
p4595
S'CC(C)(C)NC(=O)C1(C[N+]CCN1)'
p4596
sS'CPD-11643'
p4597
S'CC1(=CN(C(=O)NC(=O)1)C4(OC(COP(OC3(CC(N2(C=C(C)C(=O)NC(=O)2))OC(CO[R1])3))([O-])=O)C(O[R2])C4))'
p4598
sS'CPD-11642'
p4599
S'C([R1])C1(C2(OP(=O)(O)OCC5(C(OP(=O)(O)O[R2])CC(N4(C(=O)NC(=O)C(CC3(C)(C(=O)NC(=O)N(C(O1)C2)C3))=C4))O5)))'
p4600
sS'CPD-9861'
p4601
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(O)=C(O)1)'
p4602
sS'3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN'
p4603
S'CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C'
p4604
sS'CPD-14770'
p4605
S'CCCC=CCC=CC=CC=NNN=O'
p4606
sS'CPD-17779'
p4607
S'C1(=C(C(=C(C9(=C1C(=O)OC4(C(C(O)OC3(COC(C2(C=C(C(=C(C=2OC6(C(=CC7(C(=O)OC5(=C(C(=CC(C(=O)OC34)=C5C(C=6O)=7)O)O)))O))O)O)O))=O))OC(C8(=CC(=C(C(=C89)O)O)O))=O)))O)O)O)'
p4608
sS'CPD-17778'
p4609
S'C(OC(=O)C2(C=C(O)C(O)=C(OC(=O)C1(C=C(O)C(O)=C(O)C=1))C=2))C%11(C(OC(=O)C4(C=C(O)C(O)=C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C=4))C(OC(=O)C6(C=C(O)C(O)=C(OC(=O)C5(C=C(O)C(O)=C(O)C=5))C=6))C(OC(=O)C8(C=C(O)C(O)=C(OC(=O)C7(C=C(O)C(O)=C(O)C=7))C=8))C(OC(=O)C%10(C=C(O)C(O)=C(OC(=O)C9(C=C(O)C(O)=C(O)C=9))C=%10))O%11)'
p4610
sS'CPD-9863'
p4611
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C)C'
p4612
sS'CPD-17772'
p4613
S'C6(OC(=O)C7(=CC(=C(O)C(O)=C(C1(C(=C(O)C(O)=CC=1C(=O)OC3(C(OC(O)C4(OC(=O)C5(=CC(=C(O)C(O)=C(C2(C(=C(O)C(O)=CC=2C(=O)OC34)O))5)O)))6))O))7)O))'
p4614
sS'CPD-17771'
p4615
S'C7(OCC%11(OC(OC(=O)C1(C=C(O)C(O)=C(O)C=1))C%10(OC(C6(C5([CH]4(C3(CC2(O)(OCC(O)[CH]2O[CH]3C(O)(C(C(O)4OC=5C(O)=C(O)C=6)(O)O)O))(C(OC(C(OC(=O)C9(C=C(O)C(O)=C(O)C(C8(C(O)=C(O)C(O)=CC7=8))=9))%10)%11)=O)))))=O)))(=O)'
p4616
sS'CPD-4542'
p4617
S'CC(CCC[N+](C)C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p4618
sS'CPD-17777'
p4619
S'C1(C(=C(C(=CC=1C(=O)OC5(C7(C(C3(C(COC(C2(=CC(=C(C(=C2C4(C(=C(C(=CC(C(=O)O3)=4)O)O)O))O)O)O))=O)O5))OC(C6(C=C(C(=C(C=6C8(=C(C(=C(C=C(C(=O)O7)8)O)O)O))O)O)O))=O)))O)O)O)'
p4620
sS'CPD-17776'
p4621
S'C8(=O)(OCC6(OC(=O)C1(=CC(O)=C(O)C(O)=C1C4(=C(O)C(O)=C(O)C5(C2(C(=C(O)C(O)=C3(C=2C(=O)O[CH](C(O)3)C(OC(=O)C4=5)C6OC(=O)C9(C=C(O)C(O)=C(O)C(C7(=C(C=C(O)C(O)=C(O)7)8))=9)))O))))))'
p4622
sS'CPD-18559'
p4623
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)C4(C(O)=CC5(C=CC=CC(N=4)=5)))([O-])=O'
p4624
sS'STERONE-RING'
p4625
S'C3(CCC2(C4(CCC1(CCCC1C(CCC2C3)4))))'
p4626
sS'INDOLE-3-ACETYL-LEU'
p4627
S'CC(C)CC(C(=O)[O-])NC(=O)CC2(C1(=CC=CC=C1NC=2))'
p4628
sS'AQUACOBIIIALAMIN'
p4629
S'CC4(=C(C)C=C3(N2(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(=O)N)[CH]%11(C8(C)(C(C)(CC(N)=O)C(CCC(=O)N)C7(C(C)=C%10(C(CC(=O)N)(C)C(CCC(=O)N)C9(C=C6(C(C)(C)C(CCC(=O)N)C5(C(C)=C1N([Co---]([N+](=C2)C3=C4)([OH2+])([N+]=56)([N+]=78)[N+]=9%10)%11)))))))))C(O)%12))))'
p4630
sS'CPD0-2362'
p4631
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC12(OC1C=CC=C2))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p4632
sS'4-IMIDAZOLONE-5-PROPIONATE'
p4633
S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p4634
sS'OXIDIZED-OPLOPHORUS-LUCIFERIN'
p4635
S'C3(NC(=O)CC1(C=CC(O)=CC=1))(=C(CC2(=CC=CC=C2))N=C(C=N3)C4(C=CC(O)=CC=4))'
p4636
sS'PHORBOL-13-BUTANOATE'
p4637
S'CCCC(=O)OC13(C(C)(C)[CH]1[CH]4(C=C(CO)CC2(O)(C(C(C)=C[CH]2C(O)(C(C(O)3)C)4)=O)))'
p4638
sS'CPD-16018'
p4639
S'C=C(Br)C(=O)[O-]'
p4640
sS'CPD-18212'
p4641
S'CC2(C1(C(=O)C3(C(OC=1C=C(OC)C=2)=C(O)C4(C(=O)C([O-])=CC(=O)C(C(O)=3)=4))))'
p4642
sS'COBALT-SIROHYDROCHLORIN'
p4643
S'CC1(CC(=O)[O-])(C2(=CC5(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C6(=CC4(=C(CC(=O)[O-])C(CCC(=O)[O-])=C3(C=C8(C(CCC(=O)[O-])=C(CC(=O)[O-])C7(C=C(C(CCC(=O)[O-])1)N2[Co--](N34)([N+]=56)[N+]=78))))))))'
p4644
sS'5-VALEROLACTONE'
p4645
S'C1(CCOC(C1)=O)'
p4646
sS'CPD-17347'
p4647
S'CCCCCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4648
sS'CPD-11919'
p4649
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OCC[N+])([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p4650
sS'CPD-11918'
p4651
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p4652
sS'CPD-18428'
p4653
S'CC2(CCC1(C)(C4(CCC(OC1C=2)C3(OC3)4)(C)))'
p4654
sS'CPD-18429'
p4655
S'CC2(CCC1(C)(C4(C(O)CC(OC1C=2)C3(OC3)4)(C)))'
p4656
sS'CPD-18426'
p4657
S'CC2(C(=O)C(O)C1(CO)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p4658
sS'CPD-18427'
p4659
S'CC2(C(=O)C(O)C1(CO)(C4(C(O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p4660
sS'CPD-11917'
p4661
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OC1(C(O)C(OP([O-])(=O)[O-])C(O)C(O)C(O)1))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p4662
sS'CPD-18425'
p4663
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p4664
sS'CPD-18422'
p4665
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p4666
sS'CPD-11910'
p4667
S'CC1(O)(OC(CC([N+])C(O)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NCC=3C5(C4(C=CC=CC=4NC=5C=67)))))))'
p4668
sS'CPD-18420'
p4669
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p4670
sS'CPD-18421'
p4671
S'CC2(C(=O)C(O)C1(CO)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p4672
sS'CPD0-1354'
p4673
S'CC2(C(CCOP(=O)([O-])OP(=O)([O-])[O-])SCN(CC1(=CN=C(C)N=C1N))2)'
p4674
sS'CPD0-1356'
p4675
S'CC(=CCCC(=CCCC(=CCSP(OP([O-])(=O)[O-])(=O)[O-])C)C)C'
p4676
sS'CPD0-1357'
p4677
S'CCC(C(C(=O)[N-]S(=O)(=O)OP(OCC3(C(O)C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))([O-])=O)I)C'
p4678
sS'CPD0-1351'
p4679
S'CC(O)C([N+])C(N)=O'
p4680
sS'CPD0-1352'
p4681
S'CC2(N(CC1(=C(N)N=C(N=C1)C))C(=S)SC=2CCOP([O-])(=O)OP([O-])([O-])=O)'
p4682
sS'CPD-15619'
p4683
S'CC(C(O)C(O)C([CH]=O)O)O'
p4684
sS'CPD-15616'
p4685
S'C(O)C(=O)C(O)C(O)C(O)CO'
p4686
sS'CPD-15617'
p4687
S'CC(O)C(O)C(OC)CC=O'
p4688
sS'CPD-12934'
p4689
S'CCC(C)C1(C(=O)OC3(N1C4(=C(C2(=C(O)C=C(C)C=C23))C(=O)C6(=C(C(=O)4)C(OC5(CC(O)C(O)C(C)O5))=CC=C6))))'
p4690
sS'CPD-12935'
p4691
S'CC(C=CC=C(C)C=CC=C(C)C=O)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCCC(C)=1)'
p4692
sS'CPD0-1358'
p4693
S'CCCCCC(CC(NO)=O)C(NC(C(C)C)C(N1(CCCC(CO)1))=O)=O'
p4694
sS'CPD-15613'
p4695
S'CC1(C(NC(=O)C)C(O)C(O)C(O)O1)'
p4696
sS'CPD-15610'
p4697
S'C=C(C)[N+]C1(C(O)C(O)OC(C)C(O)1)'
p4698
sS'AMMONIUM'
p4699
S'[NH4+]'
p4700
sS'CPD-16381'
p4701
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p4702
sS'CPD-10208'
p4703
S'CCCC=C1(C(=O)C([O-])=C(C)O1)'
p4704
sS'CPD-10209'
p4705
S'CCCCC1(C(=O)C([O-])=C(C)O1)'
p4706
sS'CPD-10201'
p4707
S'CCC1(C(=O)C([O-])=C(C)O1)'
p4708
sS'CPD-10206'
p4709
S'CC=C1(C(=O)C([O-])=C(C)O1)'
p4710
sS'CPD-10207'
p4711
S'CCC=C1(C(=O)C([O-])=C(C)O1)'
p4712
sS'CPD-10204'
p4713
S'CC1(=C([O-])C(=O)CO1)'
p4714
sS'CPD-10205'
p4715
S'C=C1(C(=O)C([O-])=C(C)O1)'
p4716
sS'CPD-2961'
p4717
S'C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O'
p4718
sS'PYRIDOXAMINE'
p4719
S'CC1(=NC=C(CO)C(C[N+])=C(O)1)'
p4720
sS'CPD-18394'
p4721
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p4722
sS'CPD-18396'
p4723
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p4724
sS'CPD-18397'
p4725
S'CCCCCCC=CCCCCCCCC(=O)OC(COC(CCCCCCCCCCCCC)=O)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-]'
p4726
sS'CPD-18390'
p4727
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(CCCCCCCCCCCCC)=O'
p4728
sS'CPD-18391'
p4729
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCCCCCCC'
p4730
sS'CPD-18392'
p4731
S'CCCCCCC=CCCCCCCCC(=O)OC(COC(CCCCCCCCCCCCC)=O)COP([O-])(=O)OCC(O)CO'
p4732
sS'CPD-18393'
p4733
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(CCCCCCCCCCCCC)=O'
p4734
sS'CPD-18398'
p4735
S'CCCCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-]'
p4736
sS'CPD-18399'
p4737
S'CCCCCCC=CCCCCCCCCCC(=O)OCC(OC(CCCCCCCC=CCCCCCC)=O)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-]'
p4738
sS'CPD-15920'
p4739
S'C1(=NC(N)=NC2(NC=NC1=2))'
p4740
sS'CPD0-1431'
p4741
S'C([N+]=C(N)N)C1(C=CC=CC=1)'
p4742
sS'CPD-15922'
p4743
S'C1(NC2(C(NO)=NC=NC(N=1)=2))'
p4744
sS'CPD-15923'
p4745
S'C(O[CH]=O)C(=O)COP([O-])([O-])=O'
p4746
sS'CPD-9846'
p4747
S'C=CC1(C2(CC([N+](C1)CC2)C(C3(C4(=C(N=CC=3)C=CC(=C4)OC)))O))'
p4748
sS'CPD-15926'
p4749
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(O)C(O)3)))'
p4750
sS'CPD-15927'
p4751
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(OC)C(OC)3)))'
p4752
sS'CPD-15928'
p4753
S'C=CC(=C)CC(=O)CC(C)C'
p4754
sS'CPD0-1921'
p4755
S'CCC[N+]1(=C(N)C=CNC(=O)1)'
p4756
sS'ALLOCRYPTOPINE'
p4757
S'CN3(CCC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p4758
sS'ACETYLCHOLINE'
p4759
S'CC(=O)OCC[N+](C)(C)C'
p4760
sS'2-CHLOROETHANOL'
p4761
S'C(Cl)CO'
p4762
sS'CPD-7119'
p4763
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)OC)[O-]))C'
p4764
sS'CPD-7117'
p4765
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))'
p4766
sS'CPD0-1927'
p4767
S'C1(N=C3(N(C=1)C=NC2(=C(N=CN2)3)))'
p4768
sS'CPD-7115'
p4769
S'CC(=CCC1(C(C(C(C(C)C)=O)=CC1(O)C(CC=C(C)C)=O)=O))C'
p4770
sS'CPD-7111'
p4771
S'CC(=CCC1(C(=C(C(C(C=1O)(CC=C(C)C)CC=C(C)C)=O)C(C(C)C)=O)[O-]))C'
p4772
sS'CPD-9284'
p4773
S'CCCCCCCCC'
p4774
sS'CPD-14699'
p4775
S'CC(CCC1(C=CC=CC=1))[N+]'
p4776
sS'CPD-14698'
p4777
S'CC([N+])C1(C=CC=CC=1)'
p4778
sS'CPD0-1925'
p4779
S'C(O)C[N+]2(C=NC1(NC=NC=1C=2N))'
p4780
sS'CPD-14691'
p4781
S'CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)OC(C)=O)OC(C)=O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)'
p4782
sS'CPD-14690'
p4783
S'CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)OC(CC)=O)OC(C)=O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)'
p4784
sS'CPD-14693'
p4785
S'CC(C)CC(C(NC%10(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)OC8(OC(C)C(O)C([N+])(C)C8)))OC9(=C(Cl)C=C(C=C9)C%10O))))OC%11(OC(C)C(O)C([N+])(C)C%11))=O))=O))=O)=O))=O)[N+]C'
p4786
sS'CPD0-1924'
p4787
S'C1(=CC(N)=[N+](C(N1)=O)CCCO)'
p4788
sS'L-HYOSCYAMINE'
p4789
S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(CO)C3(=CC=CC=C3)))'
p4790
sS'CPD-14697'
p4791
S'CC(C)CNO'
p4792
sS'TABERSONINE'
p4793
S'CCC25(C=CC[N+]4(CCC1(C3(C=CC=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p4794
sS'CPD-15358'
p4795
S'C(O)C(NC(=O)C1(C(=C(C=CC=1)O)O))C(=O)OCC(C([O-])=O)NC(C2(C(O)=C(C=CC=2)O))=O'
p4796
sS'CPD-9288'
p4797
S'CCCCCC'
p4798
sS'CPD-15653'
p4799
S'CCCCCCC=CCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4800
sS'CPD0-1929'
p4801
S'CCN1(C(=O)N=CC=C(N)1)'
p4802
sS'CPD-9844'
p4803
S'CCCCCCC=CC=CCCCCCCCCCC([O-])=O'
p4804
sS'CPD-12690'
p4805
S'CCCCCCC2(C(NC3(C(O)[CH]1(C=CCCC1))(C(=O)OC23C))=O)'
p4806
sS'CPD-3731'
p4807
S'C(P(=O)([O-])O)P(=O)([O-])O'
p4808
sS'CPD-15421'
p4809
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC5(=C(C([O-])=2)C=CC(OC4(OC(C)(C)C(OC)C(OC(C3(NC(C)=CC=3))=O)C(O)4))=C(Cl)5)))=O)'
p4810
sS'CPD1G-105'
p4811
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)C(O)CCCCCCCCCCCCCCCCCC2(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C2)'
p4812
sS'CPD-15420'
p4813
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC4(=C(C([O-])=2)C=CC(OC3(OC(C)(C)C(O)C(O)C(O)3))=C(C)4)))=O)'
p4814
sS'CPD-15898'
p4815
S'C2(C=C1(C=CC(=CC1=CC=2)C([O-])=O))'
p4816
sS'CO+3'
p4817
S'[Co+++]'
p4818
sS'CO+2'
p4819
S'[Co++]'
p4820
sS'L-ERYTHRO-ASCORBATE'
p4821
S'C1(C(CO)OC(=O)C=1)'
p4822
sS'CPD-15899'
p4823
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=CC=C1(C(C=CC=C1)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p4824
sS'CPD-15422'
p4825
S'C2(C(O)=CC1(OC(=O)C(N)=C(O)C=1C=2))'
p4826
sS'3-Methyl-Adenines'
p4827
S'CN1(C2(=NC=NC(=C(N)N=C1)2))'
p4828
sS'CPD-15728'
p4829
S'CC(C(=O)[O-])OC1(=CC=C(Cl)C=C(Cl)1)'
p4830
sS'CPD-14529'
p4831
S'CC(OCCC1(C=CC=CC=1))=O'
p4832
sS'CPD-14528'
p4833
S'C(O)C1(C(C(C(O)C(O1)OCCC2(C=CC=CC=2))O)O)'
p4834
sS'CPD-14527'
p4835
S'CCCCCCCCSC1(OC(CO)C(O)C(O)C(O)1)'
p4836
sS'CPD-15729'
p4837
S'CCC(=O)CC(=O)C1(=C(CC(OC)=O)C=C2(C(=C(O)1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))'
p4838
sS'CPD-14523'
p4839
S'CC(CCC1(OC(O)C(O)C(O)1))C2(CCC3(C)(C2CCC4(C)(C3CCC5(C(C)4CCC6(C(C)5CCCC(C)(C)6)))))'
p4840
sS'CPD-14522'
p4841
S'CC(CCC3(OC(N2(C=NC1(C(=NC=NC(N)=1)2)))C(O)C(O)3))C4(CCC5(C)([CH]4CCC6(C)([CH]5CC[CH]7(C(C)6CC[CH]8(C(C)7CCCC(C)(C)8)))))'
p4842
sS'CPD-14521'
p4843
S'CC(CCC(O)C(O)C(O)C[N+])C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))'
p4844
sS'CPD-14520'
p4845
S'CC5(CC(C)(C)C4(CCC3(C)(C(CCC2(C(C)(CCC1(C(C)(CCC(C(C)CCC(O)C(O)C(O)CO)1)2))3))C(C)4C5)))'
p4846
sS'CIS-4-HYDROXY-D-PROLINE'
p4847
S'C1([N+]C(C([O-])=O)CC(O)1)'
p4848
sS'CPD-15427'
p4849
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)OC2(OC(CO)C(O)C(O)C(O)2))O)NC(C)=O))C)C)C)C)C)C)C'
p4850
sS'CPD-15724'
p4851
S'CC1(=CC(Cl)=CC=C(OC(C(=O)[O-])C)1)'
p4852
sS'DIGLUCODIACETYL-DOCOSANOATE'
p4853
S'CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1OC2(OC(C(C(C2O)O)O)COC(C)=O))O)O)COC(=O)C)'
p4854
sS'CPD-15891'
p4855
S'CC(C(Cl)CCl)CC(C)C(=O)C1(C(=O)NC(OC)=C(OC)C(O)=1)'
p4856
sS'91018-TRIHYDROXYSTEARATE'
p4857
S'C(O)CCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]'
p4858
sS'CPD-15720'
p4859
S'CCC1(O)(CC(O)C2(=C(C(C(OC)=O)1)C=C3(C(=C(O)2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p4860
sS'2-KETO-GLUTARAMATE'
p4861
S'C(CC(N)=O)C(=O)C(=O)[O-]'
p4862
sS'CPD-10830'
p4863
S'CC1(=C(CCN)N=CN1)'
p4864
sS'CPD-15721'
p4865
S'CCC1(O)(CC(=O)C2(=C(C(C(OC)=O)1)C=C3(C(=C(O)2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p4866
sS'CPD-6641'
p4867
S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p4868
sS'CPD-6642'
p4869
S'CC(C)=CCC3(=C([O-])C=C2(C(C(=O)C(C1(C(O)=CC(O)=CC=1))=CO2)=C(O)3))'
p4870
sS'CPD-6643'
p4871
S'CC(C)=CCC3(=C(C(C1(=COC2(C(C(=O)1)=C(O)C=C([O-])C=2)))=CC=C(O)3)O)'
p4872
sS'CPD-6644'
p4873
S'CC(C)=CCC3(=C(C1(=C(OC=C(C1=O)C2(=CC=C(O)C=C2))C=C([O-])3))O)'
p4874
sS'CPD-6645'
p4875
S'CC(C)=CCC3(C(=CC(=C1(C(OC=C(C1=O)C2(C(O)=CC(O)=CC=2))=3))O)[O-])'
p4876
sS'CPD-6646'
p4877
S'C3(=CC(C2(COC1(=CC(=CC(=C1C2=O)O)[O-])))=C(C=C3O)O)'
p4878
sS'CPD-18597'
p4879
S'CC2(CCC15(CCC(=O)C(O)C(CCOC(C(O)C)C=CC=CC(=O)OC4(CC(OC1C=2)C3(OC3)C4(C)5))C))'
p4880
sS'CPD-19115'
p4881
S'CCCCCCCC(=O)CC(C1(C(=CC=CC=1)N))=O'
p4882
sS'CPD-19114'
p4883
S'C([O-])(=O)CC(C1(C(=CC=CC=1)N))=O'
p4884
sS'CPD-19117'
p4885
S'C2(C1(NC(=O)N=C1NC(=O)N2))(=O)'
p4886
sS'CPD-19116'
p4887
S'CC(C1(C(=CC=CC=1)N))=O'
p4888
sS'CPD-19111'
p4889
S'C(O)C(O)COC1(OC(CS([O-])(=O)=O)C(O)C(O)C(O)1)'
p4890
sS'N-FERULOYLGLYCINE'
p4891
S'C(NC(=O)C=CC1(=CC=C(O)C(=C1)OC))C(=O)[O-]'
p4892
sS'CPD-19113'
p4893
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C1(C(=CC=CC=1)N))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p4894
sS'CPD-9425'
p4895
S'CCCC1([N+]CCCC1)'
p4896
sS'CPD-9424'
p4897
S'CCCC1(=[N+]CCCC1)'
p4898
sS'CPD-9426'
p4899
S'CCCC1([N+](CCCC1)C)'
p4900
sS'CPD-9421'
p4901
S'CC(C(=O)[O-])=C(C(=O)[O-])CC(=O)[O-]'
p4902
sS'4-HYDROXY-2-BUTYNAL'
p4903
S'C(C#CCO)=O'
p4904
sS'CPD-8828'
p4905
S'C(=O)([O-])CCC(=O)CCl'
p4906
sS'CPD-8829'
p4907
S'C5(N=C(NC4(=C(C=C(NC1(C2(C(C3(=CC=CC=C(C(C(C(=C(C=1)S([O-])(=O)=O)N)=2)=O)3))=O)))C=C4)S([O-])(=O)=O))N=C(N=5)NC6(C(=CC=CC=6)S(=O)(=O)[O-]))Cl'
p4908
sS'CPD-8827'
p4909
S'C(C(Cl)C(CCC([O-])=O)=O)([O-])=O'
p4910
sS'CPD-8824'
p4911
S'CC1(C=CC(C(O)C=1)O)'
p4912
sS'CPD-8825'
p4913
S'C1(C=CC(C(C=1)O)O)'
p4914
sS'CPD-8822'
p4915
S'C1(C=CC(=CC=1)C2(C=CCC(O)C(O)2))'
p4916
sS'CPD-8823'
p4917
S'CCC1(C=CC(O)C(O)C=1)'
p4918
sS'CPD-8820'
p4919
S'C2(=CC3(C=C1(C=CC(O)C(O)C1=CC(C=C2)=3)))'
p4920
sS'CPD-8821'
p4921
S'C2(C=CC3(=C1(C=CC(O)C(O)C1=CC=C(C=2)3)))'
p4922
sS'CPD-8776'
p4923
S'CC1(=CCC23(CC1C(C)(C)C2CCC(C)3))'
p4924
sS'CPD-8777'
p4925
S'C=C1(CCC23(CC1C(C)(C)C2CCC(C)3))'
p4926
sS'CPD-8774'
p4927
S'CC1(C=CC=C(C=O)C=1)'
p4928
sS'CPD-8775'
p4929
S'CC1(=CC(=CC=C1)C(=O)[O-])'
p4930
sS'CPD-14631'
p4931
S'CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(O)C(O)C(O)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))'
p4932
sS'GLUCOSYL-LIMONIN'
p4933
S'CC5(C)(OC1(CC(=O)OCC61(C7(CCC(C)(C(OC2(OC(CO)C(O)C(O)C(O)2))C3(=COC=C3))C4(OC(C(=O)[O-])4)C(C)(C(=O)CC56)7))))'
p4934
sS'CPD-14630'
p4935
S'CCC3(OC(=O)C=C[CH]2(C=C[CH]4(CC(OC1(C(O)C(O)C(O)C(C)O1))C[CH]([CH]2C=CC(=O)C(C)C(CCC3)O)4)))'
p4936
sS'CPD-8779'
p4937
S'COC1(=CC(=CC=C1)C=O)'
p4938
sS'CPD-10552'
p4939
S'CC(C)CCCC(C)[CH]4(CC[CH]2(C(C)(C(C[CH]1(C3(C)(CCC(CC(C(=O)[O-])(CC([CH]12)O)3)O)))O)4))'
p4940
sS'CPD-14716'
p4941
S'CCCCCCCCCCCCCCC(O)C([O-])=O'
p4942
sS'5-TERT-BUTYLAMINOL-2-HYDROXYPRO-34-DIHYD'
p4943
S'CC(C)(COCCCO)NC1(=CC=CC2(C(=O)CCCC1=2))'
p4944
sS'PARA-MENTHANE-38-DIOL'
p4945
S'CC1(CC(C(C(C)(C)O)CC1)O)'
p4946
sS'CPD-476'
p4947
S'C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p4948
sS'CPD-477'
p4949
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CC(O)CC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p4950
sS'CPD-475'
p4951
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CC(O)CC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p4952
sS'CPD-472'
p4953
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C([N+])C(O)C(O)2))O3))'
p4954
sS'CPD-473'
p4955
S'[CH](=O)C(CCC([O-])=O)=O'
p4956
sS'CPD-470'
p4957
S'C(CC(C([O-])=O)[N+])[N+]'
p4958
sS'CPD-471'
p4959
S'CC(C[N+])C([O-])=O'
p4960
sS'CPD-18599'
p4961
S'CC2(CC(O)C1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p4962
sS'CPD-479'
p4963
S'CSCCC(C([O-])=O)=O'
p4964
sS'2-OXOBUTANOATE'
p4965
S'CCC(=O)C(=O)[O-]'
p4966
sS'BA+2'
p4967
S'[Ba++]'
p4968
sS'CPD-17851'
p4969
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C'
p4970
sS'CPD-16589'
p4971
S'C(S)CCC([O-])=O'
p4972
sS'CPD-16588'
p4973
S'C(CCC([O-])=O)SSCCCC([O-])=O'
p4974
sS'CPD-16582'
p4975
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCS(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p4976
sS'CPD-16581'
p4977
S'CC([CH]3(CC[CH]4([CH]2(C(O)C[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]'
p4978
sS'CPD-16587'
p4979
S'C(CC([O-])=O)SCCC([O-])=O'
p4980
sS'CPD-16586'
p4981
S'C(CC([O-])=O)SSCCC([O-])=O'
p4982
sS'CPD-16585'
p4983
S'CC([CH]3(CC[CH]4([CH]2(C(O)C(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p4984
sS'CPD-16584'
p4985
S'C(=O)(CCS(=O)[O-])[O-]'
p4986
sS'CPD0-1923'
p4987
S'C1(=CC(N)=[N+](C(N1)=O)CCO)'
p4988
sS'CPD0-1922'
p4989
S'CCC[N+]2(C=NC1(NC=NC=1C=2N))'
p4990
sS'CPD0-1433'
p4991
S'C1(=CN=C(S1)N(S(=O)(=O)[N-]C(=O)N)C2(=CC=CC=C2))'
p4992
sS'CPD0-1920'
p4993
S'[As]1(O)(O[Sb](O)O[As](O)O1)'
p4994
sS'CPD-9285'
p4995
S'CCCCC'
p4996
sS'CPD0-1926'
p4997
S'C(O)CC[N+]2(C=NC1(NC=NC=1C=2N))'
p4998
sS'CPD0-1437'
p4999
S'O=[U++]=O'
p5000
sS'CPD0-1436'
p5001
S'CC(C)=CCC1(C(C)(O1)C3(C2(OC2)CCC(OC(=O)C=CC=CC=CC=CC([O-])=O)C(OC)3))'
p5002
sS'CPD-9289'
p5003
S'CCCCCCCCCCC'
p5004
sS'CPD0-1438'
p5005
S'N(P(NP(=O)(O)O)(O)=O)P(O)(=O)O'
p5006
sS'CPD-12309'
p5007
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C([O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C([O-])=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C'
p5008
sS'CPD0-1928'
p5009
S'C1(N=C3(N(C1)C=NC2(=C(N=CN2)3)))'
p5010
sS'CPD-5743'
p5011
S'C1(C=C(SC=1)C(=O)C=C([O-])C(F)(F)F)'
p5012
sS'CPD-12696'
p5013
S'C(C1(C=C([N+](=O)[O-])C=CC=1O))([O-])=O'
p5014
sS'CPD-12695'
p5015
S'C(=O)([O-])C1(=CC([N+](=O)[O-])=CC=C(N)1)'
p5016
sS'CPD-12694'
p5017
S'C(S(=O)(=O)[O-])C(=O)CO'
p5018
sS'CPD-10839'
p5019
S'CC1(C(O)C(O)C(Cl)=C(Cl)C=1)'
p5020
sS'CPD-10838'
p5021
S'CC1(C=CC(Cl)=C(Cl)C=1)'
p5022
sS'CPD-651'
p5023
S'CC(=O)C25(NC(=CC4(=NC(CC3(NC(CC1(=NC(=C(CC(=O)[O-])C(C)(CCC(=O)[O-])1)2))=C(CCC(=O)[O-])C(CC(=O)[O-])=3))=C(CCC(=O)[O-])C(C)(CC(=O)[O-])4))C(CCC(=O)[O-])C(C)(CC(=O)[O-])5)'
p5024
sS'CPD-656'
p5025
S'C(=O)(C1(NC(CC1)=O))[O-]'
p5026
sS'CPD-657'
p5027
S'C(N)#N'
p5028
sS'CPD-654'
p5029
S'[CH](=O)CCC(C([O-])=O)=O'
p5030
sS'CPD-10831'
p5031
S'CC1(=NC=C(CCN)N1)'
p5032
sS'CPD-8004'
p5033
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C([O-])=2)=C(O)C=C(O)C=3)))'
p5034
sS'CPD-658'
p5035
S'CC1(OC(C(C(C1=O)O)O)OP(OP(OCC2(OC(C(C2O)O)N3(C(N=C(C=C3)N)=O)))(=O)[O-])(=O)[O-])'
p5036
sS'CPD-10832'
p5037
S'CC(C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC([O-])=O'
p5038
sS'CPD-10835'
p5039
S'C1(C=C(N)C=CC(N)=1)'
p5040
sS'CPD-10834'
p5041
S'CC1(=CC(=O)OC(=CC(=O)[O-])1)'
p5042
sS'CPD-10837'
p5043
S'CC1(C=C(Cl)C=CC(Cl)=1)'
p5044
sS'CPD-10836'
p5045
S'CC1(C=CC(Cl)=CC(Cl)=1)'
p5046
sS'PREGNANEDIOL'
p5047
S'CC(C4(C3(C(C2(C(C1(C(CC(O)CC1)CC2)C)CC3))CC4)C))O'
p5048
sS'IODINE-MOLECULE'
p5049
S'II'
p5050
sS'CPD-16368'
p5051
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p5052
sS'CPD-13470'
p5053
S'CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC'
p5054
sS'GLYCYL-PEPTIDE'
p5055
S'C(C(NC(C(O)=O)[R])=O)N'
p5056
sS'CPD-16369'
p5057
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p5058
sS'CPD-13471'
p5059
S'CCCCCCCCCCOC1(OC(C(C(C1O)O)O)CO)'
p5060
sS'CPD-16367'
p5061
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)CCCCCCCCCCCCCCC)=O'
p5062
sS'CPD-16366'
p5063
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(CCCCCCCCCCCCCC)O'
p5064
sS'CPD-16365'
p5065
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p5066
sS'CPD-16364'
p5067
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p5068
sS'CPD-16363'
p5069
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p5070
sS'CPD-16361'
p5071
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p5072
sS'CPD-16360'
p5073
S'CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p5074
sS'CPD-18912'
p5075
S'C1(C(F)=CC=C(C=1)O)'
p5076
sS'UDP-MANNACA'
p5077
S'CC(=O)NC1(C(O)C(C(C([O-])=O)OC1OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))O)'
p5078
sS'ABEQUOSYL-D-MANNOSYL-RHAMNOSYL-ETCETERA'
p5079
S'CC4(C(CC(C(OC1(C(OC(C(C1O)O)OC3(C(C(C(OC2(C(OC(C(C2O)O)OP(OP(OCC(OC([R1])=O)COC([R1])=O)(O)=O)(O)=O)CO))OC3C)O)O))CO))O4)O)O)'
p5080
sS'CPDQT-296'
p5081
S'CSCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p5082
sS'CPDQT-295'
p5083
S'CS(=O)CCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p5084
sS'CPD-17184'
p5085
S'C1(C(O)CC([N+](C)(C)1)C([O-])=O)'
p5086
sS'CPD-17185'
p5087
S'CC(=CC(N(CCCC1(NC(=O)CNC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CCCN(C(C=C(CC([O-])=O)C)=O)O)NC(=O)C(CCCN(C(C=C(CC([O-])=O)C)=O)O)NC(=O)1))O)=O)CC([O-])=O'
p5088
sS'CPD-17186'
p5089
S'CC(CC(=O)[O-])=CC(=O)N(O)CCCC([N+])C([O-])=O'
p5090
sS'CPD-17187'
p5091
S'CCCCCCCCC=CCC=CCCCCCCC(=O)[O-]'
p5092
sS'CPD-17180'
p5093
S'C([N+])C1(OC=C(COP([O-])(=O)OP([O-])([O-])=O)C=1)'
p5094
sS'CPD-17181'
p5095
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p5096
sS'CPD-17182'
p5097
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CC(NC(CC(C(NC(CCC(NC(CCC(NC(CCC([O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)O)=O)C([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p5098
sS'CPD-8484'
p5099
S'C(CCCCCCC([O-])=O)(=O)NCC([O-])=O'
p5100
sS'CPD-18260'
p5101
S'CC3(C(C)=C2(C(C)(C)CCN1(C4(C(=O)NC(=O)NC(N(CC(O)C(O)C(O)COP([O-])(=O)[O-])C(=C12)C=3)=4))))'
p5102
sS'CPD-8486'
p5103
S'COC1(=C(O)C(OC)=CC(C([O-])=O)=C1)'
p5104
sS'CPD-17188'
p5105
S'CCCCCC=CCC=CCCCCCCCCCC(=O)[O-]'
p5106
sS'CPD-17189'
p5107
S'CC4(OP([O-])(=O)OC1(C(O)C(OC(CO)1)N3(C2(C(N)=NC=NC=2[N+](=C3)[Co+]89%11(N6(=C5(C(C)=C%12(C(CC(=O)N)(C(CCC(N)=O)C(C=C%10(C(C)(C)C(CCC(N)=O)C(C(C)=C7(C(CCC(NC4)=O)(C(CC(N)=O)C(C(C)(C(C)(CC(N)=O)C(CCC(=O)N)5)6)N78)C))=[N+]9%10))=[N+]%11%12)C))))(CC%13(C(C(O)C(O%13)N%14(C=NC%15(C%14=NC=NC=%15N)))O))))))'
p5108
sS'CPD-8482'
p5109
S'CC1(C)(CC5(C(CC1)(CCC4(C)(C3(C)(C(C2(C)(C(C(C)(C)C(O)C(O)C2)CC3))CC=C45)))C([O-])=O))'
p5110
sS'CPD-18418'
p5111
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p5112
sS'CPD-7939'
p5113
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC'
p5114
sS'GAMMA-GLUTAMYL-D-GLUTAMATE'
p5115
S'C(CC(NC(CCC(=O)[O-])C(=O)[O-])=O)C([N+])C([O-])=O'
p5116
sS'CPD-7289'
p5117
S'C1(C(O)C(C([O-])=O)N1CC(O)C([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p5118
sS'CPD-7287'
p5119
S'CC(CO)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p5120
sS'CPD-7286'
p5121
S'CC(CCCC(O)(C)C)[CH]3(CC[CH]4([CH]2(C(O)C=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p5122
sS'CPD-7937'
p5123
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC'
p5124
sS'CPD-7284'
p5125
S'CC([CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p5126
sS'CPD-7931'
p5127
S'CCCCCCCCC=CCCCCCCCCCCCCCCCCCCC'
p5128
sS'CPD-7282'
p5129
S'CC(CCC(=O)NCCS([O-])(=O)=O)[CH]2(CC[CH]3([CH]4(C(O)C(O)[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p5130
sS'CPD-7933'
p5131
S'CCCCCCCCC=CCCCCCCCCCCCCC'
p5132
sS'CPD-7932'
p5133
S'CCCCCCCCC=CCCCCCCCCCCCCCCC'
p5134
sS'COUMARYL-ALCOHOL'
p5135
S'C(=CC1(=CC=C(O)C=C1))CO'
p5136
sS'H2CO3'
p5137
S'C(O)(=O)O'
p5138
sS'LIPID-IV-A'
p5139
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))'
p5140
sS'PRENOL'
p5141
S'CC(C)=CCO'
p5142
sS'246-TRINITROBENZENE'
p5143
S'C1(C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+](=O)[O-])'
p5144
sS'CPD-14076'
p5145
S'C[N+]1([CH](CCC1)C2(C=NCC=C2))'
p5146
sS'DIHYDROMONACOLIN-L'
p5147
S'CC2(CC[CH]3(C(CCC1(OC(=O)CC(O)C1))C(C)C=C[CH](C2)3))'
p5148
sS'L-1-GLYCEROPHOSPHORYLETHANOL-AMINE'
p5149
S'C(OP([O-])(OCC(CO)O)=O)C[N+]'
p5150
sS'CPD-14062'
p5151
S'CC1(C)([CH]2(CC(=O)C1(CC(O)2)C))'
p5152
sS'R-MANDELAMIDE'
p5153
S'C1(C=CC(=CC=1)C(O)C(N)=O)'
p5154
sS'CPD-14067'
p5155
S'CC(C)C12(CC1C(C)C(=O)C2)'
p5156
sS'CPD-14064'
p5157
S'C2(=CC1(C(C(=O)C1)C2))'
p5158
sS'CPD-14065'
p5159
S'CC(C)C12(CC1C(C)C(O)C2)'
p5160
sS'CPD-14453'
p5161
S'C2(OC1(C=C(C(O)=CC=1C=C2)OC))(=O)'
p5162
sS'CPD-6883'
p5163
S'C2(=CC3(OC1(C(=C(O)C=C([O-])C=1)C(=O)C(C=C(O)2)=3)))'
p5164
sS'CPD-14069'
p5165
S'CC(=O)N(CCCCC(NC(CC(C(=O)[O-])(O)CC([O-])=O)=O)C(=O)[O-])O'
p5166
sS'GALACTITOL'
p5167
S'C(C(C(C(C(O)CO)O)O)O)O'
p5168
sS'CPD-6884'
p5169
S'C1(=C([O-])C=C2(OC3(=CC(=C(O)C=C(C(=O)C(=C(O)1)2)3)O)))'
p5170
sS'CPD-6885'
p5171
S'C2(C=C(O)C3(OC1(C(=C(O)C=C([O-])C=1)C(=O)C(C(O)=2)=3)))'
p5172
sS'CPD0-1430'
p5173
S'C(=[N+])(N)CC1(C=CC=CC=1)'
p5174
sS'CPD-13250'
p5175
S'CC1(=C([O-])C(=O)CC(O1)OC2(C3(CCC4(C5(CCC6(C(C(CCC(C(CC=C(C(CC(C)(C2)C)3)4)5)6C)O)(C)CO))C)C)C))'
p5176
sS'CPD-13251'
p5177
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C(O)3)O)4C)C)5C)(CO)C)O)C))))C'
p5178
sS'CPD-13254'
p5179
S'CC7(C)(CC(O)C6(C)([CH](C5(=CC[CH]4(C3(C)(CCC(OC2(OC(C([O-])=O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))2))C(C)(CO)[CH]3CCC(C)4C(C)5CC6))))C7))'
p5180
sS'CPD-13255'
p5181
S'CC8(C(O)C(O)C(O)C(OC7(C(O)C(O)C(CO)OC(OC6(C(O)C(O)C(C(=O)[O-])OC(OC4(CCC3(C)([CH]5(CC=C2(C(C)(CCC1(C)(C(O)CC(C)(C)C[CH]12))C(C)(CC[CH]3C(CO)(C)4)5)))))6))7))O8)'
p5182
sS'CPD-13256'
p5183
S'CC6(C[CH](C(C)C=C[CH]5(OC4(CC[CH]3(O[CH](C(O)CC(C)[CH]2(OC1(CCCCO1)CCC(C)2))C(=C)C(O)[CH]3O4))CC5))OC7(C=6)(C(O)CC[CH](CC(C)(O)C([O-])=O)O7))'
p5184
sS'CPD-18733'
p5185
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(=O)2)[O-]))'
p5186
sS'CPD-13259'
p5187
S'CC(C)CC(CC([O-])=O)[N+]'
p5188
sS'CPD-18730'
p5189
S'CNC(=O)NC(C([O-])=O)N(C)C(=O)NC'
p5190
sS'CPD-8489'
p5191
S'COC1(C(O)=CC(C=O)=CC=1)'
p5192
sS'CPD-18989'
p5193
S'CCCCCCCC(=O)C'
p5194
sS'CPD-18988'
p5195
S'CCCCCCC(=O)C'
p5196
sS'PHENYLACETATE'
p5197
S'C1(=CC=C(C=C1)CC([O-])=O)'
p5198
sS'CPD-18981'
p5199
S'CC(=CC(OCCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)=O)C[CH]4(C(O)C(O)[CH](CC=CC(C(C)O)C)CO4)'
p5200
sS'AMINO-ACETONE'
p5201
S'CC(C[N+])=O'
p5202
sS'CPD-18983'
p5203
S'CC(O)C=CCC1(C(=O)CCC1CC([O-])=O)'
p5204
sS'CPD-18985'
p5205
S'CCCC'
p5206
sS'CPD-18984'
p5207
S'CCC'
p5208
sS'CPD-18987'
p5209
S'C1(CC(=O)C1)'
p5210
sS'CPD-18041'
p5211
S'CC3(C(=O)C4(C[CH]5(C2(N(C)C(CC1(C(=O)C(C)=C(OC)C(=O)C=12))C(O)N(C(CNC(=O)C(=O)C)C(C(=O)C(OC)=3)=4)5))))'
p5212
sS'2-CARBOXYMUCONATE'
p5213
S'C(=CC(=O)[O-])C=C(C(=O)[O-])C(=O)[O-]'
p5214
sS'CPD-14207'
p5215
S'C3(OC2(C([N+])CC([N+])C(OC1(OCC(O)C(O)C(O)1))C(O)2))(OC(CO)C(O)C(O)C([N+])3)'
p5216
sS'CPD-14205'
p5217
S'CC(=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C([O-])=O'
p5218
sS'CPD-14451'
p5219
S'CCC=CCC1(C(=O)CC(O)C(C)=1)'
p5220
sS'CPD-14203'
p5221
S'CC(O)C(O)C2(CNC1(NC(=NC(C=1N=2)=O)N))'
p5222
sS'CPD-8485'
p5223
S'C3(C=CC(C1(OC2(C(C(=O)C=1)=CC=CC=2)))=CC=3)'
p5224
sS'CPD-18735'
p5225
S'C4(O)(OC(CO)C(OC3(OC(CO)C(O)C(OC1(OCC(O)C(O)C(O)1))C(OC2(OC(CO)C(O)C(O)C(O)2))3))C(O)C(O)4)'
p5226
sS'CPD0-2383'
p5227
S'C1(=NC2(=C(N1)C(Cl)=NC=N2))'
p5228
sS'CPD-14208'
p5229
S'CC(O)C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(OC1(OCC(O)C(O)C(O)1))C(O)2))O3)'
p5230
sS'CPD0-2381'
p5231
S'C[Te](=O)([O-])=O'
p5232
sS'CPD0-1432'
p5233
S'C(N)(=[N+]CC1(C=CC=CC=1))C2(C=CC=CC=2)'
p5234
sS'CPD-8481'
p5235
S'CCC(C(C)C)CCC(C)C4(C3(C)(C(C2(C(C1(C)(C(CC(O)CC1)CC2))CC3))CC4))'
p5236
sS'CPD-5861'
p5237
S'C(O)C1(C(O)C(O)CC(O)O1)'
p5238
sS'CPD-14450'
p5239
S'CC(=CC4(C(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C4(C)C))C'
p5240
sS'ACETALD'
p5241
S'C[CH]=O'
p5242
sS'KIEVITONE-CPD'
p5243
S'CC(=CCC1(=C(C=C(C2(=C1OCC(C2=O)C3(C=CC(=CC=3O)O)))O)[O-]))C'
p5244
sS'CPD-18181'
p5245
S'CC(=O)CC1(=CC2(C=C(O)C=C(O)C(C(O)=C1C=O)=2))'
p5246
sS'CPD-18180'
p5247
S'CC3(OCC2(=C(O)C1(=C(C(=O)C(OC)=CC(=O)1)C(O)=C2C3)))(O)'
p5248
sS'CPD-18183'
p5249
S'CC(=O)CC1(=CC2(C=C(OC)C=C(O)C(C(O)=C1C=O)=2))'
p5250
sS'CPD-18182'
p5251
S'CC(=O)CC1(=CC2(C=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p5252
sS'CPD-18185'
p5253
S'CC(=O)CC1(=C(O)C2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p5254
sS'CPD-18184'
p5255
S'CC(=O)CC1(=CC2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p5256
sS'CPD-18187'
p5257
S'CC3(O)(OCC2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C3)))'
p5258
sS'CPD-18186'
p5259
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1CO)=2))'
p5260
sS'CPD-18189'
p5261
S'CC3(OC(O)C2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C=3)))'
p5262
sS'CPD-18188'
p5263
S'CC(O)C1(=C3(C(=CO1)C(=O)C2(=C(C(O)=C(OC)C=C(OC)2)C(=O)3)))'
p5264
sS'CPD-8342'
p5265
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p5266
sS'FUM'
p5267
S'C(C([O-])=O)=CC(=O)[O-]'
p5268
sS'CPD-7935'
p5269
S'CCCCCCCCCCCCCCCCCCCCC'
p5270
sS'AMIDINOPROCLAVAMINATE'
p5271
S'C1(CCN(C(C(CCNC(N)=[N+])O)C(=O)[O-])1)=O'
p5272
sS'CPD-18476'
p5273
S'C1(OC(C=C1)(C(Cl)C([O-])=O)Cl)(=O)'
p5274
sS'3-ETHYLCATECHOL'
p5275
S'CCC1(C=CC=C(O)C(O)=1)'
p5276
sS'CPD-7285'
p5277
S'CC(CCCC(O)(C)C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p5278
sS'2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET'
p5279
S'CC(OP(=O)([O-])[O-])(CO)C(O)COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O'
p5280
sS'CPD0-2523'
p5281
S'C1(C=CC(=CC=1)C(CC(C(=O)[O-])=O)=O)'
p5282
sS'CPD0-2521'
p5283
S'CC([N+])P([O-])([O-])=O'
p5284
sS'CPD0-2526'
p5285
S'CCOC(=O)CCC[N+]'
p5286
sS'CPD0-2527'
p5287
S'COC1(=CC=C(N)C=C1)'
p5288
sS'CPD-7930'
p5289
S'CCCCCCCCC=CCCCCCCCCCCCCCCCCC'
p5290
sS'CPD-15009'
p5291
S'C1(C=C(C(=O)[O-])C=[N+](C=1)C5(C(C(C(COP(=O)([O-])OP(=O)([O-])OCC4(C(C(C(N3(C=NC2(C(N)=NC=NC=23)))O4)OP(=O)([O-])[O-])O))O5)O)O))'
p5292
sS'CPD-15008'
p5293
S'C4(OP([O-])(=O)OP(OCC1(C(O)C(OP([O-])(=O)[O-])C(O1)N2(C=NC3(C2=NC=[N+](C(N)=3)C5(OC4C(O)C(O)5)))))([O-])=O)'
p5294
sS'NITROGEN-OXIDE'
p5295
S'[N+](=O)=O'
p5296
sS'CPD-15003'
p5297
S'COC1(C(=C(C=C(C=1)C3(C(=CC2(C(=CC(=CC=2[O+]=3)O)[O-]))[O-]))O)O)'
p5298
sS'CPD-15002'
p5299
S'CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC6(=CC4(C(OC3(OC(CO)C(O)C(O)C(O)3))=CC([O-])=CC=4[O+]=C(C5(C=C(O)C(O)=CC=5))6))))'
p5300
sS'CPD-15553'
p5301
S'CC1(C)(C(=O)N(OC1)CC2(C(Cl)=CC=CC=2))'
p5302
sS'CPD-15552'
p5303
S'CC4(C(=O)C[CH]3(CC[CH]2([CH](CCC1(C)([CH](CCC(C)(O)1)2))C(C)3C4)))'
p5304
sS'CPD-15555'
p5305
S'C([O-])(=O)CC1(=C(O)NC2(C=CC=CC1=2))'
p5306
sS'CPD-15554'
p5307
S'C1(CC([N+])C(=O)O1)'
p5308
sS'CPD-15005'
p5309
S'C(O)C1(C(C(O)C(O)C(O1)OC2(C=C([O-])C5(=C(C=2)[O+]=C(C3(C=C(C(O)=CC=3)O))C(OC4(C(O)C(C(O)C(CO)O4)O))=C5)))O)'
p5310
sS'ACETOL'
p5311
S'CC(=O)CO'
p5312
sS'CPDQT-84'
p5313
S'CSC(=O)OCC2(=C[CH]4(OC(=O)C3(=COC(O[CH]1(C(O)C(C(O)C(CO)O1)O))[CH]2[CH]34)))'
p5314
sS'CPD-12636'
p5315
S'C(#N)C(SCC([N+])C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p5316
sS'20-HYDROXY-LEUKOTRIENE-E4'
p5317
S'C(O)CCCCC=CCC=CC=CC=CC(SCC(C(=O)[O-])[N+])C(CCCC([O-])=O)O'
p5318
sS'DIMETHYLARSINATE'
p5319
S'C[As](C)(=O)[O-]'
p5320
sS'PHASEOLLIDIN-HYDRATE'
p5321
S'CC(O)(CCC4(C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C=3C=CC(O)=4))))C'
p5322
sS'AMINO-HYDROXY-OHPROPYL_DIHYDROPTERIDIN'
p5323
S'C1(NC(O)C2(=C([N+]=1)NCC(=N2)C(O)C(COP(=O)(OP(OP(O)(=O)[O-])(=O)[O-])[O-])O))N'
p5324
sS'L-THYROXINE'
p5325
S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p5326
sS'COFORMYCIN'
p5327
S'C3(NC=[N+]C1(=C(N=CN1C2(OC(CO)C(O)C2O))C3O))'
p5328
sS'IMIDAZOLE-RING'
p5329
S'C1(=CN=CN1)'
p5330
sS'CPD-7708'
p5331
S'C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(=CC(=C(C=C3)O)O))=4)[O-])OC5(C(C(C(C(O5)COC(CC(=O)[O-])=O)O)O)O)))))OC(C=CC6(C=CC(=CC=6)O))=O'
p5332
sS'3-HEXAPRENYL-4-HYDROXYBENZOATE'
p5333
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C'
p5334
sS'CPD-7702'
p5335
S'CC(S)(C)C(N)C(=O)O'
p5336
sS'CPD-7703'
p5337
S'CC(CC(CC([O-])=O)[N+])[N+]'
p5338
sS'CPD-7700'
p5339
S'C(OC(=O)CC([O-])=O)C1(C(O)C(OC(=O)CC(=O)[O-])C(O)C(O1)OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))'
p5340
sS'CPD-7706'
p5341
S'CCCC(CC([O-])=O)=O'
p5342
sS'CPD-7707'
p5343
S'CC(C(C)=O)C(=O)[O-]'
p5344
sS'ACETYL-COA'
p5345
S'CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p5346
sS'ALPHA-SANTONIN'
p5347
S'CC3(C(=O)OC1(C(CCC2(C=CC(=O)C(C)=C12)C)3))'
p5348
sS'CPD-18513'
p5349
S'C1(N=CN(P([O-])(=O)[O-])C=1CC(C(=O)[O-])[N+])'
p5350
sS'2-AMINOACRYLATE'
p5351
S'C=C(N)C(=O)[O-]'
p5352
sS'CPD-4243'
p5353
S'C[CH]=C5(CN1([CH]4(C[CH]([CH](CO)[CH]1CC3(=C(NC2(C(=CC(O)=CC=2)3))4))5)))'
p5354
sS'CPD-9360'
p5355
S'CCCN(C(=O)SCC)CCC'
p5356
sS'CPD-4241'
p5357
S'CCC4([CH]3(C5(C(O)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p5358
sS'CPD-9366'
p5359
S'COC1(C=C(C(=CC=1)C3(CC2(C(=CC(=CC=2)O)OC3)))O)'
p5360
sS'CPD-9367'
p5361
S'COC1(=CC(OC)=CC=C1C3(CC2(C(=CC(=CC=2)O)OC3)))'
p5362
sS'CPD-17082'
p5363
S'C1(C=C3(O[Fe]2(OC(=O)C(CO)NC(=O)C(C=1)=C(O2)3)))'
p5364
sS'CPD-9368'
p5365
S'CC(NC1(N=C(N)N=C(N=1)O))C'
p5366
sS'3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX'
p5367
S'CC([CH]=O)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p5368
sS'D-HAMAMELOSE-2-PHOSPHATE'
p5369
S'C1(OC(O)C(CO)(OP(=O)([O-])[O-])C(O)C(O)1)'
p5370
sS'CPD1F-120'
p5371
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p5372
sS'CPD-14492'
p5373
S'C=C(C)C5(CCC4([CH]=O)(CCC3(C)([CH](CC[CH]2(C1([CH](C(C)(C)C(CC1)O)CCC(C)23)(C)))[CH]45)))'
p5374
sS'INDOLE'
p5375
S'C2(C=CC1(=C(C=CN1)C=2))'
p5376
sS'3-OXO-DELTA4-DEOXYCHOLYL-COA'
p5377
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(=CC(=O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p5378
sS'CPD-13899'
p5379
S'CCC1(C[N+](C)C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))'
p5380
sS'CPD-13892'
p5381
S'CCCC1(CC([N+](C)C1)C(=O)NC(C(Cl)C)C2(C(O)C(O)C(O)C(SC)O2))'
p5382
sS'CPD-13893'
p5383
S'CCCC1(C[N+](C)C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))'
p5384
sS'CPD-13890'
p5385
S'C(=O)C(=O)C1(C=CC(OCC(=O)[O-])=CC=1)'
p5386
sS'CPD-13896'
p5387
S'CC(O)C([N+])C1(C(O)C(O)C(O)C(SC)O1)'
p5388
sS'CPD-13897'
p5389
S'CCCC1(C[N+]C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))'
p5390
sS'CPD-13894'
p5391
S'CCCC1(CC(C([O-])=O)[N+]C1)'
p5392
sS'CPD-13895'
p5393
S'C(NN)CC1(C=CC=CC=1)'
p5394
sS'PHOSPHORIBOSYL-ATP'
p5395
S'C(C4(C(C(C(N3(C(C2(=C(N(C1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])O)(=O)[O-])O)O))C=N2)N=C3))=N))O4)O)O))OP([O-])([O-])=O'
p5396
sS'CPD1G-1344'
p5397
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CO)O)O)O))'
p5398
sS'ITP'
p5399
S'C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p5400
sS'CMP-N-ACETYL-NEURAMINATE'
p5401
S'CC(=O)NC3(C(CC(C(=O)[O-])(OP(=O)([O-])OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))O[CH]3C(O)C(O)CO)O)'
p5402
sS'15-OXO-5811-CIS-13-TRANS-ICOSATETRAENO'
p5403
S'CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)[O-]'
p5404
sS'ALPHA-PINENE-OXIDE'
p5405
S'CC3(C2(CC1(OC1(C(C2)3)C)))(C)'
p5406
sS'CPD-229'
p5407
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C(=O)[O-])(C)C(O)C(=O)C=C([CH](CC2)3)4))C([O-])=O)))'
p5408
sS'BIOCHANIN-A'
p5409
S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p5410
sS'CPD-221'
p5411
S'C(O)C1(OC(C(C(C1O)O)O)OC2(C(C(C(OC2CO)O)O)O))'
p5412
sS'METHYLOXALO-ACETATE'
p5413
S'CC(C(=O)[O-])C(=O)C(=O)[O-]'
p5414
sS'CPD-226'
p5415
S'C=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p5416
sS'CPD-225'
p5417
S'C([O-])(=O)C=C(C([O-])=O)CC([O-])=O'
p5418
sS'TOLUENECISDHDIOL'
p5419
S'CC1(=CC=CC(C(O)1)O)'
p5420
sS'CAPSAICIN'
p5421
S'CC(C=CCCCCC(NCC1(C=CC(=C(C=1)OC)O))=O)C'
p5422
sS'CPD-12295'
p5423
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)CCC(=O)NC(CCCCNC(CC([N+])C(N)=O)=O)C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p5424
sS'CPD-15014'
p5425
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(CC2(=CC=CC=C2))3))'
p5426
sS'UROPORPHYRINOGEN-III'
p5427
S'C(=O)([O-])CCC3(C(=C2(CC5(NC(CC4(NC(CC1(NC(=C(C=1CC(=O)[O-])CCC(=O)[O-])CC(N2)=3))=C(CC(=O)[O-])C=4CCC(=O)[O-]))=C(CC([O-])=O)C(CCC(=O)[O-])=5)))CC(=O)[O-])'
p5428
sS'FARNESYL-PP'
p5429
S'CC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)[O-])(=O)[O-])C)C)C'
p5430
sS'CPD-3618'
p5431
S'CCCC(=O)C(=O)[O-]'
p5432
sS'CPD-17307'
p5433
S'CC(C=CC=C(CCC=C(CCCC(C)(C)OC)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)C'
p5434
sS'DOPAQUINONE'
p5435
S'C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1)'
p5436
sS'CPD-17570'
p5437
S'C1(C(=N([O-])=O)C(C(CC1=[N+](O)[O-])=N(=O)[O-])=O)'
p5438
sS'CPD-17573'
p5439
S'C(=NN=CC1(C=C(OC)C(O)=C(OC)C=1))C2(C=C(OC)C(=C(OC)C=2)O)'
p5440
sS'CPD-17572'
p5441
S'C1(C(=N([O-])=O)C(C(CC1[N+](=O)[O-])=N(=O)[O-])=O)'
p5442
sS'CPD-3733'
p5443
S'CC1(=CN(C(NC1=O)=O)C3(CC2(C(COP([O-])(=O)O2)O3)))'
p5444
sS'CPD-8012'
p5445
S'CC1(C(O)C(O)C(O)C(O1)OC4(C(=O)C5(C(O)=CC(OC2(C(C(C(C(O2)CO)O)O)O))=CC(OC(C3(=CC=C(O)C=C3))=4)=5)))'
p5446
sS'CPD-8011'
p5447
S'CC1(C(O)C(O)C(O)C(O1)OC4(C(=O)C5(C(O)=CC(OC2(C(C(C(C(O2)CO)O)O)O))=CC(OC(C3(=CC=C(O)C(=C3)O))=4)=5)))'
p5448
sS'CPD-13409'
p5449
S'C(O)C3(OC1(OC(CO)C(O)C(O)C(O)1))(C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)C(CO)O3)'
p5450
sS'CPD-3736'
p5451
S'C(C(CSCC(C(=O)[O-])[N+])[N+])(=O)[O-]'
p5452
sS'CPD-3735'
p5453
S'[O-]P(O)(=S)[S-]'
p5454
sS'CPD-8546'
p5455
S'CC(NC2(C(OC1(OC(C(O)C(C1O)O)CO))C(C(CO)OC2O)O))=O'
p5456
sS'CPD-13405'
p5457
S'C(=O)([O-])C(Br)CC(=O)[O-]'
p5458
sS'1516-DIHYDROBILIVERDIN'
p5459
S'C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC(=O)[O-])=C(C=C2(C(CCC(=O)[O-])=C(C)C(=N2)C[CH]3(C(C)=C(C=C)C(=O)N3)))N4))=O)'
p5460
sS'CPD-13407'
p5461
S'CC(O)C(=O)N'
p5462
sS'CPD-13406'
p5463
S'C([N+])C(=O)NC(CC(=O)[O-])C([O-])=O'
p5464
sS'CPD-13401'
p5465
S'CC([N+])C(=O)NC(CC1(=CNC=N1))C(=O)[O-]'
p5466
sS'CPD-13403'
p5467
S'CC([N+])C(=O)NC(C([O-])=O)CCC(=O)N'
p5468
sS'CPD-13402'
p5469
S'CC(C)=CCCC1(C)(C2(CC1C(=C)CC2))'
p5470
sS'CPD-7795'
p5471
S'CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p5472
sS'CPD-11669'
p5473
S'CC4(C3(C(C1(C2(CC(O)(C)C(CC1)C2)CC3))(CCC4)C))C'
p5474
sS'CPD-11668'
p5475
S'COC1(C(O)=C(O)C=C(C=1)C=CC(=O)NCCCCN(CCCNC(C=CC2(C=C(OC)C(O)=C(OC)C=2))=O)C(=O)C=CC3(C=C(O)C(O)=C(OC)C=3))'
p5476
sS'CPD-11662'
p5477
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(C(OC)=CC(C=1C)=O)=O))C)C)C)C)C)C)C)C)C'
p5478
sS'CPD-11661'
p5479
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(C(OC)=CC(C=1)=O)=O))C)C)C)C)C)C)C)C)C'
p5480
sS'CPD-11660'
p5481
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(C(OC)=CC(C=1C)=O)=O))C)C)C)C)C)C)C)C)C)C'
p5482
sS'CPD-11667'
p5483
S'COC1(C(O)=C(O)C=C(C=1)C=CC(=O)NCCCCN(CCCNC(C=CC2(C=C(O)C(O)=C(OC)C=2))=O)C(=O)C=CC3(C=C(O)C(O)=C(OC)C=3))'
p5484
sS'CPD-11666'
p5485
S'C(OP(=O)([O-])OP(=O)([O-])OC1(C(O)C(C(O)C(O)C(O)1)O))C2(C(O)C(O)C(O2)N4(C=NC3(C(=O)NC(N)=NC=34)))'
p5486
sS'CPD-11665'
p5487
S'C(N)CC1(=CNC2(=C1C=C(OS(=O)(=O)O)C=C2))'
p5488
sS'CPD0-939'
p5489
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC%11(C(C(OC(COC%10(C(=O)[O-])(O[CH](C(O)CO)C(OC8(OC(C(O)CO)C(OP([O-])([O-])=O)C(OC7(OC(C(O)COC1(OC(C(O)CO)C(O)C(O)C(O)1))C(OP([O-])(=O)[O-])C(OC6(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(OC5(OC(CO)C(O)C(O)C(OC4(OC(COC3(OC(C(O)CO)C(O)C(O)C(O)3))C(O)C(O)C(O)4))5))C(O)6))C(O)7))C(O)8))C(OC9(O[CH](C(CO)O)C(O)C(O)C9)C(=O)[O-])C%10))C%11OP([O-])([O-])=O)OCC%12(OC(OP(=O)([O-])[O-])C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)%12))NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p5490
sS'CPD-17791'
p5491
S'CC2(C(C(=O)C1(C(O)=CC(O)=CC(O)=1))=C(O)C=C(O)C=2)'
p5492
sS'CPD-17790'
p5493
S'CC3(C1(=C(OC2(C(C(=O)1)=C(O)C=C(O)C=2))C=C(O)C=3))'
p5494
sS'CPD-17793'
p5495
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5496
sS'CPD-17792'
p5497
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5498
sS'CPD-17795'
p5499
S'CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p5500
sS'CPD-17797'
p5501
S'CC=CC=CCCCCCCC(=O)[O-]'
p5502
sS'CPD-17796'
p5503
S'CC=CC=CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p5504
sS'CPD-17799'
p5505
S'CC3(C1(OC2(C=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5506
sS'CPD-17798'
p5507
S'CC=CC=CCCCCCCCO'
p5508
sS'CPD-10826'
p5509
S'CC(C(=O)CC(=O)[O-])CC(=O)[O-]'
p5510
sS'PYRIDINE'
p5511
S'C1(=CC=CC=N1)'
p5512
sS'CPD-10727'
p5513
S'C(O)C1(O)(OCC(O)C(O)C(O)1)'
p5514
sS'ORSELDEP-CPD'
p5515
S'CC2(C=C(O)C=C(C(C(=O)OC1(C=C(O)C(C(=O)[O-])=C(C=1)C))=2)O)'
p5516
sS'CPD-352'
p5517
S'CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p5518
sS'CPD-351'
p5519
S'CC23(CC[CH]1(C4(C=CC(O)=CC(CC[CH]1[CH](CCC(O)2)3)=4)))'
p5520
sS'UDP-L-RHAMNOSE'
p5521
S'CC3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C(O)3)'
p5522
sS'DEOXYXYLULOSE-5P'
p5523
S'CC(=O)C(O)C(O)COP([O-])(=O)[O-]'
p5524
sS'CYCLOHEX-13-DIENE-56-DIHYDROXY-1-CARBO'
p5525
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C2(=CC=CC1(OC12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p5526
sS'GLC-6-P'
p5527
S'C(C1(OC(C(C(C1O)O)O)O))OP([O-])([O-])=O'
p5528
sS'VIOLACEIN'
p5529
S'C3(=O)(C(=C2(C(=O)NC1(C(=CC=CC=1)2)))C=C(N3)C4(=CNC5(=C4C=C(O)C=C5)))'
p5530
sS'5-AMINO-2-OXOPENTANOATE'
p5531
S'C(C[N+])CC(=O)C([O-])=O'
p5532
sS'CARBONYL-GROUP'
p5533
S'C(=O)([R1])[R1]'
p5534
sS'5-METHYL-THF'
p5535
S'CN2([CH](CNC1(=C(C(=O)NC(N)=N1)2))CNC3(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=3))'
p5536
sS'CPD-18404'
p5537
S'CCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC[N+])=O'
p5538
sS'CPD-11932'
p5539
S'C1(N=C(N)C2(N=CN(C(N=1)=2)C3(C(O)C(O)C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(OCC6(OC(N4(C=NC5(=C4N=CN=C(N)5)))C(O)C(O)6))(=O)[O-])))'
p5540
sS'CPD-18406'
p5541
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC(O)CO)=O'
p5542
sS'CPD-11930'
p5543
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(O)C(O)C(OP(=O)([O-])[O-])1)'
p5544
sS'2-OXO-5-METHYLTHIOPENTANOIC-ACID'
p5545
S'CSCCCC(=O)C(=O)[O-]'
p5546
sS'CPD-18401'
p5547
S'CCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p5548
sS'CPD-18402'
p5549
S'CCCCCCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p5550
sS'CPD-18403'
p5551
S'CCCCCCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+])=O'
p5552
sS'CPD-12312'
p5553
S'CC(C)CC(C([O-])=O)NC(C[N+])=O'
p5554
sS'CPD-12313'
p5555
S'CC(=O)N(O)CCCNC(=O)CC(O)(C([O-])=O)CC(NCCCN(O)C(=O)C)=O'
p5556
sS'CPD-12310'
p5557
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC([N+])C(N)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC([N+])C(N)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C'
p5558
sS'CPD-11938'
p5559
S'C1(OP(=O)([O-])[O-])(C(OP(=O)([O-])[O-])C(OP([O-])(=O)OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(OP([O-])(=O)[O-])([O-])=O)C(OP([O-])([O-])=O)1)'
p5560
sS'CPD-12316'
p5561
S'C[N+]%10(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)O)OC9(C6(=C8(C57(C(C([N+](CC5)C)C6)C=CC(O)C7OC8=C(O)C=9))))))(CC%10))))'
p5562
sS'CPD-12317'
p5563
S'C1(=NC=C(C=C1)C2([N+]CCCC2))'
p5564
sS'CPD-12314'
p5565
S'CC(C(=O)[O-])[N+]CC[N+]C(C([O-])=O)CCCCNC(CC(O)C([O-])=O)=O'
p5566
sS'CPD-12315'
p5567
S'C[N+]%10(C1(C9(C8(C7(=C(C1)C(C6(C3(=C5(C24(C(C([N+](CC2)C)C3)C=CC(O)C4OC5=C(O)C=6)))))=CC(=C7OC8C(C=C9)O)O))(CC%10))))'
p5568
sS'CPD-15634'
p5569
S'COC1(C=C2(OC(CC(C(=C(C(O)=1)O)2)=O)C3(C=CC(=CC=3)O)))'
p5570
sS'CPD-12915'
p5571
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p5572
sS'CPD-12916'
p5573
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(CO)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p5574
sS'CPD-12917'
p5575
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(CO)C(O)CCC(C)1[CH]2CCC(C)34))))'
p5576
sS'CPD-12910'
p5577
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p5578
sS'CPD-12911'
p5579
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(CO)C(O)CCC(C)1[CH]2CCC(C)34))))'
p5580
sS'CPD-12912'
p5581
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C([CH]=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p5582
sS'CPD-15633'
p5583
S'[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]'
p5584
sS'CPD-15638'
p5585
S'CC(O)(C)CCC(O)C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(O)C[CH](C(=O)C=C23)4))))'
p5586
sS'CPD-12919'
p5587
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C([O-])=O)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p5588
sS'COPROPORPHYRINOGEN_III'
p5589
S'CC1(=C2(CC5(=C(C)C(CCC([O-])=O)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC(=O)[O-])C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))'
p5590
sS'CPD-10220'
p5591
S'C(O)C1(C(O)C(=O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))'
p5592
sS'CPD-6882'
p5593
S'C3(C=C1(C(OC2(C(C1=O)=C(C=C([O-])C=2)O))=C(C=3)O))'
p5594
sS'L-ALPHA-AMINO-EPSILON-KETO-PIMELATE'
p5595
S'C([O-])(=O)C(CCCC(C([O-])=O)=O)[N+]'
p5596
sS'CPD-10223'
p5597
S'C(O)C1(C(O)C([N+])C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))'
p5598
sS'CPD-10224'
p5599
S'C(O)C1(C(O)C([N+])C(O)C(O)O1)'
p5600
sS'CPD-10225'
p5601
S'C(OP([O-])([O-])=O)C1(OC(O)C(O)C([N+])C(O)1)'
p5602
sS'CPD-10226'
p5603
S'C(OP(=O)([O-])[O-])C1(C(O)C([N+])C(O)(CO)O1)'
p5604
sS'CPD-10227'
p5605
S'C(=[N+])C(O)C(O)COP([O-])(=O)[O-]'
p5606
sS'CPD-10228'
p5607
S'C(OP([O-])(=O)[O-])C(O)C(O)C([N+])CC(=O)C(=O)[O-]'
p5608
sS'CPD-10229'
p5609
S'C(=O)([O-])C1(O)(CC(=O)C(O)C([N+])C1)'
p5610
sS'Pi'
p5611
S'[O-]P(=O)(O)[O-]'
p5612
sS'CPD-6881'
p5613
S'C2(C=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC=2)'
p5614
sS'PROPIONIC-ANHYDRIDE'
p5615
S'CCC(OC(=O)CC)=O'
p5616
sS'PREGNAN-21-OL'
p5617
S'CC34(C2(C(C1(C(C(CCO)CC1)(CC2)C))CCC3CCCC4))'
p5618
sS'16-17-DIDEHYDROPROGESTERONE'
p5619
S'CC(=O)C1(=CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p5620
sS'CPD-15777'
p5621
S'CC2(N(CC1(C(=NC(=NC=1)C)N))C=CC=C2CCO)'
p5622
sS'CPD-453'
p5623
S'C([O-])(=O)C1(=CC=C(C=C1)OC2(OC(C(C(C2O)O)O)CO))'
p5624
sS'LIOTHYRONINE'
p5625
S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p5626
sS'CPD-15946'
p5627
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CCO)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))C)'
p5628
sS'CPD-15947'
p5629
S'CCC1(CC(C)C(=O)C=CC(C)=CC(C)C(CC)OC(=O)CC(O)C(C)C1OC2(OC(C)C(O)C([N+](C)C)C(O)2))'
p5630
sS'CPD-15944'
p5631
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))CO)'
p5632
sS'CPD-15945'
p5633
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))C)'
p5634
sS'CPD-15942'
p5635
S'CC(C)CC(=O)OC3(C(C)OC(OC2(C([N+](C)C)C(O)C(OC1(C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(CC(OC(C)=O)C1OC)=O))OC(C)2))CC(O)(C)3)'
p5636
sS'CPD-15943'
p5637
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))COC3(OC(C(O)C(O)C(O)3)C))'
p5638
sS'CPD-15940'
p5639
S'CCC1(C(C3(OC(C=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)3))COC4(C(C(C(C(C)O4)O)OC)OC))'
p5640
sS'3-4DH3-4DH9FLUORENONE'
p5641
S'C3(C=C1(C(C(C2(C=CC(C(C1=2)O)O))=O)=CC=3))'
p5642
sS'CPD-15948'
p5643
S'CCC1(C(O)C(C)C(O)CC(OC(CC)C(C)C=C(C=CC(C(C)C1)=O)C)=O)'
p5644
sS'CPD-15949'
p5645
S'CCC(=O)OC3(C(OC)C(OC2(C(C(C(OC1(OC(C)C(OC(=O)CC)C(C)(O)C1))C(O2)C)[N+](C)C)O))C(CC=O)CC(C(C=CC=CCC(OC(C3)=O)C)O)C)'
p5646
sS'CPD-7135'
p5647
S'CC(=CCC1(C(=CC2(=C(C=1O)C(CC(O2)C3(C=CC(=CC=3)O))=O))[O-]))C'
p5648
sS'CPD-7134'
p5649
S'CC(=CCC1(C2(=C(C(=CC=1[O-])OC)C(CC(O2)C3(C=CC(=CC=3)O))=O)))C'
p5650
sS'CPD-7137'
p5651
S'C(O)C5(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC4(C(O)C(O)C(O)C(CO)O4))))O5)O)O)O)'
p5652
sS'CPD-7131'
p5653
S'CC(=CCC1(C(=CC(=C(C=1O)C(CCC2(C=CC(=CC=2)O))=O)OC)[O-]))C'
p5654
sS'CPD-7130'
p5655
S'CC(=CCC1(C(=C(C2(OC(C=CC(C=1[O-])=2)(C)C))C(C=CC3(C=CC(=CC=3)O))=O)O))C'
p5656
sS'CPD-7132'
p5657
S'CC1(OC2(=CC(=C(C(=C(C(C1)O)2)[O-])C(C=CC3(C=CC(=CC=3)O))=O)OC))C'
p5658
sS'CPD-7139'
p5659
S'C(O)C1(C(O)C(O)C(O)C(O1)OC5(C4(C=C(OC2(C(O)C(O)C(O)C(CO)O2))C(C3(C=C(O)C(O)=C(O)C=3))=[O+]C=4C=C([O-])C=5)))'
p5660
sS'CPD-7138'
p5661
S'C(O)C1(C(O)C(O)C(O)C(O1)OC5(C4(C=C(OC2(C(O)C(O)C(O)C(CO)O2))C(C3(=CC=C(O)C(O)=C3))=[O+]C=4C=C([O-])C=5)))'
p5662
sS'2-DEHYDRO-3-DEOXY-D-GALACTONATE'
p5663
S'C(O)C(O)C(O)CC(C(=O)[O-])=O'
p5664
sS'5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL'
p5665
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)([CH](CC=C23)CC(O)CC4))))'
p5666
sS'HOMO-CIT'
p5667
S'C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O'
p5668
sS'DIHYDROSANGUINARINE'
p5669
S'C4(C2(C(=CC=C1(OCOC1=2))C3(C=CC5(C=C6(OCOC(=CC(C=3N(C)4)=5)6)))))'
p5670
sS'MALONATE'
p5671
S'C(C([O-])=O)C([O-])=O'
p5672
sS'CPD66-23'
p5673
S'CC(=O)C3(O)(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p5674
sS'CPD-8295'
p5675
S'CCCCCCCCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p5676
sS'Polyketide-Synthase-Group'
p5677
S'CC(C)(COP(=O)([O-])OCC(N[a'
p5678
sS'CPD-14545'
p5679
S'C1(N=C([N+]([O-])=O)NC=1)'
p5680
sS'CPD-14544'
p5681
S'COC1(C(C=C3(C(=CC=1)C2(C(=CC(OC)=C(OC)C(OC)=2)CCC3N(C=O)C)))=O)'
p5682
sS'CPD-14547'
p5683
S'CC(OCC=CC1(C=CC(Br)=CC=1))=O'
p5684
sS'ISOPROPYLAMINE'
p5685
S'CC([N+])C'
p5686
sS'CPD-14541'
p5687
S'C(=O)([O-])C([N+])CC1(=CC=CC(O)=C1)'
p5688
sS'CPD-14540'
p5689
S'CCCC3(OC(C1(=CC=C(Cl)C=C(Cl)1))(CN2(N=CN=C2))OC3)'
p5690
sS'CPD-14543'
p5691
S'C[CH]1(NC2(=C(NC1)NC(N)=NC(=O)2))'
p5692
sS'CPD-12308'
p5693
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC([N+])C(N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC([N+])C(N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C'
p5694
sS'CPD-1803'
p5695
S'CC(=O)NC1(C(CC(C(=O)[O-])(O)O[CH]1C(OC(C)=O)C(O)CO)O)'
p5696
sS'DAMP'
p5697
S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP([O-])([O-])=O'
p5698
sS'CPD-8290'
p5699
S'CCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p5700
sS'CPD-15498'
p5701
S'CC(CCCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(O)C[CH](C(=O)C=C23)4))))'
p5702
sS'CPD-17897'
p5703
S'CCC(=CCCC(C)=CC(=O)OC)CCC1(OC(C)(CC)1)'
p5704
sS'CPD-17894'
p5705
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1))C'
p5706
sS'CPD-17895'
p5707
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p5708
sS'CPD-17892'
p5709
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))O))[O-])C'
p5710
sS'CPD-175'
p5711
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(OC1(C(C(C(CO1)O)O)O))([O-])=O)C)C'
p5712
sS'CPD-17890'
p5713
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC4(OC(C(=O)[O-])C(O)C(OC3(OC(C(=O)[O-])C(O)C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))C(O)3))C(O)4))O))[O-])C'
p5714
sS'CPD-17891'
p5715
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC3(OC(C(=O)[O-])C(O)C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))C(O)3))O))[O-])C'
p5716
sS'CPD-15490'
p5717
S'C1(C=COC=C1)'
p5718
sS'MALTOHEXAOSE'
p5719
S'C(C6(OC(OC5(C(OC(OC4(C(OC(OC1(C(OC(C(C1O)O)OC2(C(OC(C(C2O)O)OC3(C(OC(C(C3O)O)O)CO))CO))CO))C(C4O)O)CO))C(C5O)O)CO))C(C(C6O)O)O))O'
p5720
sS'CPD-15492'
p5721
S'C(C(C(O)C1(C=CC(O)=CC=1))[N+])(=O)[O-]'
p5722
sS'CPD-15493'
p5723
S'C(C(=C(O)C1(C=CC(O)=CC=1))N)(=O)[O-]'
p5724
sS'CPD-15494'
p5725
S'C(C(=C(O)C1(C=CC(O)=C(O)C=1))N)(=O)[O-]'
p5726
sS'CPD-15495'
p5727
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)(C)C(=O)C(O)C(O)2))O3))'
p5728
sS'CPD-15496'
p5729
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)(C)C(O)C(O)C(O)2))O3))'
p5730
sS'CPD-15497'
p5731
S'CC(C(O)CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(O)C[CH](C(=O)C=C23)4))))'
p5732
sS'PB+2'
p5733
S'[Pb++]'
p5734
sS'CPD-13799'
p5735
S'CC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))CCC(=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC5(C(OP([O-])(=O)[O-])C(O)C(O5)N7(C6(=C(C(N)=NC=N6)N=C7))))[O-])[O-])=O)C(C([O-])=O)C'
p5736
sS'CPD-13798'
p5737
S'CCC(C([CH]=O)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p5738
sS'CPD-13794'
p5739
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p5740
sS'CPD-13797'
p5741
S'CCC(CCC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))C)=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC5(C(OP([O-])(=O)[O-])C(O)C(O5)N7(C6(=C(C(N)=NC=N6)N=C7))))[O-])[O-])=O'
p5742
sS'CPD-18414'
p5743
S'CC2(C(O)CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p5744
sS'CPD-13793'
p5745
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p5746
sS'CPD-13792'
p5747
S'CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)[O-]'
p5748
sS'CPD-12301'
p5749
S'CCC(C)C(C(NC(=CC)C(NC1(C(NC(C(NC(=C)C(NC(CC(C)C)C(NC(CSC1)C(NC7(C(C)SCC(C(NC(C(NC6(C(NCC(NC(C)C(NC(C(NC(CCSC)C(NCC(NC(C(NC(C(NC(C(NC(C(NC5(C(NC(C)C(NC4(C(NC(C(NC(CC2(=C[N+]=CN2))C(NC(C(NC(CO)C(NC(C(NC(C(NC(C(NC(=C)C(NC(C(=O)[O-])CCCC[N+])=O)=O)C(C)C)=O)CC3(=CN=CN3))=O)C(C)CC)=O)=O)CSC(C)4)=O)=O)CSC(C)5)=O))=O)=O))=O)CCCC[N+])=O)CCSC)=O)CC(N)=O)=O)CSC(C)6)=O)=O)=O)CC(C)C)=O)=O)=O))=O)CCCC[N+])=O)NC(CNC(C8(CCCN(C7=O)8))=O)=O))=O)=O)=O)=O)C(C)CC)=O))=O)=O)[N+]'
p5750
sS'CPD-403'
p5751
S'CC1(=CC=C(C(=C1O)N)C([O-])=O)'
p5752
sS'1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS'
p5753
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C4(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C(O)4)OC(C5(C=C(O)C(O)=C(O)C=5))=O)'
p5754
sS'CPD-12303'
p5755
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)C(O)C(CO)O1))([O-])=O)C)C)C)C)C)C)C'
p5756
sS'CPD-1946'
p5757
S'CC6(CCC4(C(C)C5(C3(CCC2(C(CCC1(CC(O)CCC(C)12))C3CC(O4)5))(C)))OC6)'
p5758
sS'CPD-19132'
p5759
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)C(C)CC)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p5760
sS'CPD-1944'
p5761
S'C(=O)([O-])C1(CCC(C(O)C1)O)'
p5762
sS'CPD-19130'
p5763
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p5764
sS'CPD-1943'
p5765
S'C(=O)([O-])C1(O)(C=CC(=CC(O)1)C(=O)[O-])'
p5766
sS'CPD-11941'
p5767
S'C1(C=C(C(O)=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p5768
sS'CPD-19134'
p5769
S'C(O)C(=O)C(O)COP([O-])(=O)[O-]'
p5770
sS'L-DOPACHROME'
p5771
S'C([O-])(=O)C1(NC2(C(C1)=CC(=O)C(=O)C=2))'
p5772
sS'CPD-19138'
p5773
S'C(C(C(COP([O-])(=O)[O-])O)O)O'
p5774
sS'CPD-12808'
p5775
S'CCCCCCCCCCCC(O)CC([O-])=O'
p5776
sS'CPD-8844'
p5777
S'C=CC=C(CCC=C(C)C)C'
p5778
sS'GERANIOL'
p5779
S'CC(C)=CCCC(=CCO)C'
p5780
sS'CPD-8846'
p5781
S'C=CC=C(CCC=C(CCC=C(C)C)C)C'
p5782
sS'4-hydroxybenzoate'
p5783
S'C(C1(C=CC(=CC=1)O))(=O)[O-]'
p5784
sS'CPD-12307'
p5785
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CC([N+])C(N)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p5786
sS'AMINO-ETCETERA-PYRIDIN-1-YL-PROPANOATE'
p5787
S'C1(N(C=C(C(C=1)=O)[O-])CC([N+])C(=O)[O-])'
p5788
sS'TYLOSIN'
p5789
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(OC)C(OC)4)C))'
p5790
sS'CPD-8848'
p5791
S'C=CC(CCC=C(CCC=C(CCC=C(C)C)C)C)(C)O'
p5792
sS'CPD-8849'
p5793
S'CC(C)=CCCC1(C)(C2(CC1C(C)=CC2))'
p5794
sS'CPD-11495'
p5795
S'C(=O)([O-])CC1(=CC=CC=C(O)1)'
p5796
sS'CPD-11496'
p5797
S'COC1(=C(O)C=CC(CC([N+])C(=O)[O-])=C1)'
p5798
sS'CPD-11497'
p5799
S'COC1(=C(O)C=CC(C(O)CO)=C1)'
p5800
sS'CPD-12803'
p5801
S'C=CC(C)(C)OCC1(C(C(C(O)C(O1)OC2(C(C(C)[CH]4(C(=CC3(C2=C(C(COC(=O)C)C)CC(O)3)C)C(COC)CC4))O))OC(=O)C)O)'
p5802
sS'CIS-CIS-MUCONATE'
p5803
S'[CH]([CH]=CC([O-])=O)=[CH]C([O-])=O'
p5804
sS'CPD-1490'
p5805
S'[Sn++]'
p5806
sS'CPD-11499'
p5807
S'C([O-])(=O)C1(C=C(O)C(F)=CC=1)'
p5808
sS'CPD-1492'
p5809
S'[Be++]'
p5810
sS'CPD-17333'
p5811
S'CC2(C(=O)C1(=C(COC(=O)1)C3(C)(C=2OC4(C)([CH](C3)C5(C)([CH](CC4)C(C)(C)C(O)CC5)))))'
p5812
sS'CPD-18452'
p5813
S'CC2(C(C[CH]4(C[CH](C(C1(=CC(NC(N1)=O)=O))O)N=C3(NC[CH]2N34)))OS(O)(=O)=O)'
p5814
sS'CPD-12905'
p5815
S'CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p5816
sS'CPD-17332'
p5817
S'CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p5818
sS'CPD-411'
p5819
S'C(CCCNC(=O)C=CC1(C=CC(=C(C=1)O)O))[N+]'
p5820
sS'CPD-412'
p5821
S'C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=CC=2)'
p5822
sS'CPD-413'
p5823
S'COC1(C(O)=CC=C(C=1)C=CC(=O)OC(C(=O)[O-])C(O)C(O)C(O)C(=O)[O-])'
p5824
sS'CPD-414'
p5825
S'CC(NC1(C(CC(OC1C(O)C(O)CO)(C([O-])=O)O)OC(C)=O))=O'
p5826
sS'CPD-12804'
p5827
S'C=CC(C)(C)OCC1(C(C(C(O)C(O1)OC2(C(C(C)[CH]4(C(=CC3(C2=C(C(C)C)CC(O)3)C)C(COC)CC4))O))O)O)'
p5828
sS'CPD-416'
p5829
S'COC1(C(=CC=C(C=1)C=CC(OC2(C(CC(CC2O)(C([O-])=O)O)O))=O)O)'
p5830
sS'CPD-417'
p5831
S'CC(OCC(C4(CCC3(C2(CCC1(=CC(=O)CCC1(C2C(CC34C)O)C))))O)=O)=O'
p5832
sS'CPD-418'
p5833
S'C1(SC(CS(=O)(=O)[O-])NC1C(=O)[O-])'
p5834
sS'CPD-419'
p5835
S'CCCCCCCCCCCCCCCC(OC(CC([O-])=O)C[N+](C)(C)C)=O'
p5836
sS'CPD-12805'
p5837
S'CC(C)C1(CCC3(C)(C=1CCC(C)[CH]2(CCC(C)=C2C3)))'
p5838
sS'CPD-12909'
p5839
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C([O-])=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p5840
sS'CPD-17336'
p5841
S'CC5(C)([CH]4(CCC36(CC2(C)(C(=O)[CH]1(C(COC(=O)1)(C(C)(C(=O)2)C[CH]3C(C)4C=CC(=O)5)6)))))'
p5842
sS'CPD-17335'
p5843
S'CC2(C(=O)C1(=C(COC(=O)1)C3(C)(C=2OC4(C)([CH](C3)C5(C)([CH](CC4)C(C)(C)C(=O)C=C5)))))'
p5844
sS'UDP-D-XYLULOSE'
p5845
S'C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C(=O)CO'
p5846
sS'CPD-16561'
p5847
S'CC9(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C8(C(C=3)=C([O-])C=C(OC7(OC(COC(=O)C6(C=CC(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))=CC=6))C(O)C(O)C(O)7))C=8))))O9)'
p5848
sS'CPD-16560'
p5849
S'CC8(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C7(C(C=3)=C([O-])C=C(OC6(OC(COC(=O)C5(C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=CC=5))C(O)C(O)C(O)6))C=7))))O8)'
p5850
sS'CPD-16563'
p5851
S'C(NC(=[N+])N)CC(O)C([N+])C([O-])=O'
p5852
sS'CPD-16562'
p5853
S'C([N+])C1(CCCCC1)CC([O-])=O'
p5854
sS'CPD-16565'
p5855
S'CC(O)[CH]1(C(O)C(O)C(O1)O)'
p5856
sS'CPD-16566'
p5857
S'CC(O)C(O)C(O)C(=O)CO'
p5858
sS'CPD-16568'
p5859
S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p5860
sS'CPD-17339'
p5861
S'CC6(OC(=O)C=CC4(C)([CH](CCC35(CC2(C)(C(O)[CH]1(C(COC(=O)1)(C(C)(C(=O)2)C[CH]34)5))))6))(C)'
p5862
sS'CPD-12671'
p5863
S'C(Cl)C(O)C(O)C(O)C=O'
p5864
sS'1016-DIHYDROXYPALMITATE'
p5865
S'C(CCCCCC(O)CCCCCCCCC([O-])=O)O'
p5866
sS'CPD0-1415'
p5867
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(OP(=O)([O-])OP(=O)([O-])[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p5868
sS'N-BUTYLATE'
p5869
S'CCSC(=O)N(CC(C)C)CC(C)C'
p5870
sS'CPD0-1413'
p5871
S'C=CC[N+]4(C3(CC1(C=CC(O)=CC=1C2(CCCCC23)(CC4))))'
p5872
sS'CPD-12674'
p5873
S'CC23(C(C(NC(C(O)[CH]1(C=CCCC1))(C(=O)O2)3)=O)CCCl)'
p5874
sS'CPD-12677'
p5875
S'C(Cl)C1(C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p5876
sS'CPD0-1410'
p5877
S'C(C3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)OP(=O)([O-])OP(=O)([O-])O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-]'
p5878
sS'CPD-12679'
p5879
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCl)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p5880
sS'CPD-1111'
p5881
S'C(C(C(C(COP(OP(OCC1(OC(C(C1O)O)N2(C(N=C(C=C2)N)=O)))(=O)[O-])(=O)[O-])O)O)O)O'
p5882
sS'CPD66-102'
p5883
S'CC(C)=CC(NCC(=O)[O-])=O'
p5884
sS'CPD-1110'
p5885
S'CC2(=CN(C1(CC(C(O1)COP(OP([O-])([O-])=O)([O-])=O)O))C(N=C2N)=O)'
p5886
sS'2-AMINO-ETCETERA-DIHYDROXYPTERIDINE'
p5887
S'CC(=O)C(=O)C1(C(N(O)C2(=NC(=NC(=O)[C-](N=1)2)N))O)'
p5888
sS'CPD-8718'
p5889
S'CC5(C(OC(=O)C(O)C(NC(=O)C1(C=CC=CC=1))C2(=CC=CC=C2))CC4(O)(C(OC(=O)C3(C=CC=CC=3))[CH]6(C(C)(C(=O)C(OC(C)=O)C(C(C)(C)4)=5)C(O)CC7(OCC(OC(=O)C)67))))'
p5890
sS'CPD-10818'
p5891
S'C=C(CCOP(=O)([O-])[O-])C'
p5892
sS'CPD-8714'
p5893
S'CC(C3(CCC2(C1(C(C(CCC1)(CO)C)CCC=2C=3)C)))C'
p5894
sS'CPD-8715'
p5895
S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC=2C=3)C)))C'
p5896
sS'CPD-10815'
p5897
S'COP([O-])(=O)[O-]'
p5898
sS'CPD-10814'
p5899
S'C1(N(C(=O)C[N+])C(CC1)C(=O)[O-])'
p5900
sS'CPD-10813'
p5901
S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O'
p5902
sS'CPD-10812'
p5903
S'C1(NC3(N=C(N)NC(=O)C(N=C1C(O)C2(OP([O-])(=O)OC2))=3))'
p5904
sS'CPD-8712'
p5905
S'CC(=C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p5906
sS'CPD-10314'
p5907
S'CC(=O)NC3(C(NC(=O)C)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C(=O)[O-])C(O)3)'
p5908
sS'4-3-PYRIDYL-BUTANOATE'
p5909
S'C1(N=CC=CC=1CCCC(=O)[O-])'
p5910
sS'CPD-14201'
p5911
S'CC(C)=CCCC(C)C1(=CC=C(C)C=C1)'
p5912
sS'CPD-9009'
p5913
S'C(COC1(C=CC(=CC=1Cl)Cl))(=O)[O-]'
p5914
sS'5-ACETAMIDOVALERATE'
p5915
S'CC(NCCCCC([O-])=O)=O'
p5916
sS'3-CARBOXY-3-HYDROXY-ISOCAPROATE'
p5917
S'CC(C(O)(CC(=O)[O-])C([O-])=O)C'
p5918
sS'CPD-10236'
p5919
S'CC2(C=CC=C(C)C(=O)NC1(C=C(O)C4(=C(C(O)=1)C([O-])=C(C)C3(OC(OC=CC(OC)C(C)C(C(C)C(O)C(C)C(O)2)OC(=O)C)(C)C(=O)C=34))))'
p5920
sS'CPD-9002'
p5921
S'CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]'
p5922
sS'CPD-9001'
p5923
S'CCCCCCCCC(O)C(OP([O-])(=O)[O-])CCCCCCCC(=O)[O-]'
p5924
sS'CPD-9000'
p5925
S'C(CCC(C([O-])=O)[N+])(NCCCC(=O)[O-])=O'
p5926
sS'CPD-9007'
p5927
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C5(OP(=O)([O-])OC(O4)5)))([O-])=O'
p5928
sS'CPD-9006'
p5929
S'C=C(C)C1(CCC(C)=CCCC(C)=CC1)'
p5930
sS'CPD-13533'
p5931
S'CCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O'
p5932
sS'CPD-9004'
p5933
S'C(C1(C(O)C(O)C(O)C(O)O1))OC2(C(O)C(CO)(O)CO2)'
p5934
sS'L-ERYTHRO-4-HYDROXY-GLUTAMATE'
p5935
S'C([O-])(C(CC(O)C([O-])=O)[N+])=O'
p5936
sS'CPDQT-273'
p5937
S'C=CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p5938
sS'CPD-16775'
p5939
S'CN(C)C(=O)NC1(=CC(Cl)=C(Cl)C=C1)'
p5940
sS'CPDQT-274'
p5941
S'C(O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p5942
sS'CPDQT-277'
p5943
S'CSCCCCCCCCC([N+])C(=O)[O-]'
p5944
sS'CPD-17445'
p5945
S'CSS(=O)C'
p5946
sS'5-10-METHENYL-THF'
p5947
S'C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O))C[CH]34)))'
p5948
sS'TUNGSTATE'
p5949
S'O=[W](=O)([O-])[O-]'
p5950
sS'CPD-17444'
p5951
S'C=CCSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p5952
sS'CPD-14209'
p5953
S'CC(O)C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(OC1(OCC(O)(C)C([N+]C)C(O)1))C(O)2))O3)'
p5954
sS'CPD-17111'
p5955
S'C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C=C2)C(=O)NC(CCC(NC(CCC([O-])=O)C([O-])=O)=O)C([O-])=O))C[CH]34)))'
p5956
sS'CPD-16776'
p5957
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2[O-])=C(O)C(OC)=C(O)C=3)))'
p5958
sS'CPD-17446'
p5959
S'CCSS(CC)=O'
p5960
sS'GLUCOSYL3-MANNOSYL9-N-ACETYLGLUCOSA'
p5961
S'CC(NC2(C(C(C(OC(OC1(C(C(C(OP(=O)([O-])[O-])OC1CO)NC(C)=O)O))2)CO)OC3(C(C(C(C(O3)COC4(C(C(C(C(O4)COC5(C(C(C(C(O5)CO)O)O)OC6(C(C(C(C(O6)CO)O)O)O)))O)OC7(C(C(C(C(O7)CO)O)O)OC8(C(C(C(C(O8)CO)O)O)O)))O))O)OC9(C(C(C(C(O9)CO)O)O)OC%10(C(C(C(C(O%10)CO)O)O)OC%11(C(C(C(C(O%11)CO)O)OC%12(C(C(C(C(O%12)CO)O)OC%13(C(C(C(C(O%13)CO)O)O)OC%14(C(C(C(C(O%14)CO)O)O)O)))O))O))))O))O))=O'
p5962
sS'CPD-17440'
p5963
S'CCCCS(=O)CC([N+])C(=O)[O-]'
p5964
sS'DTDP-GROUP'
p5965
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])OP(=O)([O-])O)O2))'
p5966
sS'CPD-17443'
p5967
S'C=CCSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p5968
sS'CARBAMYUL-L-ASPARTATE'
p5969
S'C(=O)([O-])CC(NC(N)=O)C([O-])=O'
p5970
sS'CPD-17114'
p5971
S'C(NC1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)C=C1))[CH]3(CNC2(=C(C(=O)NC(N)=N2)N([CH]=O)3))'
p5972
sS'2-DEOXYRIBOSE'
p5973
S'C(O)C(O)C(O)CC=O'
p5974
sS'CPD-16777'
p5975
S'COC1(=CC(=CC=C1O)C3(=C(C(C2(=C(C=C(C(=C2O3)OC)O)O))=O)[O-]))'
p5976
sS'CPD66-92'
p5977
S'CC1(C3(=C(C=CN=1)C2(C=CC=CC=2N3)))'
p5978
sS'CPD66-96'
p5979
S'C(SCCC([N+])C(=O)[O-])CC([N+])C(=O)[O-]'
p5980
sS'HYPOTAUROCYAMINE'
p5981
S'C(NC(N)=N)CS(O)=O'
p5982
sS'CPD-16770'
p5983
S'C=CC1(C)(C(C(C)=C)CC(C(C(=O)[O-])=C)CC1)'
p5984
sS'CPD-14048'
p5985
S'CSCCCCC(N(O)O)C(=O)[O-]'
p5986
sS'CPD-14049'
p5987
S'CSCCCCCC(C([O-])=O)NO'
p5988
sS'CPD-14040'
p5989
S'CSCCCCCCCC(N(O)O)C([O-])=O'
p5990
sS'CPD-14042'
p5991
S'C3(C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))=CC=C(C=3)O)'
p5992
sS'CPD-14043'
p5993
S'CSCCCC(C([O-])=O)NO'
p5994
sS'PROTOHEME'
p5995
S'C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe--]24(N(C=1C=C3(C(C)=C(C=C)C(=[N+]23)C=C5(C(C)=C(CCC(=O)[O-])C(N45)=C6)))7))8))))'
p5996
sS'CPD-14046'
p5997
S'CSCCCC(C([O-])=O)N(O)O'
p5998
sS'CPD-14047'
p5999
S'CSCCCCC(NO)C(=O)[O-]'
p6000
sS'CPD-6862'
p6001
S'CC1(OC(=O)C=C([O-])C=1)'
p6002
sS'CPD-8478'
p6003
S'CCCCCCCCC=CCC=CCCCCC([O-])=O'
p6004
sS'N3-OXALYL-L-23-DIAMINOPROPANOATE'
p6005
S'C(NC(=O)C([O-])=O)C([N+])C([O-])=O'
p6006
sS'CHLORAMPHENICOL-3-ACETATE'
p6007
S'CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1(=CC=C(C=C1)[N+]([O-])=O)'
p6008
sS'CPD-3569'
p6009
S'C([N+])C(=O)NC(CCC(=O)[O-])C([O-])=O'
p6010
sS'CPD-3566'
p6011
S'CCCCCCCCCCCC(=O)OCCOCC(C1(C(C(CO1)OCCO)OCCO))OCCO'
p6012
sS'CPD-3567'
p6013
S'CCCCCCCCCCCCCCCC(=O)OCCC(C)C1(C(C)C(C)CO1)'
p6014
sS'CPD-3564'
p6015
S'CCC(O)C(=O)[O-]'
p6016
sS'CPD-3563'
p6017
S'CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1(C(C(CO1)OCCO)OCCO))OCCO'
p6018
sS'CPD-3561'
p6019
S'C(O)C2(OC(OC1(C(CO)OC(O)(CO)C(O)1))C(O)C(O)C(O)2)'
p6020
sS'CPD-13237'
p6021
S'C(C(C(C(C(CO)O)OC1(C(C(C(C(CO)O1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)OC4(C(C(C(C(CO)O4)O)O)O))O)O))O)O))O)O))O)O)=O'
p6022
sS'CPD-13234'
p6023
S'C1(=C(C=CC(=C1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)OC4(C(C(C(C(CO)O4)OC5(C(C(C(C(CO)O5)OC6(C(C(C(C(CO)O6)O)O)O))O)O))O)O))O)O))O)O))[N+]([O-])=O)'
p6024
sS'MALTOTRIOSE'
p6025
S'C(C1(OC(C(C(C1O)O)O)OC2(C(OC(C(C2O)O)OC3(C(OC(C(C3O)O)O)CO))CO)))O'
p6026
sS'CPD-13233'
p6027
S'C1(=C(C=CC(=C1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)OC4(C(C(C(C(CO)O4)OC5(C(C(C(C(CO)O5)O)O)O))O)O))O)O))O)O))[N+]([O-])=O)'
p6028
sS'CPD-13230'
p6029
S'CC=CCO'
p6030
sS'CPD-18431'
p6031
S'C12678([Fe]5%13(S4([Fe]91(S3([Fe]2(S([Fe]34)5)S[Fe]%126(S%11([Fe]7(S%10([Fe]8(S9)S([Mo----](O)(O)%10%11)%12))S%13)))))))'
p6032
sS'CPD-13238'
p6033
S'C(C(C(C(C(CO)O)OC1(C(C(C(C(CO)O1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)OC4(C(C(C(C(CO)O4)OC5(C(C(C(C(CO)O5)O)O)O))O)O))O)O))O)O))O)O))O)O)=O'
p6034
sS'CPD-18211'
p6035
S'CC2(C1(C(=O)C3(C(OC=1C=C([O-])C=2)=C(O)C4(C(=O)C([O-])=CC(=O)C(C(O)=3)=4))))'
p6036
sS'CPD-18210'
p6037
S'CC2(C1(C(=O)C3(C(OC=1C=C(O)C=2)=CC4(C(O)=C(O)C=C(O)C(C(O)=3)=4))))'
p6038
sS'CPD-18213'
p6039
S'CC2(C1(C(=O)C3(C(OC=1C=C([O-])C=2)=CC4(C(=O)C([O-])=CC(=O)C(C(O)=3)=4))))'
p6040
sS'CPD-14959'
p6041
S'O=[Se]=O'
p6042
sS'CPD-14228'
p6043
S'C=CCCCCCCCCCCCCCC'
p6044
sS'CPD-18214'
p6045
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(C(C4(C(C)(C(C)(O2)O3)O4))=O))'
p6046
sS'CPD-18217'
p6047
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(CC=C(C)C(C)(O2)O3))'
p6048
sS'CPD-18216'
p6049
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(C(C4(C(CO)(C(C)(O2)O3)O4))=O))'
p6050
sS'QUESTIN'
p6051
S'CC3(C=C(C1(=C(C(C2(=C(C(=O)1)C(=CC(=C2)[O-])OC))=O)C=3))O)'
p6052
sS'CPD-18218'
p6053
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(C(=O)C=C(C)C(C)(O2)O3))'
p6054
sS'CPD-14950'
p6055
S'COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))'
p6056
sS'CPD-14227'
p6057
S'C=CCCCCCCCCCCCCC'
p6058
sS'CPD-14220'
p6059
S'C=CCCCCCCCCCCCCCCCCC'
p6060
sS'CPD-14221'
p6061
S'C=CCCCCCCCCCCCCCCCC(C)C'
p6062
sS'CPD-14222'
p6063
S'C=CCCCCCCCCCCCCCCC(C)CC'
p6064
sS'CPD-14223'
p6065
S'C=CCCCCCCCCCCCCCCC'
p6066
sS'CPD0-1454'
p6067
S'C(P(O)([O-])=O)C(=O)NCC([N+])C(=O)[O-]'
p6068
sS'PROPIONYL-P'
p6069
S'CCC(OP([O-])([O-])=O)=O'
p6070
sS'CPD-18430'
p6071
S'CC2(CCC1(C)(C4(C(OC(=O)C=CC=CC=CC(=O)[O-])CC(OC1C=2)C3(OC3)4)(C)))'
p6072
sS'MORPHINONE'
p6073
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)=O)O))(CC5))))'
p6074
sS'INDOLE-HYDROXYMETHYL-S-CYSTEINE-ADDUCT'
p6075
S'C(=O)([O-])C([N+])CSC(C1(=CNC2(C=CC=CC1=2)))O'
p6076
sS'CPD-5804'
p6077
S'C(C1(C(O)C(C(O)C(O1)OC(=O)C2(=CC=C(N)C=C2))O))O'
p6078
sS'CPD-5802'
p6079
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)OC2(OC(COP([O-])(=O)OCC(O)CO)C(O)C(O)C(NC(=O)C)2))O)NC(C)=O))C)C)C)C)C)C)C'
p6080
sS'CPD-15955'
p6081
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))COC3(OC(C(O)C(OC)C(OC)3)C))'
p6082
sS'SELENOLIPOATE'
p6083
S'C(CCC(=O)[O-])CC1(CC[Se][Se]1)'
p6084
sS'CPD-12575'
p6085
S'C(O)C1(C(O)C(O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))'
p6086
sS'CPD-15485'
p6087
S'COC2(C=CC3(C(=O)C=C(C1(C=CC=CC=1))OC(C(OC)=2)=3))'
p6088
sS'CPD0-1251'
p6089
S'C(NC1(C=CC(C(=O)[O-])=CC=1))CC2(=NC3(=C(NC2)NC(N)=NC(=O)3))'
p6090
sS'CPD0-1250'
p6091
S'C2(=C(Cl)C1(=NON=C1C([N+](=O)[O-])=C2))'
p6092
sS'CPD-15799'
p6093
S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)O)))'
p6094
sS'CPD-15798'
p6095
S'COC3(=C(OC)C=CC(CC1([N+]CCC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p6096
sS'CPD0-1255'
p6097
S'CN(C1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))CC3(CNC2(=C(C(=O)NC(N)=N2)N3))'
p6098
sS'CPD-8164'
p6099
S'CCC=CCC=CCC=CCCCCCCCC(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))COC(=O)CCCCCCCCCCCCCCC)=O'
p6100
sS'6-PYRUVOYL-5678-TETRAHYDROPTERIN'
p6101
S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p6102
sS'CPD-15792'
p6103
S'CC5(C(O)C([N+])CC(OC4(C3(=C(C2(C(C1(C(=CC=CC=1C(C=2C=C3CC(C(=O)C)(C4)O)=O)O))=O))O)))O5)'
p6104
sS'CPD-15791'
p6105
S'CC1(C(O)C([N+])CC(O1)OC2(CC(O)(C(=O)C)CC4(=C2C(O)=C3(C(=O)C5(C(OC)=CC=CC(C(=O)C3=C4)=5)))))'
p6106
sS'CPD-15790'
p6107
S'C(=O)C1(=C(C=O)C=CC=C1)'
p6108
sS'CPD-15797'
p6109
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C([O-])=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p6110
sS'3-ALPHA-HYDROXYGLYCYRRHETINATE'
p6111
S'CC5(C(CCC2(C(CCC3(C)(C4(C)(CCC1(CCC(C)(C([O-])=O)CC1C(=CC(=O)C23)4)(C))))5)(C))O)(C)'
p6112
sS'CPD-15953'
p6113
S'CC(CCC=C(C)CO)=CCO'
p6114
sS'BETA-ALANINE-METHYL-ESTER'
p6115
S'COC(=O)CC[N+]'
p6116
sS'CPD-15480'
p6117
S'C1(C=C(O)C=CC=1C2(OC3(C(O)=C(O)C=CC(C(=O)C=2)=3)))'
p6118
sS'BIS2-ETHYLHEXYLPHTHALATE'
p6119
S'CCCCC(CC)COC(C1(C=CC=CC(C(=O)OCC(CC)CCCC)=1))=O'
p6120
sS'CPD-6627'
p6121
S'CON2(C(=O)C(OC1(=CC=CC=C12))OC3(OC(CO)C(O)C(O)C(O)3))'
p6122
sS'TRANS-23-DEHYDROADIPYL-COA'
p6123
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C=CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p6124
sS'CPD-15257'
p6125
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OCC([N+])C(=O)[O-])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p6126
sS'L-23-DIAMINOPROPANOATE'
p6127
S'C(=O)([O-])C([N+])C[N+]'
p6128
sS'CPD0-2500'
p6129
S'C(O)C2(C(O)C(O)C(O)C(OC1(=CC=C(C=C1)[N+]([O-])=O))O2)'
p6130
sS'CPD0-2501'
p6131
S'CC(=O)NC1(C(O)C(C(COP([O-])(=O)[O-])OC1OC2(C(O)C(C(O)OC(CO)2)[N+]))O)'
p6132
sS'ENTEROBACTIN'
p6133
S'C3(OC(C(NC(C1(C(O)=C(C=CC=1)O))=O)COC(=O)C(COC(C(NC(C2(C=CC=C(C=2O)O))=O)3)=O)NC(=O)C4(C(=C(C=CC=4)O)O))=O)'
p6134
sS'CPD-15579'
p6135
S'NS([O-])(=O)=O'
p6136
sS'CPD-15576'
p6137
S'CC7(C)(CCC8(C(=O)OC1(C(C(C(C(CO)O1)O)O)O))(CCC2(C)(C(=CC[CH]3(C4(C)(CCC(C(C)(C)[CH](CCC(C)23)4)OC5(C(C(C(C(C(=O)[O-])O5)O)O)OC6(C(C(C(C(CO)O6)O)O)O)))))[CH](C7)8)))'
p6138
sS'CPD-15572'
p6139
S'C1(OC(=O)C(C1)NC(=O)C=CC2(=CC=C(O)C=C2))'
p6140
sS'CPD-15570'
p6141
S'CC(C)CC(=O)NC1(CCOC(=O)1)'
p6142
sS'CMP-GROUP'
p6143
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP(O)([O-])=O'
p6144
sS'CPD-7099'
p6145
S'CC2(CC(C)C(=O)[CH](C(O)CC1(CC(NC(=O)C1)=O))C2)'
p6146
sS'CPD-7092'
p6147
S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)=O)C))C'
p6148
sS'CPD-7093'
p6149
S'C=CC2(CC[CH]3(C1(CCC(C([CH]1CC(C(=C2)3)=O)(C)C)O)C))C'
p6150
sS'CPD-7090'
p6151
S'C1(C(O)=C(O)C(O)=CC=1C2(C([O-])=CC3(=C([O+]=2)C=C(O)C=C([O-])3)))'
p6152
sS'CPD-7096'
p6153
S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2)[O-])O)))=CC=C(C=3)O)'
p6154
sS'CPD-7097'
p6155
S'C=CC1(CC[CH]2(C3(CCCC(C)(C)[CH](CCC(=C1)2)3)C))C'
p6156
sS'CPD-7094'
p6157
S'C=CC3(C(C)C2(C(C1(CC(O)C(C(C1CC2)(C)C)=O)(C))C(C=3)=O))'
p6158
sS'INDOLE-TETRAHYDRO-THIAZOLE'
p6159
S'C([O-])(=O)C3(NC(C1(=CNC2(=C1C=CC=C2)))SC3)'
p6160
sS'DEOXYADENOSINE'
p6161
S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p6162
sS'UDP-D-GALACTO-14-FURANOSE'
p6163
S'C(OP(=O)([O-])OP(=O)([O-])OC1(O[CH](C(O)CO)C(O)C(O)1))C2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3))'
p6164
sS'CIT'
p6165
S'C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]'
p6166
sS'FLAVONOL-3-O-L-RHAMNOSYLGLUCOSIDE'
p6167
S'CC5(OC(OCC4(OC(OC2(C(=O)C3(=CC=C(O)C=C(OC(C1(=CC=C(O)C(O)=C1))2)3)))C(O)C(O)C(O)4))C(O)C(O)C(O)5)'
p6168
sS'CPD-18334'
p6169
S'C([O-])(=O)C1(C(=O)C2(=C(C(=O)C=1)C=CC=C2))'
p6170
sS'OXONIUM'
p6171
S'[O+]'
p6172
sS'CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO'
p6173
S'C2(C=CC3(SC1(C=CC(O)C(O)C=1C(C=2)=3)))'
p6174
sS'T2-DECENOYL-COA'
p6175
S'CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p6176
sS'DAP'
p6177
S'C1(C=C(N)[N+]=C(N)C=1)'
p6178
sS'ALA-GLY'
p6179
S'CC([N+])C(NCC([O-])=O)=O'
p6180
sS'SQUALENE'
p6181
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p6182
sS'NOREPINEPHRINE'
p6183
S'C1(C=C(O)C(=CC=1C(C[N+])O)O)'
p6184
sS'S-3-HYDROXYBUTANOYL-COA'
p6185
S'CC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p6186
sS'ADENOSYLCOBALAMIN'
p6187
S'CC%15(C=C%13(C(N%12(C%14(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C5(C=C8(C(C)(C)C(CCC(N)=O)C7(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))'
p6188
sS'3-HYDROXY-ETCETERA-CARBOXYLATE'
p6189
S'CC1(=NC=C(C(CO)=C(O)1)C([O-])=O)'
p6190
sS'DIHYDROXYPENTANEDIONE'
p6191
S'CC(C(C(CO)O)=O)=O'
p6192
sS'SCOPOLIN'
p6193
S'COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))'
p6194
sS'10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH'
p6195
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p6196
sS'CPD-205'
p6197
S'C([O-])(=O)CCCCCC([O-])=O'
p6198
sS'CPD-9083'
p6199
S'CC6(=C7(C(C([CH]8(C2(N1([Co+]5(N3(C(=C(C)C=1C(CCC(N)=O)C(CC(=O)N)(C)2)C(C(CCC(=O)N)C=3C=C4(C(C)(C)C(CCC(=O)N)C(=N45)6))(CC(=O)N)C))N78))C))CC(=O)N)(C)CCC(=O)O))'
p6200
sS'CPD-207'
p6201
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p6202
sS'CPD-206'
p6203
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6204
sS'CPD-201'
p6205
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(O)C=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p6206
sS'CPD-203'
p6207
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCC1(SC[CH]2(NC(=O)N[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p6208
sS'CPD-202'
p6209
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p6210
sS'L-CARNITINYL-COA'
p6211
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p6212
sS'CPD-209'
p6213
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C([O-])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP(OP(OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)'
p6214
sS'CPD-208'
p6215
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C([O-])=O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p6216
sS'CPD-18490'
p6217
S'CCCCCC=CCC=CCC=CCC=CCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6218
sS'CPD-5242'
p6219
S'CC(C)CC=CC(NC3(C(C(C(CC(C2(C(C(C(N1(C=CC(NC1=O)=O))O2)O)O))O)OC3OC4(C(C(C(C(CO)O4)O)O)NC(C)=O))O)O))=O'
p6220
sS'LIMONIN'
p6221
S'CC4(C)(O[CH]1(CC(=O)OCC51([CH]6(CCC3(C)(C(OC(=O)C2(OC23C(C)(C(=O)C[CH]45)6))C7(=COC=C7))))))'
p6222
sS'CPD-1003'
p6223
S'CC(C1(C=CC(C=O)=CC=1))C'
p6224
sS'CPD-1002'
p6225
S'CC(C1(C=CC(CO)=CC=1))C'
p6226
sS'CPD-1001'
p6227
S'CC(C1(C=CC(C)=CC=1))C'
p6228
sS'HYPOTAURINE'
p6229
S'C([N+])CS([O-])=O'
p6230
sS'CPD-1007'
p6231
S'CC(C)C(=O)C=CC(C(=O)[O-])=C(O)C([O-])=O'
p6232
sS'CPD-1006'
p6233
S'CC(C)C1(C=CC(C(=O)[O-])=C(C=1O)O)'
p6234
sS'CPD-16178'
p6235
S'C(=CC1(C=CC(=CC=1)O))N'
p6236
sS'CPD-1004'
p6237
S'CC(C1(C=CC(C([O-])=O)=CC=1))C'
p6238
sS'CPD-16176'
p6239
S'C[N+]C=CC1(C=CC(O)=CC=1)'
p6240
sS'CPD-16177'
p6241
S'C[N+]=CCC1(C=CC(O)=CC=1)'
p6242
sS'CPD-16174'
p6243
S'C2(C=C1(C(C=CN1)=CC(O)=2))'
p6244
sS'CPD-16175'
p6245
S'C1(C=C(C(=O)[O-])C3(=C(C=1)OC2(=CC(C(=C(C([O-])=O)C2=N3)N)=O)))'
p6246
sS'CPD-16172'
p6247
S'C(C1(C(=CC=CC=1)N))=O'
p6248
sS'CPD-16173'
p6249
S'C1(ON=C2(C=1C=CC=C2))'
p6250
sS'CPD-16171'
p6251
S'CCCCCC=CC[CH]1(O[CH]1C(O)C=CCC=CCCCC([O-])=O)'
p6252
sS'CPD-17553'
p6253
S'CC1(C(C(C(C(OC)O1)O)O)NC2(C=C(CO)C(C(C2O)O)O))'
p6254
sS'CPD-17552'
p6255
S'C(=O)([O-])C(=O)C=C1(C2(OC(C(O)CC1)2))'
p6256
sS'CPD-17223'
p6257
S'CC=C1(C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C[CH]3(C(C)=C(C=C)C(=O)N3)))N4))=O)'
p6258
sS'CPD-17550'
p6259
S'COC4(C=CC2(=C(OC[CH]3(C1(C(=CC(=CC=1)OC)O[CH]23)))C=4))'
p6260
sS'CPD-17557'
p6261
S'C(=O)([O-])C([N+])CC1(CCC(=O)C=C1)'
p6262
sS'CPD-17556'
p6263
S'C(=O)([O-])C([N+])CC1(CCC(O)C=C1)'
p6264
sS'CPD-17227'
p6265
S'C=CC1(=C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C=C3(C(C)=C(CC)C(=O)N3)))N4))=O)'
p6266
sS'CPD-17226'
p6267
S'C=CC1(=C(C)C(N[CH]1CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C=C3(C(C)=C(CC)C(=O)N3)))N4))=O)'
p6268
sS'CPD-17229'
p6269
S'C1(C=CC(N=1)=CC2(=CC=C(N2)C=C3(N=C(C=C3)C=C4(N=CC=C4))))'
p6270
sS'CPD-17228'
p6271
S'C1(=CC=C(N1)C=C2(C=CC(=N2)C=C3(N=C(C=C3)C=C4(N=CC=C4))))'
p6272
sS'CPD-8033'
p6273
S'C(C5(OC(OC1(C=C2(OC(=C(C(C(=C(C=1)O)2)=O)OC3(C(C(C(C(O3)CO)O)O)O))C4(C=C(C(=CC=4)O)O))))C(C(C5O)O)O))O'
p6274
sS'CPD-8034'
p6275
S'C(C5(OC(OC1(C=C2(OC(=C(C(C(=C(C=1)O)2)=O)OC3(C(C(C(C(O3)CO)O)O)O))C4(C=CC(=CC=4)O))))C(C(C5O)O)O))O'
p6276
sS'L-THREONINE-O-3-PHOSPHATE'
p6277
S'CC(OP([O-])([O-])=O)C([N+])C([O-])=O'
p6278
sS'CPD-8525'
p6279
S'C(OP([O-])(=O)[O-])C(NC(=O)[R])C(=O)N[R]'
p6280
sS'CPD-8524'
p6281
S'C(=O)(O)C(NC(=O)N)C1(C=CC=CC=1)'
p6282
sS'CPD-8529'
p6283
S'C(SSC([R2])[R1])([R4])[R3]'
p6284
sS'CPD-11680'
p6285
S'C=CC9(C5(N8([Fe--]136(OC(=O)CCC%17(=C(C%15(=[N+]%16([Fe--]%11%13(OC(=O)CCC2(=C(N1C(=C2C)C=C4([N+]3=C(C(=C4C=C)C)C=5))C=C7([N+]6=C(C(=C7CCC(=O)[O-])C)C=C8C=9C)))(N%10(C(=C(C(=C%10C=C%12([N+]%11=C(C(=C%12C=C)C)C=C%14(N%13C(C(=C%14C=C)C)=C%15)))C)CCC(=O)[O-])C=C%16%17)))))C)))))'
p6286
sS'12-DIBROMOETHANE'
p6287
S'C(CBr)Br'
p6288
sS'CPD-11685'
p6289
S'C(O)C4(OC(OC1(=CC=C(C=C(O)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3))))C(O)C(O)C(O)4)'
p6290
sS'CPD-11688'
p6291
S'CC1(=CC2(=C(C(O)=C1)C(O)=CC=C2))'
p6292
sS'CPD-14739'
p6293
S'C(OC1(OC(C(O)C(O)C(O)1)COC2(OCC(O)(CO)C(O)2)))C3(C=CC=CC=3)'
p6294
sS'CPD0-1889'
p6295
S'CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p6296
sS'CPD0-1884'
p6297
S'C(OP(CC(C(CCC(=O)O)N)=O)(=O)O)C3(C(C(C(N2(C1(C(=C(N=CN=1)N)N=C2)))O3)O)O)'
p6298
sS'CPD0-1885'
p6299
S'C(O)CSSCCO'
p6300
sS'CPD-17126'
p6301
S'CCCCCCC=CCC(=O)[O-]'
p6302
sS'2-DEHYDRO-3-DEOXY-D-FUCONATE'
p6303
S'CC(O)C(O)C(O)=CC(=O)[O-]'
p6304
sS'CPD0-1882'
p6305
S'C6(=CC(N)=NC(=O)N(C1(OC(C(C1O)O)COP([O-])(=O)OP([O-])(=O)OCC3(O[CH]2(NC5(N=C(NC(=O)C(N[CH]2C4(=C3S[Mo](=O)(=O)S4))=5)N)))))6)'
p6306
sS'CPD0-1883'
p6307
S'C(OS(NC(C(N)CCC(=O)O)=O)(=O)=O)C3(C(C(C(N2(C1(C(=C(N=CN=1)N)N=C2)))O3)O)O)'
p6308
sS'QH2'
p6309
S'CC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(OC)=C(O)1)'
p6310
sS'MESACONATE'
p6311
S'CC(C([O-])=O)=CC([O-])=O'
p6312
sS'CPD-9755'
p6313
S'C(=O)C(C(C(C(COP([O-])(=O)[O-])O)O)O)O'
p6314
sS'BIOTIN'
p6315
S'C1(SC(CCCCC(=O)[O-])[CH]2(NC(=O)N[CH]12))'
p6316
sS'1235-TETRAHYDROXYBENZENE'
p6317
S'C1(C(O)=CC(O)=C(C=1O)O)'
p6318
sS'1-O-SINAPOYL-BETA-D-GLUCOSE'
p6319
S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p6320
sS'Me-CoM'
p6321
S'CSCCS(=O)(=O)[O-]'
p6322
sS'PICOLINATE'
p6323
S'C1(=CC=CC(=N1)C([O-])=O)'
p6324
sS'CPD-16799'
p6325
S'CC([CH]1(NC2(C(NC(=NC(NC(C)1)=2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(CO)O3)O)O))O)O)O)C=C4)'
p6326
sS'CPD-16792'
p6327
S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p6328
sS'CPD-16793'
p6329
S'C(=O)([O-])C(=O)C=CCP(=O)([O-])O'
p6330
sS'CPD-16790'
p6331
S'C(=O)([O-])C([N+])C=CCP([O-])(=O)O'
p6332
sS'CPD-16791'
p6333
S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p6334
sS'CPD-16796'
p6335
S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p6336
sS'CPD-16797'
p6337
S'C(=O)([O-])C([N+])CCCP(=O)([O-])O'
p6338
sS'CPD-16794'
p6339
S'C(=O)([O-])C([N+])CC(O)CP(=O)([O-])O'
p6340
sS'CPD-16795'
p6341
S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p6342
sS'3-SULFINYL-PYRUVATE'
p6343
S'C(S([O-])=O)C(=O)C(=O)[O-]'
p6344
sS'THMPT'
p6345
S'CC([CH]1(C(C)NC2(=C(N1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p6346
sS'CPD-12083'
p6347
S'CCC(C(C(=O)NC(C(=O)N1(CCCC1C(=O)O))CC2(N=CNC=2))NC(=O)C(CC3(C=CC(O)=CC=3))NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N)C(C)C)C'
p6348
sS'3-METHYLTHIOPROPYL-GLUCOSINOLATE'
p6349
S'CSCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p6350
sS'10-DESACETYLTAXUYUNNANIN-C'
p6351
S'CC1(CC(OC(C)=O)C2(C(OC(C)=O)C3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p6352
sS'CPD-12084'
p6353
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C4(C=CC=CC(O)=4))=O)([O-])=O'
p6354
sS'CPD-12085'
p6355
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)C(CS)N'
p6356
sS'2-HYDROXYFORMONONETIN'
p6357
S'COC3(=CC(O)=C(C2(C(C1(=C(C=C(C=C1)O)OC=2))=O))C=C3)'
p6358
sS'1-HYDROXYALKYL-SN-GLYCEROL'
p6359
S'C(O)C(O)C(O)O[R]'
p6360
sS'CPD0-1763'
p6361
S'CCCCCCCC(=O)OCC(C(O)(C)C)OC(=O)CCCCCCC'
p6362
sS'CPD-10790'
p6363
S'C[N+]C4(CC([N+])C(OP(=O)([O-])[O-])C(OC2(OC(CO)C(O)C3(OC1(OC(C([N+])CO)C(O)C(O)C(O)1)(OC23))))C(O)4)'
p6364
sS'CPD-7879'
p6365
S'CCCCCCCCCCCCCCCCCCCCC[CH]=O'
p6366
sS'CPD-10792'
p6367
S'CC(=O)C(O)C(O)CC([N+])C([O-])=O'
p6368
sS'CPD-10793'
p6369
S'[CH](=O)C(=O)COP(=O)([O-])[O-]'
p6370
sS'CPD-10794'
p6371
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP([O-])(=O)OCC4(C(O)C(O)C(O4)OP(=O)([O-])[O-]))(=O)[O-]'
p6372
sS'CPD-10024'
p6373
S'CC(S)CC1(C(=O)NC(=O)N1)'
p6374
sS'CPD-10797'
p6375
S'C(C=CC1(C=C(O)C=CC=1))(=O)[O-]'
p6376
sS'CPD-7870'
p6377
S'C(O)C5(OC(OC1(C(O)=C(O)C=C(C=1)C3(C(OC2(C(O)C(O)C(O)C(COC(CC(=O)[O-])=O)O2))=CC4(C([O+]=3)=CC(O)=CC([O-])=4))))C(O)C(O)C(O)5)'
p6378
sS'CPD-7871'
p6379
S'CCCCCCCCCCCCCCCCCCCCCCCCCCO'
p6380
sS'CPD-7872'
p6381
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p6382
sS'CPD-7873'
p6383
S'CCCCCCCCCCCCCCCCCCO'
p6384
sS'CPD-7874'
p6385
S'CCCCCCCCCCCCCCCCCCCCCCCCO'
p6386
sS'CPD-7875'
p6387
S'CCCCCCCCCCCCCCO'
p6388
sS'PHTYOSPHINGOSINE-1-P'
p6389
S'CCCCCCCCCCCCCCC(O)C(C(COP([O-])(=O)[O-])[N+])O'
p6390
sS'CPD-7877'
p6391
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p6392
sS'N-CARBAMOYL-P-HYDROXY-D-PHENYLGLYCINE'
p6393
S'C(C(C1(C=CC(=CC=1)O))NC(=O)N)([O-])=O'
p6394
sS'CPD-12331'
p6395
S'C=C3(C2(CC[CH]4(C15(CCCC([CH]1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O))))'
p6396
sS'CPD-12332'
p6397
S'C=C3(C2(CCC4(C15(CCC(C(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)O))))'
p6398
sS'2346-TETRAHYDROXYBENZOPHENONE'
p6399
S'C2(=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC(=C2)O)'
p6400
sS'CPD-12334'
p6401
S'C(OP([O-])([O-])=O)C(O)[CH]1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p6402
sS'CPD-12336'
p6403
S'C(O)C(O)[CH]4(C(O)C(O)C(O)C(OP([O-])(=O)OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3))))O4)'
p6404
sS'CPD-12339'
p6405
S'C(O)C([CH]1(OC(O)C(C(C1O)O)O))O'
p6406
sS'CPD-8123'
p6407
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))'
p6408
sS'CTP'
p6409
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2))'
p6410
sS'CHLORITE'
p6411
S'Cl([O-])=O'
p6412
sS'CPD-12651'
p6413
S'C(=O)([O-])C1(C(C(=O)[O-])=CC(O)C(O)C=1)'
p6414
sS'STIPIT-CPD'
p6415
S'C(=O)(C1(=CC(=CC(=O)C([O-])=C1)O))[O-]'
p6416
sS'CPD-10246'
p6417
S'C([O-])(=O)CS(=O)(=O)[O-]'
p6418
sS'CPD-10247'
p6419
S'C(C1(OC(O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p6420
sS'CPD-10244'
p6421
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p6422
sS'CPD-10242'
p6423
S'CC1(C(O)C(C)C(C(C(C(C)C(O)C(C)C=C(C)C(=O)C3(C2(C(=O)C=C(NC(=O)C(=CC=C1)C)C(=O)C=2C(O)=C(C)C([O-])=3)))O)C)O)'
p6424
sS'CPD-10243'
p6425
S'CC1(C(O)C(C)C(C(C(C(C)C(O)C(CO)C=C(C)C(=O)C3(C2(C(=O)C=C(NC(=O)C(=CC=C1)C)C(=O)C=2C(O)=C(C)C([O-])=3)))O)C)O)'
p6426
sS'5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP'
p6427
S'CC(=O)OCC(C#CC1(=CC=C(S1)C2(=CC=CS2)))OC(C)=O'
p6428
sS'CPD-10241'
p6429
S'CC1(C(O)C(C)C(C(C(C(C)C(O)C(C)C=C(C)C(=O)C3(C2(C(=O)C=C(NC(=O)C(=CC=C1)C)C(=O)C=2C(O)C(C)C([O-])=3)))O)C)O)'
p6430
sS'CPD-15001'
p6431
S'CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC4(C(C3(C=C(O)C(O)=CC=3))=[O+]C5(C(C=4)=C([O-])C=C(O)C=5))))'
p6432
sS'CPD-4523'
p6433
S'C1(CCCC[N+]1CCOC2(=CC=C(C=C2)C(C5(C3(=CC=C(C=C3SC(C4(=CC=C(C=C4)O))=5)O)))=O))'
p6434
sS'CPD-4522'
p6435
S'CC[N+](CC)CCOC1(=CC=C(C=C1)C(CC2(=CC=C(C=C2)Cl))(C3(=CC=C(C)C=C3))O)'
p6436
sS'CPD-4521'
p6437
S'C(C1(CCC(CC1)C[N+]CC2(C=CC=CC=2Cl)))[N+]CC3(C=CC=CC=3Cl)'
p6438
sS'CPD-15000'
p6439
S'C(OC(C=CC1(=CC=C(O)C=C1))=O)C2(C(O)C(O)C(O)C(O2)OCC4(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))C(O4)OC6(C(C5(=CC=C(O)C(O)=C5))=[O+]C7(C(C=6)=C([O-])C=C([O-])C=7))))'
p6440
sS'CPD-9806'
p6441
S'CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p6442
sS'CPD-18688'
p6443
S'CC3(C(O)C(O)C(O)C(OC2(C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))OC(C)C(O)2))O3)'
p6444
sS'CPD-723'
p6445
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))'
p6446
sS'CPD-18686'
p6447
S'CC4(C(O)C(O)C(OC)C(OC3(C(O)C(OC2(C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))OC(C)C(O)2))OC(C)C(O)3))O4)'
p6448
sS'CPD-18687'
p6449
S'CC4(C(O)C(O)C(O)C(OC3(C(O)C(OC2(C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))OC(C)C(O)2))OC(C)C(O)3))O4)'
p6450
sS'CPD-18685'
p6451
S'CC4(C(O)C(OC1(OC(C)C(OC)C(O)C(OC)1))C(O)C(OC3(C(OC)C(OC2(C=CC(C(OC)=O)=CC=2))OC(C)C(O)3))O4)'
p6452
sS'CPD-15006'
p6453
S'COC1(=CC(=CC=C(O)1)C(=O)OC2(OC(CO)C(O)C(O)C(O)2))'
p6454
sS'CPD-18339'
p6455
S'C=CC1(C)(CCC(C)(C(C)C)C3(C1=C2(C4(C(=CN2)CC(CO)NC(C(C(C)C)N(C)C(C=3)=4)=O))))'
p6456
sS'CPD-14197'
p6457
S'C([N+])CC(O)C(=O)NC2(C(C(C(OC1(C(O)C(O)C(O)C(C[N+])O1))C([N+])C2)O)OC3(OC(CO)C(O)C([N+])C(O)3))'
p6458
sS'CPD-15004'
p6459
S'CC=C1(C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C=C3(C(C)=C(C=C)C(=O)N3)))N4))=O)'
p6460
sS'ACETYL-ADP-RIBOSE'
p6461
S'CC(=O)OC4(OC(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(O)4)'
p6462
sS'CPD-14531'
p6463
S'CCCCCCCCCCCCN(C)(C)=O'
p6464
sS'N-METHYLHYDROXYLAMINE'
p6465
S'C[NH]O'
p6466
sS'5-METHYLTHIOINOSINE'
p6467
S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p6468
sS'CIS-ACONITATE'
p6469
S'C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]'
p6470
sS'CPD-729'
p6471
S'CCC=CCC1(C(=O)C=CC(CCCCCCCC([O-])=O)1)'
p6472
sS'CPD-14166'
p6473
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC4(C(OC2(OC(C(C2O)OC3(OC(CO)C(O)C(O)C3[N+]))CO))C(C([N+])CC([N+])4)O))'
p6474
sS'CPD-14165'
p6475
S'C1(C=C(O)C(=C(C=1)C(C=CC=C(C(=O)[O-])O)=O)O)'
p6476
sS'CPD-11018'
p6477
S'COC1(=CC(=CC=C(OS(=O)(=O)[O-])1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)))'
p6478
sS'FMPP'
p6479
S'C(F)C1(=CNC2(=C1C(=O)NC(N)=N2))'
p6480
sS'OXYGEN-MOLECULE'
p6481
S'O=O'
p6482
sS'CPD-14162'
p6483
S'C([N+])CC(O)C(=O)NC2(C(C(C(OC1(OC(CCC1[N+])C[N+]))C([N+])C2)O)OC3(OC(C(C(C(O)3)[N+])O)CO))'
p6484
sS'HYDRPHENYLAC-CPD'
p6485
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p6486
sS'NICOTINAMIDE_NUCLEOTIDE'
p6487
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p6488
sS'CPD-18028'
p6489
S'CN5([CH]2(CC(C(=O)[O-])[CH]([CH]4(CC1(C=CC=C(C=1[CH]3(CO[CH]2N34))OC)))5))'
p6490
sS'PROPIONATE'
p6491
S'CCC(=O)[O-]'
p6492
sS'CPD-8122'
p6493
S'C(OP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=NC3(C(N)=NC=NC2=3))))C5(O[CH]4(NC6(N=C(NC(=O)C(N[CH]4C(=C5[S-])S)=6)N)))'
p6494
sS'CPD-14562'
p6495
S'CC(=O)NC1(C(C(C(C(=O)[O-])OC1OP([O-])(=O)OP([O-])(OCC3(OC(N2(C(NC(=O)C=C2)=O))C(O)C3O))=O)O)[N+])'
p6496
sS'CPD-18021'
p6497
S'CC(C)=CCC(C=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O)C)C)C(C)(C)O'
p6498
sS'CPD-18026'
p6499
S'CC9(C(OC)=C(O)C1(=C(CC4(N(C)C1[CH]5(C6(SCC3(NCCC2(C=C(O)C(OC)=CC=23))C(=O)OCC(N(C(O)4)5)C7(C6=C(C(=O)OC)C(C)=C8(OCOC=78))))))C=9))'
p6500
sS'CPD-18027'
p6501
S'CC1(=C(C(C4(=C(C1=O)C3(C5(C6(C(C2(N(CCO2)3))CC(C(C#N)N(C(CO)4)5)N(C)6)))))=O)OC)'
p6502
sS'CPD-18024'
p6503
S'C(OP([O-])(=O)[O-])C1(O)(C(O)C(O)C(O)C(=O)C1)'
p6504
sS'CPD-14564'
p6505
S'CC[N+](O)(CC)CC'
p6506
sS'CPD-1821'
p6507
S'C(CCC[N+]CCCC[N+])[N+]'
p6508
sS'CPD-1823'
p6509
S'CN1(C=NC=C1CC(C(=O)[O-])[N+])'
p6510
sS'CPD-1822'
p6511
S'C1(C(=CC(=C(C=1)O)O)C3(OC2(C(=C(C=C(C=2)[O-])O)C(C(OS(=O)(=O)[O-])=3)=O)))'
p6512
sS'CPD-1825'
p6513
S'C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p6514
sS'CPD-1827'
p6515
S'CC(C)=CCCC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C'
p6516
sS'CPD-1826'
p6517
S'CC2(=NC(N)=C(C[N+]1(C=CC=CC=1))C=N2)'
p6518
sS'CPD-1829'
p6519
S'CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C5(C)(C(C)(CC(N)=O)C(CCC(=O)N)C4(C(C)=C7(C(CC(=O)N)(C)C(CCC(N)=O)C6(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co---]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))'
p6520
sS'CPD-1828'
p6521
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OC(C(=O)[O-])C(O)C(O)C(O)1))C2(OC(C(O)C(O)2)N4(C=NC3(C(=O)NC(N)=NC=34)))'
p6522
sS'NITRITE'
p6523
S'N([O-])=O'
p6524
sS'34-DIHYDROXYPHENYLPYRUVATE'
p6525
S'C(C(CC1(C=CC(O)=C(O)C=1))=O)(=O)[O-]'
p6526
sS'CPD-17999'
p6527
S'CC(CC(=O)CC(C(=O)[O-])C)C2(CC(O)C3(C)(C4(CC[CH]1(C(C)(C)C(=O)CCC(C)1C(C(=O)CC(C)23)=4))))'
p6528
sS'CPD-15968'
p6529
S'CC(=O)N(O)CCCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O'
p6530
sS'CPD-17651'
p6531
S'CC(C=CC=C(C=CC1(C(CC=C(C=1C)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)O)C)'
p6532
sS'CPD-15964'
p6533
S'C(C(C(O)C([O-])=O)C([O-])=O)P([O-])(O)=O'
p6534
sS'CPD-15965'
p6535
S'C(CC(=O)C(=O)[O-])P([O-])(O)=O'
p6536
sS'CPD-15966'
p6537
S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)[N+]'
p6538
sS'CPD-15967'
p6539
S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)NO'
p6540
sS'CPD-15960'
p6541
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CCO)C(C(C)C(O)CC(=O)O1)OC4(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(OC3(OC(CO)C(O)C(O)C(O)3))4))COC5(OC(C(O)C(OC)C(OC)5)C))'
p6542
sS'CPD-15961'
p6543
S'CC(=O)N(O)CCCP([O-])(=O)O'
p6544
sS'CPD-15962'
p6545
S'CC(=O)N(O)CC(O)CP([O-])(=O)O'
p6546
sS'CPD-15963'
p6547
S'C(C(O)(CC([O-])=O)C([O-])=O)P([O-])(O)=O'
p6548
sS'CPD-11905'
p6549
S'CC18(OC(CC([N+])C(O)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NCC=3C5(C4(C=CC=CC=4N(C=5C=67)8)))))))'
p6550
sS'CPD6666-1'
p6551
S'CCCCCCCCC=CCCCCCCCC(N)=O'
p6552
sS'CPD6666-3'
p6553
S'CCCCCCCCCCCCCCCC(N)=O'
p6554
sS'CPD6666-2'
p6555
S'CCCCCCCCCCCCCC(N)=O'
p6556
sS'CPD6666-4'
p6557
S'CCCCCC=CCC=CCCCCCCCC(NCCO)=O'
p6558
sS'CPD-17998'
p6559
S'CC5(CC3(C(C2(C(=O)C14(C(OC(C1C2C=C3)C)(O)C(N(C(=O)4)C)CO))C)CC5))'
p6560
sS'PYRAZOLIDINE'
p6561
S'C1(NNCC1)'
p6562
sS'CPD-6601'
p6563
S'CC(CC(C(NC(C(N2(CCCC(C([N+]C(C(NC(C(NC(C(NC(C(NC(C(NC(CC1(C=CC=CC=1))CO)=O)CCC(N)=O)=O)CCC([O-])=O)=O)(C)C)=O)(C)C)=O)C(C)C)C)2))=O)(C)C)=O)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C3(N(CCC3)C(=O)C(C)(C)NC(=O)C))C'
p6564
sS'CPD-6602'
p6565
S'COC2(C=C(C=CC(=CC(C=CC1(C=C(C(=CC=1)O)OC))=O)O)C=CC(O)=2)'
p6566
sS'CPD-17386'
p6567
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6568
sS'CPD-8868'
p6569
S'C[CH]=CC(=O)[Hg]Br'
p6570
sS'CPD-8869'
p6571
S'C(=C)[Hg]Br'
p6572
sS'CPD-17387'
p6573
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6574
sS'CPD-8862'
p6575
S'CCCCC#N'
p6576
sS'CPD-8863'
p6577
S'C(CCC#N)Cl'
p6578
sS'CPD-8860'
p6579
S'CCC#N'
p6580
sS'CPD0-1061'
p6581
S'CC1(C=C(C(C(C=O)=O)=C(C=1)C)C)'
p6582
sS'CPD-8866'
p6583
S'CCCC[Hg]Cl'
p6584
sS'CPD0-955'
p6585
S'CC1(=CC(=O)C(O)=C([O-])C(=O)1)'
p6586
sS'CPD-8864'
p6587
S'C(#N)CCCC#N'
p6588
sS'CPD-8865'
p6589
S'C[Hg]Cl'
p6590
sS'MALEAMATE'
p6591
S'C(=CC(=O)[O-])C(N)=O'
p6592
sS'solanapyrone-E'
p6593
S'CC2(C=C[CH]1(CCCC[CH]1C2C3(=CC(OC)=C(CO)C(=O)O3)))'
p6594
sS'solanapyrone-B'
p6595
S'CC2(C=CC1(CCCCC1C2C3(=CC(OC)=C(CO)C(=O)O3)))'
p6596
sS'CPD66-17'
p6597
S'CCC(C)(C)C(=O)OC3(CC(C)C=C2(C=CC(C)C(CCC1(CC(O)CC(=O)O1))[CH]23))'
p6598
sS'2-OCTAPRENYL-6-METHOXYPHENOL'
p6599
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C'
p6600
sS'CARBAMATE'
p6601
S'C(=O)([O-])N'
p6602
sS'TREHALOSE'
p6603
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))O'
p6604
sS'CPD-8688'
p6605
S'CC(=CC=CC=C(C=CC=C(C(=O)OC3(C(OC1(C(C(C(C(CO)O1)O)O)O))C(O)C(O)C(COC2(OC(CO)C(O)C(C(O)2)O))O3))C)C)C=CC=C(C(OC5(OC(COC4(OC(CO)C(O)C(C(O)4)O))C(O)C(O)C(O)5))=O)C'
p6606
sS'MG+2'
p6607
S'[Mg++]'
p6608
sS'CPD-8138'
p6609
S'C3(=CC=C(C1(OC2(C(C(=O)C=1)=CC(O)=CC=2)))C=C3)'
p6610
sS'CPD-8687'
p6611
S'CC(C=CC=C(C(=O)OC3(C(OC1(C(C(C(C(CO)O1)O)O)O))C(O)C(O)C(COC2(OC(CO)C(O)C(C(O)2)O))O3))C)=CC=CC=C(C=CC=C(C(OC6(OC(COC4(OC(CO)C(O)C(C(O)4)O))C(O)C(O)C(OC5(C(C(O)C(C(O5)CO)O)O))6))=O)C)C'
p6612
sS'CPD-8684'
p6613
S'CCCCCC=CC[CH]=O'
p6614
sS'SANGUINARINE'
p6615
S'C[N+]2(C1(C5(=C(C=CC=1C3(C=CC4(OCOC(C(C=2)=3)=4)))C=C6(C(=C5)OCO6))))'
p6616
sS'CPD-15218'
p6617
S'C=C1(C4(O)(CC5(C1)(C([CH]6(C3(C(=O)OC(CC2(OC23))([CH](CC4)5)6)(C)))C([O-])=O)))'
p6618
sS'CPD-12539'
p6619
S'C(O)C1(C(O)C(O)C([N+])C(O)O1)'
p6620
sS'MORPHINE'
p6621
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)O)O))(CC5))))'
p6622
sS'BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT'
p6623
S'CC24(CCC(CC(=CC[CH]1([CH]3(CCC(=O)C(C)(CC[CH]12)3)))4)OS(=O)(=O)[O-])'
p6624
sS'CPD-15212'
p6625
S'CC(C)CC2([N+]1(O[Fe+]OC=1C(CC(C)C)=[N+]3(O[Fe+]OC=23)))'
p6626
sS'CPD-12533'
p6627
S'C(OS(=O)(=O)[O-])C1(C(O)C(O)C(NS(=O)(=O)[O-])C(O)O1)'
p6628
sS'CPD-15210'
p6629
S'CC(C)CC1(NC(=O)C(CC(C)C)NC(=O)1)'
p6630
sS'CPD-15211'
p6631
S'CC(C)CC1(=[N+]([O-])C([O-])=C(CC(C)C)[N+]([O-])=C([O-])1)'
p6632
sS'CPD-15216'
p6633
S'COC1(=CC(=CC=C1N)C(=O)[O-])'
p6634
sS'CPD-15217'
p6635
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC=C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p6636
sS'CPD-15215'
p6637
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(C=C(OC)C(=N)1)=O)'
p6638
sS'2-ETHYLHEXYL-PHTHALATE'
p6639
S'CCCCC(CC)COC(=O)C1(C=CC=CC(C(=O)[O-])=1)'
p6640
sS'CPD-18537'
p6641
S'C(=O)([O-])C(O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p6642
sS'CPD-928'
p6643
S'C1(C=CC(=C(C=1)C(C=CC=C(C(=O)[O-])O)=O)O)'
p6644
sS'CPD-8680'
p6645
S'CCC=CCC=CC=COC=CCCCCCCC([O-])=O'
p6646
sS'CPD-924'
p6647
S'C(C=CC=C(C(=O)[O-])O)(OC1(=CC=CC=C1O))=O'
p6648
sS'CPD-925'
p6649
S'C1(C=C2(OC3(=CC=CC(O)C(OC(=CC=1)2)3O)))'
p6650
sS'CPD-430'
p6651
S'C(CCC(NC(=O)C1(C=CC=CC=1))C([O-])=O)NC(=O)C2(C=CC=CC=2)'
p6652
sS'CPD-927'
p6653
S'C1(C=CC(=C(C=1)C2(=CC=CC(=C(O)2)O))O)'
p6654
sS'CPD-921'
p6655
S'C(SSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)C(C([O-])=O)[N+]'
p6656
sS'CPD-434'
p6657
S'CC(N1(C=NC=C1))=O'
p6658
sS'CPD-923'
p6659
S'C2(=CC(O)=C(OC1(=CC=CC(O)=C(O)1))C=C2)'
p6660
sS'CPD-11845'
p6661
S'COC1(C=C(C=CC=1O)C(=O)NC(CCC([O-])=O)C(=O)[O-])'
p6662
sS'CPD-12010'
p6663
S'CCC(CO)O'
p6664
sS'3-HYDROXY-ANTHRANILATE'
p6665
S'C1(C=C(C(N)=C(O)C=1)C([O-])=O)'
p6666
sS'CPD-16546'
p6667
S'C(=O)(N)CC1(C=CC(O)=CC=1)'
p6668
sS'CPD-16544'
p6669
S'C(OC(=O)CC([O-])=O)C1(C(O)C(OC(=O)CC(=O)[O-])C(O)C(O1)OC3(C(C2(=CC=C(O)C=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))'
p6670
sS'CPD-16543'
p6671
S'C(OC(=O)CC([O-])=O)C1(C(O)C(OC(=O)CC(=O)[O-])C(O)C(O1)OC3(C(C2(=CC(O)=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))'
p6672
sS'CPD-16542'
p6673
S'C(OC(CC(=O)[O-])=O)C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=C(O)C(=CC=3)O))=4)[O-])[O-])))'
p6674
sS'CPD-16541'
p6675
S'C1(C=C(O)C=CC=1C=CC(=O)OCC5(OC(OC3(C(=[O+]C2(C(=C([O-])C=C([O-])C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(O)C(O)C(O)5))'
p6676
sS'CPD-16540'
p6677
S'COC1(=CC(=CC(OC)=C(O)1)C=CC(=O)OC9(C(OC2(C(OC(C(O)C(O)2)COC(C=CC4(C=CC(OC3(C(O)C(O)C(O)C(CO)O3))=CC=4))=O)OC7(C(=[O+]C6(=C(C(OC5(OC(COC(=O)CC(=O)O)C(O)C(O)C(O)5))=CC(O)=C6)C=7))C8(=CC(O)=C(O)C=C8))))OCC(O)C(O)9))'
p6678
sS'CPD0-1475'
p6679
S'CC(Cl)(N)C([O-])=O'
p6680
sS'CPD0-1474'
p6681
S'CN1(C(CNC2(N=C(NC(=O)C1=2)N))CNC3(=CC=C(C(=O)NC(C(NC(C([O-])=O)CCC(=O)[O-])=O)CCC([O-])=O)C=C3))'
p6682
sS'CPD0-1477'
p6683
S'COC2(=C(N)C=CC(C1(C=CC(N)=C(OC)C=1))=C2)'
p6684
sS'CPD0-1476'
p6685
S'C(O)(O)C(Cl)(Cl)Cl'
p6686
sS'CPD0-1471'
p6687
S'C(=O)C1(=NC2(=C(N=C1)N=C(N)NC(=O)2))'
p6688
sS'CPD0-1470'
p6689
S'C(N)(=[N+])N'
p6690
sS'CPD0-1473'
p6691
S'C(C2(=NC1(C(NC(=NC=1N=C2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)C=C3)'
p6692
sS'CPD0-1472'
p6693
S'C1(C=C(C=CC=1C(NC(C(NC(CCC([O-])=O)C([O-])=O)=O)CCC([O-])=O)=O)NC[CH]3(CNC2(=C(C(NC(N)=N2)=O)N3)))'
p6694
sS'CPD-696'
p6695
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p6696
sS'CPD-12656'
p6697
S'C1(C=C(O)C=CC=1C(=O)CC(=O)C3(C(O)=C(C2(C(C(C(O)C(O2)CO)O)O))C([O-])=CC(O)=3))'
p6698
sS'CPD-12655'
p6699
S'C1(=CC(O)=CC=C1C(=O)[C-]C(=O)C2(=C(O)C=C(O)C=C(O)2))'
p6700
sS'CPD-12654'
p6701
S'CCC=CCC=CCC=CCC#CCCCCC(=O)[O-]'
p6702
sS'CPD-12653'
p6703
S'CCC=CCC=CCC=CCC=CCCCCC(=O)[O-]'
p6704
sS'CPD-12652'
p6705
S'CCCCCC=CCC=CCC#CCCCCC(=O)[O-]'
p6706
sS'CPD-690'
p6707
S'CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)[O-])C9(C%11(C)(C(C)(CC(N)=O)C(CCC([O-])=O)C1(=[N+]([Co--]3([N+]2(C(=C(C)1)C(C)(CC(N)=O)C(CCC([O-])=O)C=2C=C4(C(C)(C)C(CCC([O-])=O)C(=[N+]34)5)))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))'
p6708
sS'CPD-691'
p6709
S'CC5(=C%10(C(C)(CCC([O-])=O)C(CC(=O)N)C9(C%11(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co--]2([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=45))(CC6(C(C(O)C(O6)N7(C=NC8(=C7N=CN=C8N)))O))N9%10)%11)))))'
p6710
sS'CPD1G-1345'
p6711
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)'
p6712
sS'CPD-698'
p6713
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p6714
sS'CPD-12658'
p6715
S'CC3(C=C2(N=C4(C(=O)N=C(O)N=C(N(CC(O)C(O)C1(COP([O-])(=O)O1))C2=CC(C)=3)4)))'
p6716
sS'CPD-8732'
p6717
S'CC1(CCC2(C(CCCC(C(C=1)2)(C)C)=C))'
p6718
sS'CPD-8733'
p6719
S'CC1(CCC2(=C(CCCC(C(C=1)2)(C)C)C))'
p6720
sS'CPD-8730'
p6721
S'CC1(CCCC(C=CC(CCC=1)=C)(C)C)'
p6722
sS'CPD-8731'
p6723
S'CC(C1(=CC2(C(CC1)(CCCC2=C)C)))C'
p6724
sS'CPD-2749'
p6725
S'C1(=O)(CC[CH](N1)C2(C=NC=CC=2))'
p6726
sS'CPD-8737'
p6727
S'CC(C)=CCCC(C)=C1(CCC(C)=CC1)'
p6728
sS'CPD-8734'
p6729
S'CC1(CCC2(C(=CCCC(C(C=1)2)(C)C)C))'
p6730
sS'CPD-8735'
p6731
S'CC(C1(=CC=C(CC1)C))C'
p6732
sS'CPD-2744'
p6733
S'C1(CC[CH]([N+](C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))'
p6734
sS'CPD-2747'
p6735
S'C1(=O)(CC[CH](N(C)1)C3(C=[N+](C2(C(C(C(C(O2)C([O-])=O)O)O)O))C=CC=3))'
p6736
sS'CPD-8739'
p6737
S'CC(C1(C2(C3(C(=CCC(C(CC1)C)23)C))))C'
p6738
sS'CPD-10879'
p6739
S'C([O-])(=O)C=CC=C(C([O-])=O)F'
p6740
sS'CPD-10878'
p6741
S'C1(=C(Cl)C=C(O)C(O)=C(F)1)'
p6742
sS'CPD-14812'
p6743
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(O)C=C12)))3)OC4(OC(CO)C(O)C(O)C(O)4))'
p6744
sS'CPD-2742'
p6745
S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p6746
sS'CPD-16899'
p6747
S'C2(C=C1(C(=CNC1=CC=2)C[CH]3(NC(=O)C4(C(NC(=O)3)=CC=CC=4))))'
p6748
sS'ACIFLUORFEN'
p6749
S'C(C1(C=C(C=CC=1N(=O)=O)OC2(C=CC(=CC=2Cl)C(F)(F)F)))(=O)[O-]'
p6750
sS'11-DCE'
p6751
S'C=C(Cl)Cl'
p6752
sS'CPD-16894'
p6753
S'CC(O)CCCCCCC=CCCCCCCCC([O-])=O'
p6754
sS'CPD-16891'
p6755
S'C(O)C1(C(O)C(O)C(O)C[N+]1)'
p6756
sS'CPD-18648'
p6757
S'C(NO)(CCC(C(=O)[O-])[N+])=O'
p6758
sS'CPD-16893'
p6759
S'C(O)CCCCC[N+]'
p6760
sS'CPD-16892'
p6761
S'C(O)CCC[N+]'
p6762
sS'CPD-9020'
p6763
S'C([CH]2(NC1(C(NC(=NC=1NC2)N)=O)))NC3(=CC=C(C([O-])=O)C=C3)'
p6764
sS'CPD-9023'
p6765
S'C2(C1(=C(N=CN1)N=C(O)N=2))'
p6766
sS'CPD-14348'
p6767
S'CC(=O)C4(C(=O)C5(OC3(CC(OC2(CC(OC1(CC(O)(C)C(O)C(C)O1))C(O)C(C)O2))C(O)C(C)O3))([CH](C(OC)C=4O)CC7(=C(C(=O)5)C(O)=C6(C(O)=CC(O)=CC6=C7))))'
p6768
sS'CPD-9025'
p6769
S'CN2(C(=O)NC1(=C(NC=N1)C(=O)2))'
p6770
sS'CPD-9024'
p6771
S'C1(=C2(C(N=CN=C(NN1)2)=O))'
p6772
sS'CPD-9026'
p6773
S'CC1(C(=C(C(=CN=1)C=O)C(=O)[O-])O)'
p6774
sS'CPD-9029'
p6775
S'CCCCCC(=O)NC1(CCOC(=O)1)'
p6776
sS'CPD-9028'
p6777
S'CC1(=NC=C2(C(=C(O)1)COC(=O)2))'
p6778
sS'DITP'
p6779
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p6780
sS'CPDQT-256'
p6781
S'CSCCCCCCCC([N+])C(=O)[O-]'
p6782
sS'L-GAMMA-GLUTAMYLCYSTEINE'
p6783
S'C(S)C(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p6784
sS'BETA-KOJIBIOSE'
p6785
S'C(O)C2(OC(O)C(OC1(C(O)C(C(O)C(CO)O1)O))C(O)C(O)2)'
p6786
sS'CPD-18643'
p6787
S'CC(CO)CCC(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p6788
sS'N-ACETYL-5-METHOXY-TRYPTAMINE'
p6789
S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p6790
sS'CPD-11864'
p6791
S'C(=O)([O-])C2(C=C(C1(C=C(C(=O)[O-])C=C(O)C(O)=1))C(O)=C(O)C=2)'
p6792
sS'CPD-11763'
p6793
S'C(SSSCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC(=O)[O-])C(C(O)NCC(=O)[O-])NC(CCC(C([O-])=O)[N+])=O'
p6794
sS'CPD-14340'
p6795
S'CC(C=CC1(=C(CC(O)CC1(C)C)C))=CC=CC(=CCO)C'
p6796
sS'CPD-6228'
p6797
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C)([CH](CC2)3)4)C(=O)[O-]))C([O-])=O)))'
p6798
sS'CPD-18310'
p6799
S'CC([N+])C(=O)NC(CNC(=O)C1(OC(C(=O)N)1))C(=O)[O-]'
p6800
sS'CPD-16385'
p6801
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(O)C(O)C(OP(=O)([O-])[O-])2))'
p6802
sS'CPD-18312'
p6803
S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p6804
sS'34-DIMETHYLBENZYL-ALCOHOL'
p6805
S'CC1(C(C)=CC(CO)=CC=1)'
p6806
sS'DIIODO-HYDROXYPHENYL-LACTATE'
p6807
S'C1(=C(C([O-])=C(C=C1CC(O)C(=O)[O-])I)I)'
p6808
sS'CPD-14344'
p6809
S'C1(=CC(=C(N)C=C(O)1)C([O-])=O)'
p6810
sS'CPD-6224'
p6811
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p6812
sS'CPD-8198'
p6813
S'CC1(C(C(C(O)C(O1)OC2(C(OC)OC(C(O)C2O)CO))O)O)'
p6814
sS'CPD-8197'
p6815
S'C(C1(OC3(C(C(O)1)O)(COC2(OC(CO)C(C2O)O)CO3)))O'
p6816
sS'CPD-8192'
p6817
S'CC(C)=CCC2(C(O)=CC1(OC(=O)C=CC=1C=2))'
p6818
sS'CPD-8191'
p6819
S'CC(O)(C)C1(OC3(C(C1)=CC2(=C(OC(=O)C=C2)C=3)))'
p6820
sS'CPD-16658'
p6821
S'CC2(C(C1(C(O)=CC(O)=CC=1C(=O)C=2OC))=O)'
p6822
sS'3457-TETRAHYDROXY-3-METHOXYFLAVONE'
p6823
S'COC3(C(=O)C1(C(=CC([O-])=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3))'
p6824
sS'TETRAHYDROTHIOPHENE'
p6825
S'C1(SCCC1)'
p6826
sS'CPD-17996'
p6827
S'CC=C(C)C=C(C)C=CC=C(C)C=CC(C(C)C(=O)NC(C(=O)O)CC1(C=CC(O)=CC=1))=O'
p6828
sS'DITHIOTHREITOL'
p6829
S'C(S)C(O)C(O)CS'
p6830
sS'NALPHA-GAMMA-L-GLUTAMYLHISTAMINE'
p6831
S'C(CC1(=CN=CN1))NC(=O)CCC([N+])C(=O)[O-]'
p6832
sS'CPD-14026'
p6833
S'C=CC(C)=CC[CH]1(C(=C)CC[CH]2(C(C)1CCCC(C)(C)2))'
p6834
sS'CPD-14027'
p6835
S'CC(=CCO)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p6836
sS'CPD-14025'
p6837
S'C=CC(=C)CC[CH]1(C(=C)CC[CH]2(C(C)1CCCC(C)(C)2))'
p6838
sS'CPD-14021'
p6839
S'CC(NC3(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)OC(C(C3OP([O-])(=O)[O-])O)CO))=O'
p6840
sS'CPD-17059'
p6841
S'CC2(C(CCC(=O)[O-])=C8(N3([Fe--]46([N+]1(=C(C(C)(CC([O-])=O)C(=O)C1=CC5(C(CC(=O)[O-])(C)C(=O)C(=CC=23)[N+]4=5))C=C7(C(C)=C(C=CC([O-])=O)C(N67)=C8))))))'
p6842
sS'CPD-7704'
p6843
S'C2(=NC(SSC1(C=CC(C([O-])=O)=CN=1))=CC=C(C(=O)[O-])2)'
p6844
sS'FRUCTOSELYSINE-6-PHOSPHATE'
p6845
S'C([N+]CCCCC([N+])C(=O)[O-])C(=O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p6846
sS'CPD-17052'
p6847
S'CN1(C(=O)C34(SSC(CO)1C(=O)N([CH]2(C(=CC=CC(O)2)C3))4))'
p6848
sS'CPD-17053'
p6849
S'CN1(C(=O)C2(SC)(CC3([CH](N(C(=O)C(SC)(CO)1)2)C(O)C=CC=3)))'
p6850
sS'CPD-17050'
p6851
S'C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3)'
p6852
sS'CPD-7705'
p6853
S'CCC(=O)CC(=O)[O-]'
p6854
sS'S-COCLAURINE'
p6855
S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)OC))CC3(=CC=C(C=C3)O))'
p6856
sS'CPD-12012'
p6857
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC=CC[CH]=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p6858
sS'CPD-13218'
p6859
S'C=CC(CC)=O'
p6860
sS'CPD-13219'
p6861
S'C(=O)([O-])CCC([N+])C(=O)NC(CCC(=O)[O-])C([O-])=O'
p6862
sS'CPD-3502'
p6863
S'COC3(C=CC(C2(C(OC1(=C(C=CC(O)=C1)C(=O)2))O))=CC=3)'
p6864
sS'CPD-13214'
p6865
S'C1(=C(C=CC(=C1)OC2(C(C(C(CO2)OC3(OCC(O)C(O)C(O)3))O)O))[N+]([O-])=O)'
p6866
sS'CPD-13215'
p6867
S'C1(C(O)C(O)C(O)C(O1)OC3(C(O)C(O)C(OC2(C(O)C(O)C(O)OC2))OC3))'
p6868
sS'CPD-13216'
p6869
S'C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(OC2)OC4(C(O)C(O)C(OC3(C(O)C(O)C(O)OC3))OC4)))'
p6870
sS'CPD-13210'
p6871
S'C1(=C(C=CC(=C1)OC2(C(C(C(CO2)O)O)O))N(=O)=O)'
p6872
sS'CPD-13211'
p6873
S'C1(=C(C=CC(=C1)OC2(C(C(C(C(CO)O2)O)O)O))[N+]([O-])=O)'
p6874
sS'CPD-13212'
p6875
S'CC4(C3(C=CC(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))=CC=3OC(=O)C=4))'
p6876
sS'CPD-7283'
p6877
S'CC(CCC(=O)NCCS([O-])(=O)=O)[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p6878
sS'CPD-10495'
p6879
S'C=CC3(=C8(N2([Fe++]46([N+]1(=C(C(=C(C1=CC2=C3C)C)CCC(C)=O)C=C5(N4C(C(=C5CCC(=O)C)C)=CC7(=[N+]6C(C(=C7C=C)C)=C8)))))))'
p6880
sS'CPD-10494'
p6881
S'C=CC3(=C8(N2([Fe+++]46([N+]1(=C(C(=C(C1=CC2=C3C)C)CCC(C)=O)C=C5(N4C(C(=C5CCC(=O)C)C)=CC7(=[N+]6C(C(=C7C=C)C)=C8)))))))'
p6882
sS'CPD-8835'
p6883
S'C=CC(=C)CC(O)C=C(C)C'
p6884
sS'CPD-10498'
p6885
S'C4(OC(OCC3(OC(OC2(C(O)C(O)C(O)OC(COC1(OCC(O)C(O)C(O)1))2))C(O)C(O)C(O)3))C(O)C(O)C(O)4)'
p6886
sS'CPD-18237'
p6887
S'C(NC(=O)N)C(C(=O)N)NC(=O)C(O)C(O)C([N+])C(O)CC(O)C([N+])CO'
p6888
sS'CPD-14795'
p6889
S'CC(NC3(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)OC(C(C3O)O)CO))=O'
p6890
sS'CPD-14796'
p6891
S'CC3(=C1(CCC(C)1[CH]2(CC(C)(C)C[CH]2C3)))'
p6892
sS'CPD-14973'
p6893
S'C4(C=CC(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)OC3(C(C(C(O)C(O3)CO)O)O))))=CC=4)'
p6894
sS'CPD-14974'
p6895
S'C=CC(C)(C)C1(C3(=C(C(O)=CC([O-])=1)C(=O)C(=C(C2(C=CC(OC)=CC=2))O3)[O-]))'
p6896
sS'CPD-14976'
p6897
S'C(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))C(O)C(O)C(O)4))(=O)C=CC5(C=CC(O)=CC=5)'
p6898
sS'CPD-14977'
p6899
S'COC5(C=C(C=CC(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))C(O)C(O)C(O)4))=O)C=CC(O)=5)'
p6900
sS'CPD-14978'
p6901
S'C(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))C(O)C(O)C(O)4))(=O)C=CC5(C=CC(O)=CC=5)'
p6902
sS'CPD-14979'
p6903
S'COC5(C=C(C=CC(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))C(O)C(O)C(O)4))=O)C=CC(O)=5)'
p6904
sS'CPD-14798'
p6905
S'CC1(C23(C(C)(CC1)C(=C)CC(C)(CCC2)3))'
p6906
sS'CPD-18239'
p6907
S'C1(NC(=N)NC1CC(O)CCCC([N+])C([N+])C([O-])=O)'
p6908
sS'CPD-18238'
p6909
S'C(=O)([O-])OP([O-])(=O)O'
p6910
sS'CPD-15370'
p6911
S'CCCCCCC(O)CC=CCCCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6912
sS'CPD-7802'
p6913
S'CCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCC)=O'
p6914
sS'CPD-17382'
p6915
S'CCC=CCC=CCC=CCC=CCC=CCCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p6916
sS'CPD-3732'
p6917
S'CC2(=CN(C1(CC(C(CO)O1)OP([O-])(=O)[O-]))C(NC2=O)=O)'
p6918
sS'BENZYL-2-METHYL-3-OXOBUTANOATE'
p6919
S'CC(C(C)=O)C(=O)OCC1(C=CC=CC=1)'
p6920
sS'TARTRATE'
p6921
S'C(C(C(C([O-])=O)O)O)([O-])=O'
p6922
sS'CPD-5821'
p6923
S'C(C1(O)(NC(=O)N=C1NC(N)=O))(=O)[O-]'
p6924
sS'CPD-17615'
p6925
S'CCCCCC=CC=CC=CCCCCCCC(=O)[O-]'
p6926
sS'CPD-18305'
p6927
S'CN=C=O'
p6928
sS'CPD-18790'
p6929
S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C(O)2)CO)OC3(OC(C(C(C3O)O)O)CO))O)O))O)O)O))O'
p6930
sS'CPD-9914'
p6931
S'C=C(OC1(=CC=CC(=C1N)C(=O)[O-]))C(=O)[O-]'
p6932
sS'CPD-18792'
p6933
S'C(O)C3(C(O)C(O)C(O)C(OC2(C(C(CO)=CC(NC1(C=C(CO)C(C(C1O)O)O))C2O)O))O3)'
p6934
sS'CDP-GROUP'
p6935
S'C1(N)(C=CN(C(=O)N=1)C2(OC(COP([O-])(=O)OP([O-])(=O)O)C(O)C(O)2))'
p6936
sS'CPD-18794'
p6937
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)C(O)C=1)'
p6938
sS'CPD-17616'
p6939
S'C2(OC1(=CC(=C(O)C=C1O2)C3(=CC4(C=CC(=CC(OC3)=4)O))))'
p6940
sS'CPD-9910'
p6941
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p6942
sS'CPD0-1277'
p6943
S'CCC(C)CCCCC(=O)NC(CC[N+])C(=O)NC(C(C)O)C(=O)NC(CC[N+])C(=O)NC1(C(=O)NC(CC[N+])C(NC(C(NC(CC(C)C)C(=O)NC(C(=O)NC(CC[N+])C(NC(C(=O)NCC1)C(O)C)=O)CC[N+])=O)CC2(C=CC=CC=2))=O)'
p6944
sS'CPD0-1276'
p6945
S'C([O-])(=O)C1(CCCC([N+])(C(=O)[O-])C1)'
p6946
sS'CPD-15773'
p6947
S'C(O)C(O)C(O)C(O)C(O)C[N+]C(CCC(=O)N)C(=O)[O-]'
p6948
sS'CPD0-1274'
p6949
S'C(=O)([O-])C1(C=C(O)C=C(O)C=1)'
p6950
sS'CPD0-1272'
p6951
S'C(=O)([O-])C1(OC(C(=O)[O-])=CC(=O)C=1)'
p6952
sS'CPD0-1271'
p6953
S'C(=O)([O-])C1(NC(C(=O)[O-])=CC(=O)C=1)'
p6954
sS'CPD-15776'
p6955
S'CC1([N+](=CSC=1CCO)CC2(C(O)=NC(=NC=2)C))'
p6956
sS'CPD-15779'
p6957
S'CC1(N=CC=CC=1CCO)'
p6958
sS'CPD-15778'
p6959
S'CC1(N=C(O)C(CO)=CN=1)'
p6960
sS'5-UREIDO-4-IMIDAZOLE_CARBOXYLATE'
p6961
S'C1(=NC(C(=O)[O-])=C(NC(=O)N)N1)'
p6962
sS'IMIDAZOLE-ACETOL-P'
p6963
S'C1(NC=NC=1CC(COP([O-])(=O)[O-])=O)'
p6964
sS'ACETYLSERINE'
p6965
S'CC(OCC([N+])C(=O)[O-])=O'
p6966
sS'256-TRIHYDROXY-56-DIHYDROQUINOLINE'
p6967
S'C1(C=C(O)N=C2(C=CC(O)C(O)C=12))'
p6968
sS'L-DEHYDRO-ASCORBATE'
p6969
S'C(O)C(O)C1(C(=O)C(=O)C(=O)O1)'
p6970
sS'CPD0-1189'
p6971
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OC1(C(C(O)C([N+])CO1)O))C)C)C)C)C)C)C'
p6972
sS'CPD0-1187'
p6973
S'C(C1(OC(C(C1O)OP([O-])(=O)[O-])N3(C=NC2(=C(N=CN=C23)N))))OP([O-])(=O)[O-]'
p6974
sS'LIPOIC-ACID'
p6975
S'C(CCC(=O)[O-])CC1(CCSS1)'
p6976
sS'CPD-15515'
p6977
S'CCOC1(C=CC(=CC=1)NC(C)=O)'
p6978
sS'CPD-15517'
p6979
S'CC(C)CC1(=CC=C(C(C)C([O-])=O)C=C1)'
p6980
sS'CPD-15510'
p6981
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC5(=C(C([O-])=2)C=CC(OC4(OC(C)(C)C(OC)C(OC(C3(NC(C)=CC=3))=O)C(O)4))=C(C)5)))=O)'
p6982
sS'CPD-15512'
p6983
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C(Cl)3)))=O)'
p6984
sS'CPD-15518'
p6985
S'CC(C([O-])=O)C1(=CC=C2(C(=C1)C=CC(OC)=C2))'
p6986
sS'CPD-7070'
p6987
S'C(C(CC1(=CC=C(C=C1)O))N(O)O)([O-])=O'
p6988
sS'CPD-7071'
p6989
S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))C=CC=3O)'
p6990
sS'CPD-7072'
p6991
S'COC3(=C(C=C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))C=C3)O)'
p6992
sS'CPD-7073'
p6993
S'COC4(=C(C=C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)OC3(OC(C(C(C3O)O)O)CO))))C=C4)O)'
p6994
sS'CPD-7074'
p6995
S'CC5(OC(OC1(C(C(C(OC1OC2(C=C3(OC(CC(C(=C(C=2)O)3)=O)C4(C=C(C(=CC=4)OC)O))))CO)O)O))C(C(C5O)O)O)'
p6996
sS'CPD-7075'
p6997
S'CC1(OC(C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O2)OC5(C=C(O)C4(C(=O)CC(C3(C=CC(OC)=C(O)C=3))OC=4C=5))))'
p6998
sS'CPD-7077'
p6999
S'CC=C(C([O-])=O)C'
p7000
sS'1-AMINO-PROPAN-2-ONE-3-PHOSPHATE'
p7001
S'C(C(=O)C[N+])OP(=O)([O-])[O-]'
p7002
sS'CPD-7079'
p7003
S'COC1(=CC2(OC(CC(C(C(=C1)O)=2)=O)C3(C=CC(=CC=3)O)))'
p7004
sS'D-HAMAMELOSE'
p7005
S'C1(OC(O)C(O)(CO)C(O)C(O)1)'
p7006
sS'CPD-15230'
p7007
S'CC3(O)(C([N+]C)C(O)C(OC2(C([N+])CC([N+])C(OC1(OC(C[N+])=CCC([N+])1))C(O)2))OC3)'
p7008
sS'CPD-10176'
p7009
S'C1(=CO[CH]2([CH]1C3(C(O2)=CC4(=C(C(O)=3)C(=O)C5(=C(C(=O)4)C=C([O-])C=C(O)5)))))'
p7010
sS'2-METHYL-6-SOLANYL-14-BENZOQUINONE'
p7011
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCC1(=C(O)C(C)=CC(O)=C1))C)C)C)C'
p7012
sS'7-DEOXYLOGANIN'
p7013
S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C(OC)=O)3))'
p7014
sS'L-GLUTAMATE-5-P'
p7015
S'C(CCC(C(=O)[O-])[N+])(OP([O-])(=O)[O-])=O'
p7016
sS'CPD-8632'
p7017
S'C(O)C3(C(O)C(O)C(O)C(OC1(C=C(C(=C(C=1)O)C(C=CC2(C=CC(=CC=2)O))=O)O))O3)'
p7018
sS'5-HYDROXYISOURATE'
p7019
S'C2(C1(O)(NC(=O)NC1=NC(=O)N2))(=O)'
p7020
sS'MONOTRANS-CIS-DECAPRENYL-GROUP'
p7021
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)C)C'
p7022
sS'CPD-595'
p7023
S'C(CCCNC(N)=[N+])NC(N)=[N+]'
p7024
sS'CPD-594'
p7025
S'C(CC([O-])=O)NC(N)=[N+]'
p7026
sS'CPD-597'
p7027
S'C(CCCNC(N)=O)[N+]'
p7028
sS'CPD-596'
p7029
S'CN(C(=[N+])NCCCC([N+])C(=O)[O-])C'
p7030
sS'CPD-591'
p7031
S'C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)'
p7032
sS'CPD-590'
p7033
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)O)O)O)))=CC(O)=C(C=3)O)'
p7034
sS'CPD-593'
p7035
S'CNC(N)=[N+]'
p7036
sS'CPD-592'
p7037
S'C([O-])(=O)CCCNC(=[N+])N'
p7038
sS'GIBBERELLIN'
p7039
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(C=CC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p7040
sS'CPD-599'
p7041
S'C(=O)([O-])CC(NC(N)=[N+])C(=O)[O-]'
p7042
sS'CPD-13898'
p7043
S'C#CCN(C)CC1(C=CC=CC=1)'
p7044
sS'LATHYRINE'
p7045
S'C1(C=C(N=C(N=1)N)CC([N+])C(=O)[O-])'
p7046
sS'1-AMINO-PROPAN-2-OL'
p7047
S'CC(O)C[N+]'
p7048
sS'TETRACHLOROETHENE'
p7049
S'C(Cl)(Cl)=C(Cl)Cl'
p7050
sS'SECOLOGANIN-CPD'
p7051
S'C=C[CH]1(C(OC=C(C(=O)OC)[CH](CC=O)1)OC2(OC(CO)C(O)C(O)C(O)2))'
p7052
sS'CPD-15234'
p7053
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C=CC(=CC=2)C=CC(=O)OCC4(C(O)C(O)C(OC3(C(O)C(O)C(O)CO3))C(O4)OC6(C(C5(=CC=C(O)C(O)=C5))=[O+]C8(=C(C=6)C(OC7(C(O)C(O)C(O)C(COC(=O)CC(=O)[O-])O7))=CC([O-])=C8)))))'
p7054
sS'CPD-10172'
p7055
S'CC(=O)OCCC(C1(C([O-])=CC2(=C(C(O)=1)C(=O)C3(=C(C(=O)2)C=C([O-])C=C(O)3))))CO'
p7056
sS'L-PHOSPHINOTHRICIN'
p7057
S'CP(CCC([N+])C(=O)[O-])([O-])=O'
p7058
sS'CHORISMATE'
p7059
S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p7060
sS'3-HYDROXYADIPYL-COA'
p7061
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC(=O)[O-])O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7062
sS'CPD-17388'
p7063
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p7064
sS'S-NORCOCLAURINE'
p7065
S'C1([N+]C(C2(=C(C1)C=C(C(=C2)O)O))CC3(=CC=C(C=C3)O))'
p7066
sS'OXIDIZED-GLUTATHIONE'
p7067
S'C(SSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p7068
sS'CPD-11510'
p7069
S'C(O)C2(C(O)C(O)C(O)C(OCCC=CCC1(C(CC(=O)[O-])CCC(=O)1))O2)'
p7070
sS'CPD-11517'
p7071
S'CCC=CCC4(C(=O)CCC(CCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p7072
sS'CPD-1021'
p7073
S'CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCCN(O)C(C)=O)=O)=O'
p7074
sS'N-ACETYL-L-24-DIAMINOBUTANOATE'
p7075
S'CC(=O)NCCC([N+])C(=O)[O-]'
p7076
sS'CPD-17389'
p7077
S'C=CC(C)(C)C15(C2(NC(=O)C(N(C(=O)C(O)=C1)2)=CC3(=CNC=N3))[NH]C4(C=CC=CC=45))'
p7078
sS'CPD-1022'
p7079
S'C(CCNO)[N+]'
p7080
sS'CPD-16153'
p7081
S'C(Cl)=CC#N'
p7082
sS'CPD-17618'
p7083
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7084
sS'CPD-8635'
p7085
S'C4(OC3(C=C2(OC(=CC1(C=C(O)C(O)=C(O)C=1))C(=O)C2=C(C=3)O)))(OC(CO)C(O)C(O)C(O)4)'
p7086
sS'CPD-16159'
p7087
S'C(O)C1(C(O)C(O)C(COP([O-])([O-])=O)(O)O1)'
p7088
sS'CPD-17207'
p7089
S'CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C1C(=O)[O-])CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))'
p7090
sS'CPD-17206'
p7091
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)C([N+])C(O)4)'
p7092
sS'CPD-17205'
p7093
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)C(=O)C(O)4)'
p7094
sS'CPD-17204'
p7095
S'CC(O)(C)C1(OC3(C2(OC(C(O)1)2)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC8(=C6C9(CC7(C(C(C)(C)OC(C)(C)7)C(=O)C(C=C8)=9))))))))'
p7096
sS'CPD-8509'
p7097
S'CCCCCCCCCCCCCCCC'
p7098
sS'CPD-8508'
p7099
S'CCCCCCCCCCCCCCCC(OCC(O)CO)=O'
p7100
sS'CPD-17201'
p7101
S'CC(C)=CCC8(C=CC7(=C(C6(=C(C5(C)(C2(C)(C(O)(C14(OC(C3(OC(C=C(C)C)OC(C)(C)C(OC1CC2)3))4))CC[CH]5C6)))N7))C(CC=C(C)C)=8))'
p7102
sS'CPD-8058'
p7103
S'COC1(C(C(C(C(C1O)O)O)O)OC2(C(C(C(C(O2)CO)O)O)O))'
p7104
sS'CPD-8505'
p7105
S'CCCCCCCCC([O-])=O'
p7106
sS'CPD-8507'
p7107
S'CC=C(C(C)C)CCC(C)[CH]2(CC[CH]3([CH]4(CC[CH]1(CC(CCC(C)1[CH](CCC(C)23)4)O))))'
p7108
sS'CPD-8503'
p7109
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p7110
sS'CPD-17208'
p7111
S'CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(CO)1)CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))'
p7112
sS'ALANYL-POLYGLYCEROLPHOSPHATE'
p7113
S'CC([N+])C(=O)OC(COP(O[R1])([O-])=O)CO[R2]'
p7114
sS'ALLANTOATE'
p7115
S'C(C(=O)[O-])(NC(=O)N)NC(=O)N'
p7116
sS'CPD-17619'
p7117
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7118
sS'PANTOTHENATE'
p7119
S'CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]'
p7120
sS'3-OXOGLYCYRRHETINATE'
p7121
S'CC5(C(CCC2(C(CCC3(C)(C4(C)(CCC1(CCC(C)(C([O-])=O)CC1C(=CC(=O)C23)4)(C))))5)(C))=O)(C)'
p7122
sS'CALCIDIOL'
p7123
S'C=C1(CCC(O)CC1=CC=C2(CCCC3(C)([CH](C(CCCC(O)(C)C)C)CC[CH]23)))'
p7124
sS'CPD-10388'
p7125
S'CCC1(C(NC(C(=O)[O-])C(C)C(NC(C(C)C)C(NC(C(C(NC(C(=O)[O-])CCC(N(C)1)=O)=O)C)CCC(C)CC(C)C(CC2(C=CC=CC=2))OC)=O)=O)=O)'
p7126
sS'QUININE'
p7127
S'C=CC4(C[N+]3(CCC(CC(C(O)C1(=CC=NC2(=CC=C(C=C12)OC)))3)4))'
p7128
sS'CPD-7280'
p7129
S'CC(C=CC=C(C)C=CC12(OC(CC(O)CC(C)(C)1)2))=CC=CC=C(C)CC=O'
p7130
sS'OXIDIZED-CYPRIDINA-LUCIFERIN'
p7131
S'CCC(C)C(=O)NC1(=NC=C(N=C(CCCNC(=[N+])N)1)C2(=CNC3(C=CC=CC2=3)))'
p7132
sS'DGDP'
p7133
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p7134
sS'PROGESTERONE'
p7135
S'CC(=O)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p7136
sS'3-NITROBENZYL-ALCOHOL'
p7137
S'C(C1(=CC(=CC=C1)[N+](=O)[O-]))O'
p7138
sS'CPD-8124'
p7139
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](=S)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))'
p7140
sS'CPD-5881'
p7141
S'CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))'
p7142
sS'2-FLUOROBENZOATE'
p7143
S'C(C1(=CC=CC=C(F)1))(=O)[O-]'
p7144
sS'CPD-16928'
p7145
S'CC(C)=C1(CCC(C)=CCCC(C)=CCCC(=CC1)C)'
p7146
sS'NADPH'
p7147
S'C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(CC=5)C(=O)N)'
p7148
sS'DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE'
p7149
S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p7150
sS'CPD-7858'
p7151
S'CCC3(C[N+]4(CCC2(C1(C=CC=CC=1NC=2C(CC(C3)C4)(C(=O)OC)C9(C(OC)=CC8(N(C5(C7(C6(C(C(C5(C(OC)=O)O)OC(=O)C)(CC)C=CC[N+]6CC7))(C=8C=9)))C))))))O'
p7152
sS'CPD-7859'
p7153
S'CCC4(=CC5(C[N+]3(CCC2(C1(C=CC=CC=1NC=2C(C34)(C5)C(=O)OC)))))'
p7154
sS'CPD-7856'
p7155
S'CC(C=CC=C(C=CC1(C(CC=CC=1C)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C=CCC2(C)C)C)'
p7156
sS'CPD-7854'
p7157
S'CC(C=CC=C(C=CC1(C(CC=C(C=1C)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(=CCC2(C)C)O)C)'
p7158
sS'CPD-7852'
p7159
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(CC2(C)C)O)C)'
p7160
sS'CPD-7853'
p7161
S'CC(C=CC=C(C=CC1(C(CCC(C=1C)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)O)C)'
p7162
sS'CPD-7850'
p7163
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)'
p7164
sS'CPD-7851'
p7165
S'CC(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)=O)C)'
p7166
sS'HYDROXYBENZOQUINONE'
p7167
S'C1(=CC(=O)C([O-])=CC(=O)1)'
p7168
sS'N-ACETYL-TRYPTOPHAN'
p7169
S'CC(=O)NC(CC2(C1(C=CC=CC=1NC=2)))C(=O)[O-]'
p7170
sS'CPD-12356'
p7171
S'CC(CO)=C[CH]1(C(CC3(C2(C1=CC=CC=2NC=3)))[N+]C)'
p7172
sS'CPD-12357'
p7173
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p7174
sS'CPD-12354'
p7175
S'CC12(CCCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))'
p7176
sS'CPD-12355'
p7177
S'CC12(C(CCC3(OC1=O)([CH]2C(C45(CC(CC[CH]34)C(O)(C5)CO))C([O-])=O))O)'
p7178
sS'CPD-12352'
p7179
S'CC(C)=CCC1(=CC=CC2(=C1C(=CN2)CC(NC)C(=O)[O-]))'
p7180
sS'CPD-12353'
p7181
S'CC15(CCCC(C(C(C24(CC(CCC12)C3(OC3)(C4)))C([O-])=O)5)(C)C([O-])=O)'
p7182
sS'CPD-12350'
p7183
S'C=C3(C2(CCC4(C15(CC(C(C(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)O)O))))'
p7184
sS'CPD-12351'
p7185
S'CC12(C(CCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))O)'
p7186
sS'NMNH'
p7187
S'C1(=C(CC=CN1C2(OC(COP(=O)([O-])[O-])C(O)C(O)2))C(N)=O)'
p7188
sS'1-ALKYL-2-ARACHIDONYL-SN-GLYCERO-3-PETH'
p7189
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(COP([O-])(=O)OCC[N+])CO[R]'
p7190
sS'CPD-12359'
p7191
S'C[N+]4(CC(C(=O)[O-])=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p7192
sS'CPD-10269'
p7193
S'CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7194
sS'CPD-10267'
p7195
S'CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7196
sS'CPD-10260'
p7197
S'CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p7198
sS'CPD-10262'
p7199
S'CCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p7200
sS'CPD-10263'
p7201
S'CC(C)=CCCC(C)=CCCC(C)C1(C)(CCC2(=C1CC[CH]3(C(C)2CCC(O)C(C)(C)3)))'
p7202
sS'PURINE-RING'
p7203
S'C2(=NC=NC1(N=CNC=12))'
p7204
sS'CPD-9821'
p7205
S'CCCCCCCCCCCCCCCCCCC(NC(C(CCCCC=CCCCCCCCCC)O)CO)=O'
p7206
sS'CPD-9820'
p7207
S'CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCC=CCCCCCCCCC'
p7208
sS'CPD-4503'
p7209
S'CC(N1(CCN(CC1)C2(=CC=C(C=C2)OCC5(COC(CN3(C=CN=C3))(C4(=CC=C(C=C4Cl)Cl))O5))))=O'
p7210
sS'CPD-4505'
p7211
S'CCCCCCCCCCCCC[N+]1(CC(OC(C1)C)C)'
p7212
sS'CPD-9824'
p7213
S'CCCCCCCCCCCCCCCCCC(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p7214
sS'CPD-4507'
p7215
S'C(CCCCCNS(C2(C=CC=C1(C(C=CC=C1Cl)=2)))(=O)=O)[N+]'
p7216
sS'CPD-9826'
p7217
S'C=CC4(CN3(CCC(CC(C(=O)C2(=CC=NC1(=C(C=CC=C1)2)))3)4))'
p7218
sS'N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D'
p7219
S'CC(=O)NC3(C(O)C(O)C(CO)OC(OC2(C(O)C(O)C(CO)OC(OC1(C(O)C(CO)OC(O[R])C(O)1))2))3)'
p7220
sS'CPD-220'
p7221
S'C(NC(N)=[N+])CCC([N+])C([O-])=O'
p7222
sS'CPD-16591'
p7223
S'CCC(S)CC([O-])=O'
p7224
sS'CPD0-1426'
p7225
S'CC2(C(=CC=C[N+](CC1(=CN=C(C)N=C1N))=2)CCOP(=O)([O-])[O-])'
p7226
sS'NICOTINAMIDE_RIBOSE'
p7227
S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p7228
sS'CPD0-1931'
p7229
S'C2(N=C1(C=CNC(=O)N1C=2))'
p7230
sS'8-APO-BETA-CAROTENOL'
p7231
S'CC(=CC=CC=C(C)C=CC=C(C)CO)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)'
p7232
sS'PELARGONIDIN-CMPD'
p7233
S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)'
p7234
sS'3-HYDROXYCYCLOHEXANONE'
p7235
S'C1(CC(=O)CC(O)C1)'
p7236
sS'CPD-13756'
p7237
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p7238
sS'CPD-13009'
p7239
S'C(C(CC1(=CC(I)=C(C=C1)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p7240
sS'CPD-13008'
p7241
S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O'
p7242
sS'CPD0-1681'
p7243
S'C=C(C(=O)[O-])OC1(C=C(C=CCC1)C(=O)[O-])'
p7244
sS'CPD-13001'
p7245
S'CCC3(C[N+]4(CCC2(C1(C=CC=CC=1NC=2C(CC(C=3)C4)(C(=O)OC)C9(C(OC)=CC8(N(C5(C7(C6(C(C(C5(C(OC)=O)O)OC(=O)C)(CC)C=CC[N+]6CC7))(C=8C=9)))C))))))'
p7246
sS'CPD0-1686'
p7247
S'CC=C(C)C=CC=CC(C(C)C(C(C)CCC2(=C(C)C(C1(C(=CC(=C(C=1O2)O)OC)OC))=O))OC)OC'
p7248
sS'CPD-13003'
p7249
S'CCCCCCCC=C[CH]=O'
p7250
sS'ASPARAGUSATE'
p7251
S'C1(C(C([O-])=O)CSS1)'
p7252
sS'CPD-13004'
p7253
S'CCC(C)C(C(NC(CC1(=CN=CN1))C(N4(CCCC(C(NC(C(NC(CC2(=CNC=N2))C(NC(CC(C)C)C([O-])=O)=O)=O)CC3(C=CC=CC=3))=O)4))=O)=O)NC(C(CC5(C=CC(=CC=5)O))NC(C(C(C)C)NC(C(CCCNC(=[N+])N)NC(C(CC(=O)[O-])[N+])=O)=O)=O)=O'
p7254
sS'ETHACRYNATE'
p7255
S'CCC(C(=O)C1(=C(Cl)C(Cl)=C(OCC([O-])=O)C=C1))=C'
p7256
sS'CPD-15861'
p7257
S'CC(C)(COP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(OC1(C(O)C(O)C(COP(=O)([O-])OCC(N[[an'
p7258
sS'CPD-14629'
p7259
S'CCC2(OC(=O)C=C[CH]1(C=C[CH]3(CC(O)C[CH]([CH]1C=CC(=O)C(C)C(CCC2)O)3)))'
p7260
sS'CPD0-1938'
p7261
S'CC[N+]3(C1(=C(C=CC(N)=C1)C4(C(C(C2(=CC=CC=C2))=3)=CC(N)=CC=4)))'
p7262
sS'CPD0-1939'
p7263
S'CCOC1(=CC=C(C=C1)C2(=NC3(=C(N2)C=C(C=C3)C4(NC5(C=C(C=CC(N=4)=5)N6(CCN(C)CC6))))))'
p7264
sS'24-DICHLOROBENZOYL-COA'
p7265
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CC=C(C=C1Cl)Cl))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p7266
sS'CPD-15432'
p7267
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(NC(=O)C)3))NC(C)=O))C)C)C)C)C)C)C'
p7268
sS'CPD-18002'
p7269
S'CCCCCCC(C)CC=CCCCCCC(=O)[O-]'
p7270
sS'CPD-18003'
p7271
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p7272
sS'CPD-18004'
p7273
S'CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O'
p7274
sS'CPD-18005'
p7275
S'CC(C)=CC=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(C(C)(C)O)CC=C(C)C)C)C'
p7276
sS'CPD-18006'
p7277
S'CC(C)=CC=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CC=C(C)C)C)C'
p7278
sS'CPD-18007'
p7279
S'CC(C)=CCC(C=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(C(C)(C)O)CC=C(C)C)C)C)C(C)(C)O'
p7280
sS'CPD-18008'
p7281
S'CC(C)=CCC(C=CC(=CC=CC(=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CC=C(C)C)C)C)C(C)(C)O'
p7282
sS'CPD-15346'
p7283
S'CC(C)CC(=O)OC1(C(O)C(CO)OC(C(O)1)OC2(C(O)C(O)C(OC(CO)2)OC3(C=CC(=CC=3)CC6(C(=O)N[CH](C(O)[CH]4(C[N+]=C(N)N4))C(=O)N[CH](C(=O)NC(CO)C(=O)NCC(=O)N[CH](C(C)C5(C=CC=CC=5))C(=O)N6)C(O)[CH]7(C[N+]=C(N)N7C8(C(O)C(O)C(C(O)O8)O))))))'
p7284
sS'CPD-17852'
p7285
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C'
p7286
sS'CPD-17853'
p7287
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C'
p7288
sS'CPD-17850'
p7289
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C'
p7290
sS'CPD0-1689'
p7291
S'CCCCCCCCCCCC1(=C(C)C(C2(C(C(=O)1)=CC=CC=2))=O)'
p7292
sS'CPD-17856'
p7293
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C'
p7294
sS'CPD-17854'
p7295
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C'
p7296
sS'CPD-17855'
p7297
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C'
p7298
sS'CPD-12420'
p7299
S'C(OC(C1(C=CC=CC=1))=O)CCCC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p7300
sS'CPD-17858'
p7301
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p7302
sS'CPD-15714'
p7303
S'C(C2(OC(OC1(C(O)C(CO)(O)OCC(O)1))C(C(C2O)O)O))O'
p7304
sS'CPD-12421'
p7305
S'C=CC(OC(C1(C=CC=CC=1))=O)CC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p7306
sS'CPD-15983'
p7307
S'C(OP([O-])(=O)[O-])C2(OC(OC1(C(O)C(O)C(O)OC(CO)1))C(O)C(O)C(O)2)'
p7308
sS'CPD-15980'
p7309
S'C(C(C(C(C(COP([O-])(=O)[O-])O)O)O)O)=O'
p7310
sS'CPD-12422'
p7311
S'COC2(=C(O)C(OC)=CC(C=CC(OCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1))=O)=C2)'
p7312
sS'CPD-2184'
p7313
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p7314
sS'CPD-12423'
p7315
S'C=CC(OC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))CC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p7316
sS'ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA'
p7317
S'CC(=O)NC3(C(O)CC(OC(CO)C(O)C1(OC(CC(O)C(NC(C)=O)1)(OC2(C(O)C(CO)OC(O[R])C(O)2))C(=O)O))(OC(C(O)C(O)CO)3)C(=O)O)'
p7318
sS'INDOLE_ACETATE_AUXIN'
p7319
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p7320
sS'CPD-17148'
p7321
S'CCC(CC(C)C(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=CC=2)))C'
p7322
sS'CPD-18507'
p7323
S'CC(C)C(=O)OC2(CC1(COC(=O)C)(C4(C(OC(=O)C)C(O)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p7324
sS'CPD-6622'
p7325
S'COC3(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)CO)O)O)O))OC))=O)O)=CC=C(O)3)'
p7326
sS'CPD-6623'
p7327
S'COC4(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)CO)O)O)O))OC))=O)O)=CC=C(OC3(OC(C(C(C3O)O)O)CO))4)'
p7328
sS'CPD-1901'
p7329
S'CC2(C=C(O)C3(C(=O)C1(C(OC)=CC(=O)C=C(C(OC)=O)1)OC(C=2)=3))'
p7330
sS'5-IODOPENTAPHOSPHONATE'
p7331
S'C(P(O)([O-])=O)CCCI'
p7332
sS'CPD-1907'
p7333
S'CC2(=CC(O)=C1(C(=O)C3(OC1=C2)(C(OC)=CC(=O)C=C(C(OC)=O)3)))'
p7334
sS'CPD-6624'
p7335
S'COC4(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)CO)O)O)O))O)O)O))OC))=O)O)=CC=C(O)4)'
p7336
sS'CPD-6625'
p7337
S'COC5(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)CO)O)O)O))O)O)O))OC))=O)O)=CC=C(OC4(OC(C(C(C4O)O)O)CO))5)'
p7338
sS'CPD-1908'
p7339
S'CC1(C)(C2(CC(O)C(C)1CC2))'
p7340
sS'CPD-8880'
p7341
S'CC(CC(C1(C=CC=CC=1))=O)=O'
p7342
sS'CPD-8881'
p7343
S'CC(CC(OC1(C=CC=CC=1))=O)=O'
p7344
sS'CPD0-1042'
p7345
S'CN3(C(=O)C2(=C(N(C1(C(O)C(O)C(CO)O1))C=N2)N=C3))'
p7346
sS'CPD-10821'
p7347
S'C(Cl)(=O)C=C([O-])C=CC(=O)[O-]'
p7348
sS'CPD0-1045'
p7349
S'C3(=NC(C2(=NN=C(C1(OC(CO)C(O)C(O)1))C2=N3))=O)'
p7350
sS'CPD-8886'
p7351
S'[Sr++]'
p7352
sS'CPD-8887'
p7353
S'[CH]([CH]=O)=O'
p7354
sS'CPD-15182'
p7355
S'CC2(C1(C(CCC([O-])=O)C(C)(C)C6([N+]=1[Co--]58(N3([CH](C(C(CCC([O-])=O)(C)C=23)CC([O-])=O)C4(C)(C(C)(CC([O-])=O)C(CCC(=O)[O-])C(=[N+]45)C(=C7([N+](=C(C=6)C(C(C)(CC(N)=O)7)CCC([O-])=O)8))C))))))'
p7356
sS'CPD0-1049'
p7357
S'CCCCCCCCOC1(OC(C(C(C1O)O)O)COC2(C(C(C(O2)C(CO)O)O)O))'
p7358
sS'CPD-15181'
p7359
S'C(C=CC([N+]([O-])=O)=CC(=O)C(=O)[O-])(=O)[O-]'
p7360
sS'CPD-15186'
p7361
S'CC5(C(C(C4(CCC6(C1(C)([CH](C3([CH](CC1)C(CO)(C)C(OC2(C(O)C(O)C(O)C(C(=O)[O-])O2))CC3)C)CC=C([CH]4C5)6))C)(C))O)O)(C)'
p7362
sS'CPD-15187'
p7363
S'CC5(CC(C4(CCC6(C1(C)([CH](C3([CH](CC1)C(CO)(C)C(OC2(C(O)C(O)C(O)C(C(=O)[O-])O2))CC3)C)CC=C([CH]4C5)6))C)(C))=O)(C)'
p7364
sS'CPD-15184'
p7365
S'CC(C(=O)[O-])NC(C(OC1(C(NC(=O)C)C(O)OC(CO)C(O)1))C)=O'
p7366
sS'CPD-8767'
p7367
S'C=C1(C(C)(C)C2(CC1CC2))'
p7368
sS'CO-A'
p7369
S'CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7370
sS'CPD-10825'
p7371
S'CC1(=C(OC(C1)=O)CC(=O)[O-])'
p7372
sS'BILIRUBIN'
p7373
S'C=CC1(=C(C(NC1=CC2(=C(C(=C(N2)CC3(NC(=C(C=3CCC(=O)[O-])C)C=C4(NC(C(=C4C)C=C)=O)))CCC(=O)[O-])C))=O)C)'
p7374
sS'ACETYLMURAMYL-ALANYL-ISOGLUTAMINE'
p7375
S'CC(NC(C(C)OC1(C(NC(C)=O)C(OC(CO)C1O)O))=O)C(NC(C(N)=O)CCC([O-])=O)=O'
p7376
sS'CPD-15195'
p7377
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=CC(OC)=C(N)1)O)'
p7378
sS'CPD-16535'
p7379
S'C5(C(C4([O+]=C1(C(C([O-])=CC([O-])=C1)=CC(OC3(OC(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))3)CO))=4)))=CC(O)=C(O)C=5)'
p7380
sS'CPD-12510'
p7381
S'CC5(NC4(C=CC3(=C(C=C(CNC2(C=C1(C(C(=O)N(C(C([O-])=O)CCC(=O)[O-])C1)=CC=2)))C=C3)C=4C(=O)N=5)))'
p7382
sS'CPD-15231'
p7383
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(C[N+]C)CCC([N+])1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p7384
sS'CPD-15232'
p7385
S'CC[N+]C3(CC([N+])C(OC1(OC(C[N+])=CCC([N+])1))C(O)C(OC2(C(O)C([N+]C)C(C)(O)CO2))3)'
p7386
sS'CPD-15233'
p7387
S'C(ON)C1(C=CC(Br)=C(O)C=1)'
p7388
sS'CPD-12514'
p7389
S'C3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C(O)3)'
p7390
sS'CPD-12515'
p7391
S'C1(O)(C(O)C(OC(C(=O)[O-])C(O)1)O)'
p7392
sS'CPD-15236'
p7393
S'C1(C(C(C(C(C1O)=O)O)=O)O)O'
p7394
sS'CPD-901'
p7395
S'CC(=O)O[Hg]C1(C=CC=CC=1)'
p7396
sS'CPD-12518'
p7397
S'C1(O)(C(O)C(OS(=O)(=O)[O-])C(OC(C(=O)[O-])1)O)'
p7398
sS'CPD0-1377'
p7399
S'C(O)C(C(=O)N)[N+]'
p7400
sS'CPD-17575'
p7401
S'C1(CCC(C(C1)[N+](=O)[O-])=O)'
p7402
sS'CYCLOHEXA-15-DIENE-1-CARBONYL-COA'
p7403
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(=CCCC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p7404
sS'CPD-7682'
p7405
S'C(C1(CCCC=N1))([O-])=O'
p7406
sS'CPD-7684'
p7407
S'C(CCCC(C(NC1(C=CC(=CC=1)[N+](=O)[O-]))=O)[N+])[N+]'
p7408
sS'CPD-16529'
p7409
S'COC1(=C(O)C=CC(=C1)C=CC(=O)OCC2(C(O)C(O)C(O)C(O2)OCC4(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))C(O4)OC6(C(C5(=CC=C(O)C(O)=C5))=[O+]C7(C(C=6)=C([O-])C=C([O-])C=7)))))'
p7410
sS'CPD-16528'
p7411
S'COC1(=CC(=CC(OC)=C(O)1)C=CC(=O)OCC2(C(O)C(O)C(O)C(O2)OCC4(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))C(O4)OC6(C(C5(=CC=C(O)C(O)=C5))=[O+]C7(C(C=6)=C([O-])C=C([O-])C=7)))))'
p7412
sS'CPD-17571'
p7413
S'C([N+]([O-])=O)CC([N+]([O-])=O)CCC([O-])=O'
p7414
sS'OXAMATE'
p7415
S'C(C([O-])=O)(=O)N'
p7416
sS'CPD-16526'
p7417
S'C([N+])C(O)P([O-])(O)=O'
p7418
sS'CPD-16521'
p7419
S'CC1(C2(=C(C=C(OC)C=1)C(=C(O)C=C2)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]))'
p7420
sS'CPD-16520'
p7421
S'CC6(=CC(=CC1(=C(C=CC(=C1C(=O)OC4(C=C3(C#CC5([CH]2(COC(=O)O2))([CH](C#CC=C3C4O)O5))))O)6))OC)'
p7422
sS'CPD-16523'
p7423
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=C(O)C=1))C)C)C)C)C)C)C)C)C'
p7424
sS'CPD-9223'
p7425
S'CCC(C(NC1(C(N2(C(C(=O)[O-][K+])C(C)(C)SC12))=O))=O)OC3(C=CC=CC=3)'
p7426
sS'CPD-9222'
p7427
S'CC(C(NC1(C(N2(C(C(=O)[O-])C(C)(C)SC12))=O))=O)OC3(C=CC=CC=3)'
p7428
sS'CPD-9593'
p7429
S'CCCC=CCC=CCCCCCCCC1(C(=C(C=CC=1)O)O)'
p7430
sS'CPD-9220'
p7431
S'CC2(C)(C(C(=O)[O-])N1(C(C(C1S2)NC(C3(C(=CC=CC=3OC)OC))=O)=O))'
p7432
sS'CPD0-1457'
p7433
S'C(OP([O-])(=O)[O-])CO'
p7434
sS'CPD-9226'
p7435
S'CC2(=C(C(C1(C(=CC=CC=1Cl)Cl))=NO2)C(NC3(C(N4(C(C(=O)[O-])C(C)(C)SC34))=O))=O)'
p7436
sS'CPD0-1455'
p7437
S'CCCCCCSCC(C(=O)NCC(=O)[O-])NC(=O)CCC([N+])C([O-])=O'
p7438
sS'CPD-9596'
p7439
S'CC(C(NC(CC2(C1(C(=CC=CC=1)NC2=O)))=O)C([O-])=O)C'
p7440
sS'CPD-12635'
p7441
S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p7442
sS'CPD-12634'
p7443
S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C(NCC([O-])=O)=O)C2(=CNC1(=CC=CC=C12))'
p7444
sS'CPD-9229'
p7445
S'CC(=O)OCC1(CSC2(C(C(N(C(C(=O)[O-])=1)2)=O)NC(CC3(=CC=CS3))=O))'
p7446
sS'CPD-9228'
p7447
S'C1(C=C[N+](=CC=1)CC2(CSC3(C(C(N(C(C(=O)[O-])=2)3)=O)NC(CC4(=CC=CS4))=O)))'
p7448
sS'CPD-12630'
p7449
S'C(O)C2(OC(OC(C1(C=CC=CC=1))=O)C(O)C(O)C(O)2)'
p7450
sS'CPD-12632'
p7451
S'CC=CC=CC=CCCCCCCCCC1(=C(O)C(O)=CC(=C1)C(C=CC=CC=CC)CCCCCCCC2(C(O)=C(O)C=CC=2))'
p7452
sS'CPD-8013'
p7453
S'CC1(C(O)C(O)C(O)C(O1)OC3(C(=O)C4(C(O)=CC([O-])=CC(OC(C2(=CC=C(O)C(=C2)O))=3)=4)))'
p7454
sS'CPD-10859'
p7455
S'C(=O)C1(C=C(Cl)C=CC(Cl)=1)'
p7456
sS'CPD-10858'
p7457
S'C(O)C1(C=C(Cl)C=CC(Cl)=1)'
p7458
sS'1F2INDANONE'
p7459
S'C(C1(C(CC2(=CC=CC=C12))=O))=O'
p7460
sS'CPD-16371'
p7461
S'CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p7462
sS'CPD-10853'
p7463
S'CC(=C(C([O-])=O)Cl)C=C(C([O-])=O)Cl'
p7464
sS'PHENOL-PHOSPHATE'
p7465
S'C1(C=CC(=CC=1)OP(=O)([O-])[O-])'
p7466
sS'CPD-10851'
p7467
S'CC1(=C(Cl)C(=O)OC(C(Cl)C([O-])=O)1)'
p7468
sS'CPD-10850'
p7469
S'CC1(=C(Cl)C(C(Cl)C([O-])=O)OC(=O)1)'
p7470
sS'CPD-10857'
p7471
S'CC1(C=C(Cl)C(O)C(O)C(Cl)=1)'
p7472
sS'CPD-10856'
p7473
S'CC1(C(O)C(O)C(Cl)=CC(Cl)=1)'
p7474
sS'CPD-10855'
p7475
S'CC1(C=C(Cl)C(O)=C(O)C(Cl)=1)'
p7476
sS'CPD-10854'
p7477
S'CC1(=C(O)C(O)=C(Cl)C=C(Cl)1)'
p7478
sS'CPD-7535'
p7479
S'CC(=CCCC(C)=CCCC(C)=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C'
p7480
sS'CPD1G-120'
p7481
S'C(O)C2(C(C(C(NC(=O)C([N+])CS)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)O)O)'
p7482
sS'CPD1G-121'
p7483
S'CC(=O)NC(CSC=O)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p7484
sS'ANTHRANILATE'
p7485
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p7486
sS'CPD-3734'
p7487
S'[O-]P([O-])(O)=S'
p7488
sS'CPD-9047'
p7489
S'CC8(C5(=[N+]7([Co--]13(N6(C(C(C(C(=CC2(C(C(CCC(=O)[O-])=C([N+]1=2)CC4(C(=C(CCC(=O)[O-])C(N34)=C5)CC([O-])=O)C)(CC(=O)[O-])C))6)CCC([O-])=O)(CC(=O)[O-])C)C7=C(CC(=O)[O-])8)))))CCC(=O)[O-]'
p7490
sS'CPD-9046'
p7491
S'C1(=NC=CC(=C1)SSC2(C=CN=CC=2))'
p7492
sS'CPD-9045'
p7493
S'CC2(C1(C(CCC([O-])=O)=C(C)C6(C)([N+]=1[Co--]58([N+]3([CH](C(C(CCC([O-])=O)(C)C2=3)CC([O-])=O)C4(C)(C(C)(CC([O-])=O)C(CCC(=O)[O-])C([N+]45)=C(C7(=[N+](C(C6)=C(C(C)(CC([O-])=O)7)CCC([O-])=O)8))C))))))'
p7494
sS'CPD-9044'
p7495
S'CC8(CCC([O-])=O)(C(CC([O-])=O)[CH]5([N+]2(=C(C=C1(C(CCC([O-])=O)=C(CC(=O)[O-])C3(C)(N1[Co--]72([N+]4(C(C3)=C(C(C)(CC([O-])=O)C=4C=C6(C(C(C5(C)N67)(C)CC([O-])=O)CCC(=O)[O-]))CCC([O-])=O)))))8)))'
p7496
sS'CPD-12187'
p7497
S'COC1(C=C(C=CC=1O)C=CC(=CC(=O)C=CC2(C=CC(O)=CC=2))O)'
p7498
sS'CPD-12186'
p7499
S'CN1(C=NC(=C1)CC(C(=O)[O-])NC(CC[N+])=O)'
p7500
sS'CPD-9041'
p7501
S'CC2(OC(=O)CC9(C)(C(CCC(=O)[O-])C1(=CC6(=[N+]5([Co--]34(N1C2(C8([N+]3=C(CC7(N4C(CC5=C(CCC(=O)[O-])C(C)(CC(=O)[O-])6)=C(CC(=O)[O-])C(CCC(=O)[O-])=7))C(C)(CCC(=O)[O-])C(CC(=O)[O-])=8))9))))))'
p7502
sS'CPD-9040'
p7503
S'CC4(C7(N8([Co--]25([N+]1(C(=C(CCC(=O)[O-])C(CC(=O)[O-])C=1C=C3(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C(N23)=CC6(C(CCC(=O)[O-])C(C=4[N+]5=6)(C)CC([O-])=O)))CC(=C(CCC(=O)[O-])C(CC(=O)[O-])=7)8)))))'
p7504
sS'CPDQT-235'
p7505
S'C(O)C1(C(C(O)C(O)C(O1)OC2(C(O)C(C(O)C(O)C(O)2)O))O)'
p7506
sS'CPD-12189'
p7507
S'CCCCCCCCC=CCCCCCCCCCC(=O)[O-]'
p7508
sS'CPD-12188'
p7509
S'C1(C=C(C=CC=1C=CC(=CC(=O)C=CC2(C=CC(O)=CC=2))O)O)'
p7510
sS'CPD-3739'
p7511
S'C(CC([N+])C(=O)[O-])S(=O)(=O)[O-]'
p7512
sS'CPD-9049'
p7513
S'CC6(=C7(C(C([CH]8(C2([N+]1([Co--]3([N+]5(C(=CC4(C(CCC(=O)[O-])C(C(=C(C)C=1C(CCC([O-])=O)C(CC(=O)[O-])(C)2)[N+]3=4)(CC(=O)[O-])C))C(C(CCC(=O)[O-])C=56)(C)C))N78))C))CC(=O)[O-])(C)CCC(=O)[O-]))'
p7514
sS'CPD-9048'
p7515
S'CC6(C7(C(C([CH]8(C2(N1([Co--]4([N+]3(=C(C=C1C(CCC([O-])=O)C(CC(=O)[O-])(C)2)C(C(CCC(=O)[O-])=C3CC5(C(=C(CCC(=O)[O-])C(=[N+]45)6)C)C)(CC(=O)[O-])C))[N+]=78))C))CC(=O)[O-])(C)CCC(=O)[O-]))'
p7516
sS'CPD-10402'
p7517
S'CC3(C4(=NC(C(NCC1(=NC(=CS1)C(NC(C2(=NC(=CS2)C(N3)=O))CCSC)=O))=O)=C(C)O4))'
p7518
sS'4-DIMETHYLAMINOPHENYLAZOXYBENZENE'
p7519
S'CN(C1(C=CC(=CC=1)N=N(=O)C2(C=CC=CC=2)))C'
p7520
sS'CPD-3738'
p7521
S'C(CC(NC(=O)[O-])C(=O)[O-])SC'
p7522
sS'CPD-13055'
p7523
S'C2(=C(C([O-])=O)C1(C(N=C(N)NC=1N2C3(C(C(C(CO)O3)O)O))=O))'
p7524
sS'DIHYDROSTREPTOMYCIN-6-PHOSPHATE'
p7525
S'CC2(OC(C(OC1(OC(C(O)C(O)C([N+]C)1)CO))C(O)(CO)2)OC3(C(O)C(OP([O-])(=O)[O-])C(NC(=[N+])N)C(O)C(NC(=[N+])N)3))'
p7526
sS'S-SCOULERINE'
p7527
S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p7528
sS'HYALURONATE'
p7529
S'CC(=O)NC2(C(O)C(O)C(CO)OC(OC1(C(O)C(O)C(O)OC(C(=O)[O-])1))2)'
p7530
sS'112-TRICHLOROETHANE'
p7531
S'C(C(Cl)Cl)Cl'
p7532
sS'2-O-ALPHA-MANNOSYL-D-GLYCERATE'
p7533
S'C(O)C1(OC(OC(CO)C(=O)[O-])C(O)C(O)C(O)1)'
p7534
sS'ISOBUTYRAMIDE'
p7535
S'CC(C)C(N)=O'
p7536
sS'CPD-17698'
p7537
S'COC2(=C(O)C(OC)=CC(C=CC(NCCCC[N+]CCCNC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))=O)=C2)'
p7538
sS'CPD-17699'
p7539
S'C([N+]CCCNC(=O)C=CC1(C=CC(O)=CC=1))CCCNC(=O)C=CC2(C=CC(O)=CC=2)'
p7540
sS'CPD-17694'
p7541
S'C=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7542
sS'CPD-17696'
p7543
S'CC%10(CCC1(O[CH]9([CH](C(C)1)C8(C)([CH]([CH]7([CH](C6(C)([CH](CC(OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC2(OCC(O)C(O)C(O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))4))C(O)C(O)5))CC6)CC7))CC8))C9)))(NC%10))'
p7544
sS'CPD-17697'
p7545
S'CC6(CCC1(O[CH]5([CH](C(C)1)C4(C)([CH]([CH]3([CH](C2(C)([CH](CC(O)CC2)CC3))CC4))C5)))(NC6))'
p7546
sS'CPD-17690'
p7547
S'[CH]#CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(OC)=CC(=O)N1(C(C)C=CC(=O)1)'
p7548
sS'CPD-17691'
p7549
S'C=CCCCC(=CCl)CCC(C)C=CCCC(=O)NCCC(OC)=CC(=O)N1(C(C)C=CC(=O)1)'
p7550
sS'CPD-17692'
p7551
S'C#CCCCCC(C)CC(C)C(N(C(C(NC(C)C(=O)N(C(C(N(C)C(C(N)=O)CC1(C=CC(OC)=CC=1))=O)C)C)=O)CC2(C=CC=CC=2))C)=O'
p7552
sS'CPD-17693'
p7553
S'C#CCCCC([O-])=O'
p7554
sS'CPD-13588'
p7555
S'CCOS(=O)([O-])=O'
p7556
sS'CPD-13589'
p7557
S'CC(CC)[Hg+]'
p7558
sS'CPD-13584'
p7559
S'[C-]#N'
p7560
sS'CPD-13585'
p7561
S'C(=O)([O-])C([N+])C1(CC1)'
p7562
sS'CPD-13586'
p7563
S'CC1(C(CCO)=CC=C[N+]=1CC2(C(=NC(=NC=2)C)N))'
p7564
sS'CPD-13587'
p7565
S'CC1(C(CCO)=CC=C[N+]=1CC2(C(=NC(=NC=2)C)O))'
p7566
sS'SACCHAROPINE'
p7567
S'C(CC[N+]C(CCC([O-])=O)C([O-])=O)CC([N+])C([O-])=O'
p7568
sS'CPD-11729'
p7569
S'C(O)P([O-])(O)=O'
p7570
sS'CPD-11726'
p7571
S'C(=O)CCS(=O)([O-])=O'
p7572
sS'CPD-11727'
p7573
S'C([O-])(=O)CCS(=O)([O-])=O'
p7574
sS'CPD-11724'
p7575
S'C([O-])(=O)CC(C(=O)[O-])OC(=O)C=CC1(C=CC(O)=C(O)C=1)'
p7576
sS'CPD-11725'
p7577
S'C([N+])CCS(=O)([O-])=O'
p7578
sS'CPD-14004'
p7579
S'CC2(C(C)=C(S[a'
p7580
sS'CPD-14005'
p7581
S'C([O-])(=O)C=CC1(C=CC(O)=CC(O)=1)'
p7582
sS'CPD-14000'
p7583
S'C=CC(CCC=C(C)C=O)(O)C'
p7584
sS'CPD-11518'
p7585
S'CCC=CCC4(C(=O)CCC(CCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p7586
sS'CPD-8318'
p7587
S'CCCCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p7588
sS'CPD-8319'
p7589
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p7590
sS'CPD-17072'
p7591
S'CC(=C3(C(NC(CC1(C2(C(NC=1)=CC=CC=2)))C3=O)=O))[O-]'
p7592
sS'GAMMA-BUTYROBETAINYL-COA'
p7593
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7594
sS'CPD-17074'
p7595
S'C2(OC(O)C(=C(C1(C=CC=CC=1))2)CC3(C=CC=CC=3))(=O)'
p7596
sS'CPD-9619'
p7597
S'COC2(C(=C(C1(C(=O)C3(C(O)=CC=C(C(C(=O)C=1C=2)=3)O)))OC)[O-])'
p7598
sS'CPD-8310'
p7599
S'CCCCCCCCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p7600
sS'CPD-17079'
p7601
S'COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(C([O-])=O)2)C=C(C=CC([O-])=O)C=C(OC)3)))'
p7602
sS'CPD-8312'
p7603
S'CCCCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCC=CCCCCCCCC)=O'
p7604
sS'CPD-3521'
p7605
S'COC3(C=C(C2(=C(OC=C(C1(C=CC(O)=CC=1))C(=O)2)C=3))O)'
p7606
sS'CPD-8314'
p7607
S'CCCCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p7608
sS'CPD-8315'
p7609
S'CCCCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p7610
sS'CPD-8316'
p7611
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p7612
sS'1-O-GALLOYL-BETA-D-GLUCOSE'
p7613
S'C1(C(O)=C(O)C(O)=CC=1C(=O)OC2(OC(CO)C(O)C(O)C(O)2))'
p7614
sS'PROPANOL'
p7615
S'CCCO'
p7616
sS'KDO2-LAUROYL-LIPID-IVA'
p7617
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))'
p7618
sS'2-METHYL-ACETO-ACETYL-COA'
p7619
S'CC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C(=O)C'
p7620
sS'PHLORETIN'
p7621
S'C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O)'
p7622
sS'CPD-7996'
p7623
S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(O)CC3(C=CC=CC=3)))'
p7624
sS'2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA'
p7625
S'C(C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(=C(C=2)O)O))=O))([O-])=O'
p7626
sS'CPD-7994'
p7627
S'C[N+]1(CCCC=1)'
p7628
sS'CPD-7993'
p7629
S'C[N+]CCCC=O'
p7630
sS'CPD-7992'
p7631
S'C(CCCCC[N+])[N+]'
p7632
sS'CPD-7991'
p7633
S'CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7634
sS'CPD-7990'
p7635
S'C([N+])CCCC(C(F)F)([N+])C([O-])=O'
p7636
sS'CPD-14916'
p7637
S'CCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p7638
sS'CPD-19043'
p7639
S'CC(C)(C)OCO'
p7640
sS'CPD-14915'
p7641
S'CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p7642
sS'CPD-14912'
p7643
S'CC4(C(O)C(O)C(O)C(OC3(C(=O)C1(C(=CC(OC)=C(OC)C(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))O4)'
p7644
sS'CPD-14910'
p7645
S'COC3(=C(OC)C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)[O-]))'
p7646
sS'CPD-14911'
p7647
S'COC3(=C(OC)C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC4(C(C(C(O)C(O4)CO)O)O)))'
p7648
sS'CPD-8751'
p7649
S'CC1(CCCC4(C)(C2(C1C3(C(C(C2)3)(C)4))))C'
p7650
sS'CPD-14918'
p7651
S'CCCCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p7652
sS'CPD-14919'
p7653
S'CCCCCCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O'
p7654
sS'CPD-16'
p7655
S'C1(C(=CC(O)=CC=1O)O)'
p7656
sS'SS-DIMETHYL-BETA-PROPIOTHETIN'
p7657
S'C[S+](C)CCC(=O)[O-]'
p7658
sS'CPD-19047'
p7659
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p7660
sS'CPD-10'
p7661
S'CC3(NC1(N=C(N)NC(=O)C=1N2(CN(C(C)[CH]23)C5(=CC=C(CC(C(C(COC4(C(C(C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C([O-])=O)=O)CCC([O-])=O)O4)O)O))O)O)O)C=C5))))'
p7662
sS'CPD-8492'
p7663
S'CCCCCCCCCCCCCCCCCCCCCCC=CCC(C)=O'
p7664
sS'CPD-1005'
p7665
S'CC(C1(C(O)C(O)C(=CC=1)C([O-])=O))C'
p7666
sS'L-ARGININE-P'
p7667
S'C(CCC([N+])C(=O)[O-])NC(=[N+])NP(=O)([O-])[O-]'
p7668
sS'CPD0-1218'
p7669
S'CC(C)N(O)C(C(=O)[O-])=O'
p7670
sS'CPD0-2090'
p7671
S'CS(=O)C1(=CC=CC=C1)'
p7672
sS'CPD-7015'
p7673
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(CO)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p7674
sS'CPD-19085'
p7675
S'CC(O)(CCO)C'
p7676
sS'CPD0-2099'
p7677
S'C(P(O)(=O)[O-])CC(O)CO'
p7678
sS'S-PHOSPHOMALATE'
p7679
S'C(=O)(C(OP(=O)([O-])[O-])CC([O-])=O)[O-]'
p7680
sS'CPD-15755'
p7681
S'CC1(NC(SC=1CCO)=[N+])'
p7682
sS'CPD-15754'
p7683
S'CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(SCCNC(=O)CCNC(C(O)C(C)(C)COP(=O)([O-])OCC(N[a'
p7684
sS'CPD-15753'
p7685
S'C([O-])(=O)C(=O)C1(C=C(O)C=C(O)C=1)'
p7686
sS'CPD-15752'
p7687
S'C([O-])(=O)C([N+])C1(=CC(O)=CC(O)=C1)'
p7688
sS'CPD-15751'
p7689
S'C1(C=C9(C(Cl)=CC=1C[CH]%10(NC(C([N+])C%11(=CC=C(O)C(OC2(C=C(C=C(C=2)[CH](C(NC7(C3(=CC(=C(C(=C3)OC4(C(Cl)=CC(=CC=4)C([CH]6(C(NC(C(=O)[O-])C8(C=C(C=C(C(C5(=C(C(=CC(=C5)[CH](C(N6)=O)NC7=O)Cl)O))=8)O)O))=O))O))O)O9)))=O)NC%10=O)O))=C%11))=O)))'
p7690
sS'CPD-15750'
p7691
S'C1(C=C9(C(Cl)=CC=1C[CH]%10(NC(C([N+])C%11(=CC=C(OS(=O)(=O)[O-])C(OC2(C=C(C=C(C=2)[CH](C(NC7(C3(=CC(=C(C(=C3)OC4(C(Cl)=CC(=CC=4)C([CH]6(C(NC(C(=O)[O-])C8(C=C(C=C(C(C5(=C(C(=CC(=C5)[CH](C(N6)=O)NC7=O)Cl)O))=8)O)O))=O))O))O)O9)))=O)NC%10=O)O))=C%11))=O)))'
p7692
sS'1-5-PHOSPHORIBOSYLIMIDAZOLE-4-ACETATE'
p7693
S'C1(=C(CC(=O)[O-])N=CN1C2(OC(COP(=O)([O-])[O-])C(O)C(O)2))'
p7694
sS'PHENYLACETALDOXIME'
p7695
S'C1(C=CC(CC=NO)=CC=1)'
p7696
sS'ACTINOMYCINIC-MONOLACTONE'
p7697
S'CC(C(NC(C(NC(C2(C1(=NC3(C(=CC=C(C(OC1=C(C(C=2N)=O)C)=3)C)C(=O)NC5(C(OC(C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]4(CCCN4C(C(C(C)C)NC(=O)5)=O))=O)C)))))=O)C(O)C)=O)C(N6(C(C(=O)N(C)CC(N(C(C([O-])=O)C(C)C)C)=O)CCC6))=O)C'
p7698
sS'MALEIMIDE'
p7699
S'C1(C(NC(C=1)=O)=O)'
p7700
sS'CPD-18259'
p7701
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C([O-])=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)O[R1])'
p7702
sS'CPD-18258'
p7703
S'C([R])C(=O)NC(C(NC(C(O)CC(O)C([N+])C(O)C(O)C(=O)NC(C(=O)N)CNC(N)=O)CO)=O)CC(=O)N'
p7704
sS'ZN+2'
p7705
S'[Zn++]'
p7706
sS'CPD-18255'
p7707
S'CC3(O)(OC2(C(=C(O)C1(=C(O)C=C(O)C=C1C=2))C(=O)C3))'
p7708
sS'CPD-18257'
p7709
S'CC1(C=C(O)C=C(O)C=1C(=O)CC2(OC(=O)C3(=C(C=2)C=C(O)C=C(O)3)))'
p7710
sS'CPD-18256'
p7711
S'CC(CC(O)CC1(OC(=O)C2(C(C=1)=CC(O)=CC(O)=2)))=O'
p7712
sS'CPD-18251'
p7713
S'C(NC(N)=O)C(C([O-])=O)[N+]'
p7714
sS'CPD-18253'
p7715
S'CC(C)CC(NC(=O)C(C)=O)C(=O)NC(C(=O)[O-])CCSC'
p7716
sS'6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6'
p7717
S'CCCCCC=CCC=CCC=CC=CC(OO)CCCC([O-])=O'
p7718
sS'CPD-15539'
p7719
S'C(OP(=O)([O-])[O-])C2(C(C(O)C(OC1(C=CC=CC=1))O2)O)'
p7720
sS'CPD-15533'
p7721
S'CC1(=C(C(OC)=O)C(OC)=CC2(C1=C(O)C3(=C(C=2)C(=O)C4(O)(C(O)(C(=O)3)C(=O)C=C(OC)C(O)4))))'
p7722
sS'CPD-15532'
p7723
S'CC1(=C(C(=O)[O-])C(=CC2(=CC3(=C(C(O)=C12)C(C4(=C(O)C=C(C=C(C3=O)4)[O-]))=O)))O)'
p7724
sS'CPD-15531'
p7725
S'C1(=C(CO)C(N)=NC(=O)N1)'
p7726
sS'CPD-15537'
p7727
S'CC4(C(C(C(C(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)O4)O)O)NC(=O)C)'
p7728
sS'CPD-15536'
p7729
S'CC1(N=C4(N(C(CC(O)C(NC(=O)OC)C([O-])=O)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N(C)4)))'
p7730
sS'CPD-15535'
p7731
S'C=CC3(=C(NC(C(=O)C2(NC(C=C1(C(=C(C(N1)=O)C)CCC([O-])=O))=C(C=2C)CCC(=O)[O-]))=C3C)C=C4(NC(C(=C4C)C=C)=O))'
p7732
sS'CPD-15534'
p7733
S'C=CC1(=C(C(NC1=CC2(=C(C(=C(N2)C(=O)C3(NC(=C(C=3C)CCC(=O)[O-])C=C4(NC(C(=C4CCC([O-])=O)C)=O)))C=C)C))=O)C)'
p7734
sS'CPD-15319'
p7735
S'CC(O)(C([O-])=O)CC([N+])C([O-])=O'
p7736
sS'CPD-7050'
p7737
S'C(C1(C=C(N=CC=1)C(=O)[O-]))([O-])=O'
p7738
sS'CPD-7051'
p7739
S'CN4(CC[N+](CCCN1(C3(=C(SC2(=C1C=CC=C2))C=CC(=C3)C(F)(F)F)))CC4)'
p7740
sS'FORMYL-THMPT'
p7741
S'CC([CH]1(N(C=O)C2(C(NC(=NC(NC(C)1)=2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p7742
sS'CPD-13572'
p7743
S'CC2(C)(CC(C1(=CC=C(C([O-])=O)CC1))=CCC2)'
p7744
sS'CPD-7058'
p7745
S'CC(C[As](C1(C=CC=CC=1))([O-])=O)O'
p7746
sS'CPD-7059'
p7747
S'CC1(OC(C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O2)OC5(C=C(O)C4(C(=O)CC(C3(=CC=C(O)C=C3))OC=4C=5))))'
p7748
sS'L-DIHYDROXY-PHENYLALANINE'
p7749
S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p7750
sS'TRANS-CYCLOHEXANE-12-DIOL'
p7751
S'C1(CCC(O)C(C1)O)'
p7752
sS'ETHIONINE'
p7753
S'CCSCCC([N+])C(=O)[O-]'
p7754
sS'HYDROXY-915-DIOXOPROSTA-13-ENOATE'
p7755
S'CCCCCC(=O)C=CC1(C(CC=CCCCC(=O)[O-])C(=O)CC(O)1)'
p7756
sS'CARBAMOYL-P'
p7757
S'C(=O)(N)OP(=O)([O-])[O-]'
p7758
sS'SINAPOYL-S-MALATE'
p7759
S'COC1(=CC(C=CC(=O)[O-])=CC(OC)=C(OC(=O)C(O)CC(=O)[O-])1)'
p7760
sS'PYROPHOSPHATE-GROUP'
p7761
S'[O-]P(OP(=O)([O-])O)(=O)[O-]'
p7762
sS'CPD-8758'
p7763
S'CC(C1(CCC2(CCCC(=C(C=1)2)C)C))C'
p7764
sS'CMP'
p7765
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP([O-])([O-])=O'
p7766
sS'TETRAHYDROTHIOPHENE-1-OXIDE'
p7767
S'C1(CCS(C1)=O)'
p7768
sS'CPD0-2238'
p7769
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC7(C([O-])=O)(OC(C(O)CO)C(OC5(OC(C(CO)O)C(C(OC4(OC(C(COC3(OC(C(O)CO)C(O)C(O)C(O)3))O)C(C(O)C4O)OP([O-])(=O)[O-]))C5O)O))C(OC6(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C6))C7))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p7770
sS'CPD0-2239'
p7771
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC7(C([O-])=O)(OC(C(O)CO)C(OC5(OC(C(CO)O)C(C(OC4(OC(C(COC3(OC(C(O)CO)C(O)C(O)C(O)3))O)C(C(O)C4O)OP([O-])(=O)[O-]))C5O)OP([O-])(=O)[O-]))C(OC6(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C6))C7))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p7772
sS'CPD0-2232'
p7773
S'CCCCCCCCCCCCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O'
p7774
sS'CPD0-2230'
p7775
S'CCCCCCC=CCCCCCCCC(OCC(COP([O-])(=O)OCC(COP([O-])(=O)[O-])O)OC(=O)CCCCCCCC=CCCCCCC)=O'
p7776
sS'CPD0-2231'
p7777
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p7778
sS'IPRONIAZID'
p7779
S'CC(C)NNC(=O)C1(C=CN=CC=1)'
p7780
sS'CPD0-2234'
p7781
S'CC5(=O[Fe]1234(OC(=O)C(CC(NC(CCCCN(C(C)=O1)O2)C(=O)O)=O)(O3)CC(=O)NC(CCCCN(O4)5)C(=O)O))'
p7782
sS'MPBQ'
p7783
S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C=C(C)C=1O)O))C)C'
p7784
sS'CPD-9617'
p7785
S'COC2(C(=C(C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C=2)=3)))OC)O)'
p7786
sS'DIMETHYLARSINOUS-ACID'
p7787
S'C[As](O)C'
p7788
sS'THREO-DS-ISO-CITRATE'
p7789
S'C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]'
p7790
sS'CPD-579'
p7791
S'CNC(CCC(C([O-])=O)=O)=O'
p7792
sS'CPD-578'
p7793
S'C(N)(NC([O-])=O)=O'
p7794
sS'CPD-577'
p7795
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCCC1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p7796
sS'CPD-575'
p7797
S'C(=O)([O-])C1(CCCCC1)'
p7798
sS'CPD-574'
p7799
S'C1(SC(CCCCC(N)=O)[CH]2(NC(N[CH]12)=O))'
p7800
sS'CPD-573'
p7801
S'C[N+](CC(O)CC(N)=O)(C)C'
p7802
sS'CPD-1127'
p7803
S'CC(O)C(=O)C1(CNC2(=NC(=O)NC(=O)C(N=1)2))'
p7804
sS'13-BETA-D-GALACTOSYL-N-ACETYL-D-GLU'
p7805
S'CCCCCCCCCCCCCC=CC(O)C(COC4(OC(CO)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(NC(C)=O)2))C(O)3))C(O)C(O)4))NC(=O)[R]'
p7806
sS'56-DIHYDROXYINDOLE-2-CARBOXYLATE'
p7807
S'C1(=C(NC2(C=C(O)C(O)=CC1=2))C(=O)[O-])'
p7808
sS'12-DICHLOROETHANE'
p7809
S'C(CCl)Cl'
p7810
sS'CPD-3843'
p7811
S'C1(O)(C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])OP(=O)([O-])O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p7812
sS'CPD-719'
p7813
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7814
sS'CPD-718'
p7815
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p7816
sS'DEOXYAMIDINOPROCLAVAMINATE'
p7817
S'C(CCC(C(=O)[O-])N1(CCC(=O)1))NC(=[N+])N'
p7818
sS'CPD-713'
p7819
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7820
sS'CPD-712'
p7821
S'CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7822
sS'CPD-711'
p7823
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7824
sS'METHYLNICOTINATE'
p7825
S'C1(=C(C([O-])=O)C=CC=[N+](C)1)'
p7826
sS'CPD-717'
p7827
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p7828
sS'CPD-714'
p7829
S'CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7830
sS'GLY'
p7831
S'C([N+])C([O-])=O'
p7832
sS'CPD-5205'
p7833
S'CC(OC(CCC(C(C3(C4(CC(C2(C(CC=C1(C(C(C(CC12)O)=O)(C)C))C(CC3O)4C)C)=O)C))(O)C)=O)(C)C)=O'
p7834
sS'CPD-5204'
p7835
S'CC(OC(CCC(C(C2(C3(CC(C4(C1(CC(C(C(C1=CCC(C(CC2O)3C)4)(C)C)=O)O))CO)=O)C))(O)C)=O)(C)C)=O'
p7836
sS'CPD-5201'
p7837
S'CC(OC(C=CC(C(C2(C3(CC(C4([CH]1(CC(C(C(C1=CCC(C(CC2O)3C)4)(C)C)=O)O))CO)=O)C))(O)C)=O)(C)C)=O'
p7838
sS'CPD-5203'
p7839
S'CC(OC(C=CC(C(C2(C3(CC(C4(C1(C=C(C(C(C1=CCC(C(CC2O)3C)4)(C)C)=O)[O-]))C)=O)C))(O)C)=O)(C)C)=O'
p7840
sS'CPD-5202'
p7841
S'CC(OC(C=CC(C(C3(C4(CC(C2(C(CC=C1(C(C(C(CC12)O)=O)(C)C))C(CC3O)4C)C)=O)C))(O)C)=O)(C)C)=O'
p7842
sS'CPD-11536'
p7843
S'C=CC(C)=CC=CC(C)=CC=C1(C(C)=CCCC(C)(C)1)'
p7844
sS'CPD-11534'
p7845
S'CC4(C3(CCC2(C1(CCCC(C1CCC2(C3)C=4)(C)C)C)))'
p7846
sS'CPD-11533'
p7847
S'CC5(C)([CH]4(CCC3(C)([CH](CC[CH]2(C(C)(CC[CH]1(C(C)(CCC(O)C(C)(C)1)2))3))C(C)4CCC5)))'
p7848
sS'CPD-11530'
p7849
S'COC1(=CC(CCC=O)=CC=C(O)1)'
p7850
sS'CPD-1042'
p7851
S'C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N'
p7852
sS'CPD-1041'
p7853
S'C(CC1(=CC=C(C=C1)O))=NO'
p7854
sS'XYLULOSE-5-PHOSPHATE'
p7855
S'C(OP([O-])(=O)[O-])C(O)C(O)C(=O)CO'
p7856
sS'CPD-9693'
p7857
S'COC1(=C(C=C2(C(=C1)OCO2))C3(C(C4(=C(OC=3)C=C(C(=C4)OC)OC5(OC(C(O)C(O)C(O)5)COC6(C(O)C(CO)(O)CO6))))=O))'
p7858
sS'3-OXO-DEOXYCHOLYL-COA'
p7859
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(CC(=O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p7860
sS'CPD-9695'
p7861
S'COC1(=C(C=C(C(=C1)OC)OC)C2(C(C3(C=C(C(=CC(OC=2)=3)OC4(OC(C(O)C(O)C(O)4)COC5(C(O)C(CO)(O)CO5)))OC))=O))'
p7862
sS'5-OH-2-4-DIOXOPENTANOATE'
p7863
S'C(C(CC(C([O-])=O)=O)=O)O'
p7864
sS'CPD-9699'
p7865
S'C=C1(C(CC([N+])C([O-])=O)C1)'
p7866
sS'CPD-8075'
p7867
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p7868
sS'CPD-8074'
p7869
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p7870
sS'CPD-12918'
p7871
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C([CH]=O)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p7872
sS'CPD-8076'
p7873
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p7874
sS'CPD-10449'
p7875
S'CC2(C(NO)=C(C1(OC(CO)C(O)C(O)C(O)1))C([N+]([O-])=O)=CC([N+]([O-])=O)=2)'
p7876
sS'CPD-8073'
p7877
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p7878
sS'CPD-8079'
p7879
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p7880
sS'CPD-8078'
p7881
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p7882
sS'2-TRANS6-TRANS-FARNESAL'
p7883
S'CC(C)=CCCC(C)=CCCC(C)=C[CH]=O'
p7884
sS'PHENYLETHANOLAMINE'
p7885
S'C([N+])C(C1(C=CC=CC=1))O'
p7886
sS'8C-Glc-2-hydroxyeriodictyol'
p7887
S'C1(C=C(O)C(O)=CC=1C(=O)CC(=O)C3(C(O)=C(C2(C(C(C(O)C(O2)CO)O)O))C([O-])=CC(O)=3))'
p7888
sS'S-LACTOYL-GLUTATHIONE'
p7889
S'CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p7890
sS'CPD-9416'
p7891
S'C3(N(C(C1(=CC=C(C=C1)O))C([O-])=O)C(C(NC(C(C2(=CC=C(C=C2)OCCC(C([O-])=O)[N+]))[N+])=O)3)=O)'
p7892
sS'URACIL'
p7893
S'C1(=CC(NC(=O)N1)=O)'
p7894
sS'DITHIO-NITROBENZOATE'
p7895
S'C1(C=C(C(=CC=1SSC2(=CC=C(C(=C2)C(=O)[O-])[N+]([O-])=O))C(=O)[O-])[N+]([O-])=O)'
p7896
sS'GUANOSINE_TETRAPHOSPHATE'
p7897
S'C2(=NC3(=C(N(C1(OC(COP(=O)([O-])OP(=O)(OP([O-])(OP([O-])(=O)O)=O)[O-])C(O)C(O)1))2)N=C(NC3=O)N))'
p7898
sS'META-XYLENE'
p7899
S'CC1(C=CC=C(C=1)C)'
p7900
sS'DIHYDROXYNAPHTHOATE'
p7901
S'C([O-])(=O)C1(=C(O)C2(=C(C(O)=C1)C=CC=C2))'
p7902
sS'2-UREIDO-PROPIONATE'
p7903
S'CC(NC(N)=O)C([O-])=O'
p7904
sS'MANNOSYL-ETCETERA-GLUCOSAMINYL-D-MANNOSE'
p7905
S'CC(=O)NC5(C(OC2(C(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2)OC4(C(O)C(O)C(CO)OC(OC3(C(O)OC(CO)C(O)C(O)3))4)))OC(CO)C(O)C(O)5)'
p7906
sS'CPD-9518'
p7907
S'C([O-])(=O)C1(C([N+])C(O)C=CC=1)'
p7908
sS'XANTHOMMATIN'
p7909
S'C([O-])(=O)C([N+])CC(=O)C1(C=CC=C4(C=1N=C3(C(=CC(=O)C2(=NC(C([O-])=O)=CC(=C23)[O-]))O4)))'
p7910
sS'CPD-18637'
p7911
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)CC'
p7912
sS'HEPTADECANE-CPD'
p7913
S'CCCCCCCCCCCCCCCCC'
p7914
sS'AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP'
p7915
S'CC1(N=C(N)C(=CN=1)COP(OP([O-])([O-])=O)([O-])=O)'
p7916
sS'OXIDIZED-PHOTINUS-LUCIFERIN'
p7917
S'[C-]1(SC(=NC(=O)1)C2(=NC3(=CC=C(O)C=C(S2)3)))'
p7918
sS'4--FLUOROGLUTAMATE'
p7919
S'C(=O)(O)C(N)CC(F)C(=O)O'
p7920
sS'POLYPRENYL-PPI'
p7921
S'CC(C)=CCCC=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p7922
sS'CPD-17633'
p7923
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCC[CH]=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7924
sS'P-COUMAROYL-COA'
p7925
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p7926
sS'CPD-17264'
p7927
S'CCC=CCC=CCC=CCC=CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7928
sS'CPD-17267'
p7929
S'CCC=CCC=CCC=CCC=CCCCCC(O)CC([O-])=O'
p7930
sS'CPD-17266'
p7931
S'CCC=CCC=CCC=CCC=CCCCCC(=O)CC([O-])=O'
p7932
sS'CPD-17261'
p7933
S'CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC3(OC(CO)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)C(NC(=O)C)3))'
p7934
sS'CPD-17260'
p7935
S'C(=O)([O-])CC(S(=O)[O-])C(=O)[O-]'
p7936
sS'CPD-17263'
p7937
S'CCC=CCC=CCC=CCC=CCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7938
sS'CPD-17262'
p7939
S'CCC=CCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7940
sS'CPD-10069'
p7941
S'C=C(C)C1(CCC(C)C(=O)OC1)'
p7942
sS'CPD-10066'
p7943
S'C=C(C)C(CCC(C)=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p7944
sS'CPD-10064'
p7945
S'C=C(C)C1(CCC(C)OC(=O)C1)'
p7946
sS'CPD-10065'
p7947
S'C=C(C)C(CCC(O)C)CC([O-])=O'
p7948
sS'CPD-10063'
p7949
S'C=C(C)C(CCC(=O)C)CC([O-])=O'
p7950
sS'CPD-10060'
p7951
S'C=C(C)C1(CC(=O)OC(C)(O)CC1)'
p7952
sS'CPD-7834'
p7953
S'CCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p7954
sS'CPD-7835'
p7955
S'CCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p7956
sS'CPD-7836'
p7957
S'CCCCCCCCCCCCCC([O-])=O'
p7958
sS'CPD-7837'
p7959
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p7960
sS'CPD-7830'
p7961
S'CCCCCCCCCCCCCCCCC([O-])=O'
p7962
sS'CPD-7832'
p7963
S'CCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p7964
sS'CPD-7833'
p7965
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p7966
sS'PHENYL-PYRUVATE'
p7967
S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p7968
sS'CPD-7838'
p7969
S'C(CCCCCCCCCCCCCCCCCCCCC([O-])=O)O'
p7970
sS'CPD-12374'
p7971
S'C([O-])(=O)C1(NC2(C(C=1)=CC(=O)C(=O)C=2))'
p7972
sS'CPD-12377'
p7973
S'O'
p7974
sS'CPD-12373'
p7975
S'C1(=CNC2(C1=CC(=O)C(=O)C=2))'
p7976
sS'CPD-12358'
p7977
S'C[N+]4(CC(CO)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p7978
sS'CPD0-2581'
p7979
S'CC(=CC(OCCCCCCCCCCCCCCCC([O-])=O)=O)C[CH]2(C(O)C(O)[CH](CC1(OC(C(C(C)O)C)1))CO2)'
p7980
sS'2-CARBOXY-D-ARABINITOL'
p7981
S'C(C(C(C(C([O-])=O)(CO)O)O)O)O'
p7982
sS'3-7-DIMETHYLXANTHINE'
p7983
S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p7984
sS'CPD-10282'
p7985
S'CCCCCCCCCCCC=CC=CC=CC=CC=CC(=O)[O-]'
p7986
sS'CPD-10283'
p7987
S'CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p7988
sS'CPD-10280'
p7989
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p7990
sS'DIETHYL-2R3R-2-METHYL-3-HYDROXYSUCCIN'
p7991
S'CCOC(C(C(C(OCC)=O)O)C)=O'
p7992
sS'CPD-10284'
p7993
S'CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p7994
sS'CPD-10285'
p7995
S'CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)(C(C)CCC(=C(C)C)C(CCC=O)1)'
p7996
sS'CPD-4569'
p7997
S'COC1(=CC(=C(C=C1)C2(C(C3(=C(C=C(C=C(OC2)3)[O-])O))=O))OC)'
p7998
sS'CPD-9848'
p7999
S'C=CC1(C2(CC(N(C1)CC2)C(C3(C4(=C(N=CC=3)C=CC(=C4)OC)))=O))'
p8000
sS'CPD-4567'
p8001
S'COC5(C=C1(OCOC1=CC(C2(COC4(=C(C2=O)C(O)=CC(OC3(C(O)C(O)C(O)C(O3)COC(CC([O-])=O)=O))=C4)))=5))'
p8002
sS'3-METHYLXANTHINE'
p8003
S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p8004
sS'CPD-4565'
p8005
S'COC1(=C(C=C2(C(=C1)OCO2))C3(C(C4(=C(C=C(C=C(OC3)4)[O-])O))=O))'
p8006
sS'CPD-4564'
p8007
S'C(OC(=O)CC(=O)[O-])C4(OC(OC1(C=C(O)C2(C(=O)C(=COC(C=1)=2)C3(=CC=C(C=C3)OC))))C(O)C(O)C(O)4)'
p8008
sS'CPD-4563'
p8009
S'COC4(C=CC(C1(C(=O)C2(=C(OC=1)C=C(C=C(O)2)OC3(C(C(O)C(O)C(O3)CO)O))))=CC=4)'
p8010
sS'CPD-4562'
p8011
S'COC1(C=CC(=CC=1)C4(C(=O)C3(C(=CC(OC2(C(O)C(C(O)C(O2)COC(CC([O-])=O)=O)O))=CC=3)OC=4)))'
p8012
sS'CPD-9841'
p8013
S'CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC'
p8014
sS'CPD-9840'
p8015
S'[CH](=O)CCCCCCCC(OC)=O'
p8016
sS'CPD-17489'
p8017
S'CCCCCCCCCC(=O)C(=O)CC'
p8018
sS'UROPORPHYRIN_I'
p8019
S'C(C5(C3(N=C(C=C4(N=C(C=C1(C(CCC([O-])=O)=C(CC([O-])=O)C(=N1)C=C2(C(=C(C(=N2)C=3)CC([O-])=O)CCC(=O)[O-])))C(=C4CCC(=O)[O-])CC(=O)[O-]))C=5CC([O-])=O)))CC(=O)[O-]'
p8020
sS'UROCANATE'
p8021
S'C1(NC=NC=1C=CC([O-])=O)'
p8022
sS'INOSINE'
p8023
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p8024
sS'CPD-17480'
p8025
S'C2(C=C(OC1(C(C(C(O)C(O1)CO)O)O))C=CC=2C(O)[CH]3(OC4(C(C(=O)3)=CC=C(C=4)O)))'
p8026
sS'CPD-17482'
p8027
S'C(OC2(C=CC(OC1(C(C(C(O)C(O1)CO)O)O))=CC=2))=C3(OC4(C(C(=O)3)=CC=C(O)C=4))'
p8028
sS'RX'
p8029
S'[R]X'
p8030
sS'CPD-17487'
p8031
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=CC1(CCC=CC=1C=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p8032
sS'CPD-13399'
p8033
S'C(C1(OC(C(C(C1O)O)O)OC2(C(CO)(O)OCC(O)C(O)2)))O'
p8034
sS'CPD-13398'
p8035
S'CC(C)CC(C([O-])=O)NC(C(C)[N+])=O'
p8036
sS'CPD-18373'
p8037
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC(O)CO)=O'
p8038
sS'CPD-13390'
p8039
S'CC(C(=O)[O-])NC(=O)C(CCSC)[N+]'
p8040
sS'CPD-13393'
p8041
S'CSCCC(C(=O)[O-])NC(=O)C[N+]'
p8042
sS'CPD-13395'
p8043
S'C([N+])C(=O)NC(CC(N)=O)C([O-])=O'
p8044
sS'CPD-13394'
p8045
S'C([N+])C(=O)NC(C([O-])=O)CCC(=O)N'
p8046
sS'CPD-13397'
p8047
S'CC([N+])C(=O)NC(C(O)C)C([O-])=O'
p8048
sS'3-OXO-DELTA46-CHOLYL-COA'
p8049
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C=CC4(=CC(=O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p8050
sS'STAUROSPORINE'
p8051
S'CC18(OC(CC([N+]C)C(OC)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NCC=3C5(C4(C=CC=CC=4N(C=5C=67)8)))))))'
p8052
sS'CPD-14808'
p8053
S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p8054
sS'CPD-14615'
p8055
S'CCCCCC(=O)CC(=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8056
sS'CPD-11889'
p8057
S'CC45(N8(C1(C=CC=CC=1C3(=C(C6(=C(C2(C(=O)NCC=23))C7(=C(N(C(O4)CC(O)(C(O)=O)5)6)C=CC=C7)))8))))'
p8058
sS'CPD-11888'
p8059
S'CC1(OC(C(O)C(O)C(O)1)N6(C5(C3(NC2(C=CC=CC=2C=3C4(=C(C(=O)NC4)C=5C7(=C6C=CC=C7)))))))'
p8060
sS'CPD-11887'
p8061
S'CC45(N8(C1(C=CC=CC=1C3(=C(C6(=C(C2(C(=O)NCC=23))C7(=C(N(C(O4)CC(O)(C(OC)=O)5)6)C=CC=C7)))8))))'
p8062
sS'CPD-14618'
p8063
S'COC(=O)C4(C=C1(C(N=C(S1)NC(=O)CSC2(=NC3(C(N2)=CC=CC=3)))=CC=4))'
p8064
sS'CPD-11884'
p8065
S'COC1(=CC=C(C=CC([O-])=O)C=C1)'
p8066
sS'CIS-12-DIHYDRO-3-ETHYLCATECHOL'
p8067
S'CCC1(=CC=CC(O)C(O)1)'
p8068
sS'CPD-11881'
p8069
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C=C(OC)C(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p8070
sS'CPD-11880'
p8071
S'COC1(C(O)=CC=C(C(=O)C(SCC(NC(CCC(C([O-])=O)[N+])=O)C(=O)NCC([O-])=O)CO)C=1)'
p8072
sS'METHYL-THMPT'
p8073
S'CC([CH]1(N(C)C2(C(NC(=NC(NC(C)1)=2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p8074
sS'HYDROXYAMINOBENZENE'
p8075
S'C1(=CC=C(C=C1)NO)'
p8076
sS'PSEUDOURIDINE-5-P'
p8077
S'C1(=C(C(=O)NC(=O)N1)C2(OC(COP(=O)([O-])[O-])C(O)C(O)2))'
p8078
sS'BISGLYCEROPHOSPHOGLYCEROL'
p8079
S'C(O)C(O)COP([O-])(=O)OCC(O)COP(OCC(CO)O)([O-])=O'
p8080
sS'CPD-8263'
p8081
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CC=CCCCCCCCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p8082
sS'CPD-13029'
p8083
S'C([O-])(=O)C(NO)CC1(C=CC=CC=1)'
p8084
sS'CPD-13028'
p8085
S'C(=NO)CC1(=CNC2(C=CC=CC1=2))'
p8086
sS'CPD-13027'
p8087
S'C2(NC1(C=CC=CC=1C(CC(N(O)O)C(=O)[O-])=2))'
p8088
sS'CPD-13026'
p8089
S'C2(NC1(C=CC=CC=1C(CC(NO)C(=O)[O-])=2))'
p8090
sS'CPD-13025'
p8091
S'C2(=NC1(C(=O)NC(N)=NC=1N2C3(OC(CO)C(O)C(OP([O-])(=O)[O-])3)))'
p8092
sS'CPD-13024'
p8093
S'C(O)C1(C2(OP(=O)([O-])OC(O1)C(O)2))'
p8094
sS'CPD-13023'
p8095
S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(C=C(I)C(O)=C(I)C=2))'
p8096
sS'CPD-13022'
p8097
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=C(I)C=2))'
p8098
sS'CPD-13021'
p8099
S'C([N+])CC1(=CC(I)=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p8100
sS'CPD-13020'
p8101
S'C([N+])CC1(C=CC(=CC=1)OC2(C=C(I)C(O)=C(I)C=2))'
p8102
sS'NN-DIMETHYLANILINE-N-OXIDE'
p8103
S'CN(C)(=O)C1(C=CC=CC=1)'
p8104
sS'CPD-8266'
p8105
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COP([O-])(=O)[O-])=O'
p8106
sS'BACIMETHRIN'
p8107
S'C1(N=C(N=C(N)C=1CO)OC)'
p8108
sS'DINITROPHENYLHYDRAZINE'
p8109
S'C1(C=C(NN)C(=CC=1[N+]([O-])=O)[N+](=O)[O-])'
p8110
sS'undecaprenyl'
p8111
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p8112
sS'CPD-17878'
p8113
S'C1(C2(C(=O)C3(C(O)=C(O)C=C(O)C(C(=O)C(C(O)=C(O)C(CO)=1)=2)=3)))'
p8114
sS'CPD-17879'
p8115
S'CC(=O)C1(=C(O)CC4(O)(C(O)(C(=O)1)C(=O)C3(=C(O)C2(=C(C=C(OC)C=C(O)2)C=C3C4))))'
p8116
sS'CPD-18064'
p8117
S'C(=O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p8118
sS'CPD-18065'
p8119
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(C[N+])O)C(O)C(O)C3))OP([O-])([O-])=O))'
p8120
sS'CPD-18062'
p8121
S'C([N+])C(O)[CH]3(OC(C([O-])=O)(OP(OCC1(C(O)C(O)C(O1)N2(C(N=C(N)C=C2)=O)))([O-])=O)CC(C3O)O)'
p8122
sS'CPD-18063'
p8123
S'C([N+])C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p8124
sS'CPD-18060'
p8125
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(CCO)NC(=O)1)2))C)C'
p8126
sS'CPD-8269'
p8127
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)[O-])=O'
p8128
sS'CPD-17870'
p8129
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8130
sS'CPD-17871'
p8131
S'CC(C)=CCCC(C)=CCC3(C1(C(=C(O)C=C(OC)C=1)C(O)=C4(C(=O)C2(O)(C(C(C(=O)N)=C([O-])CC(O)2C(O)C=34)=O))))'
p8132
sS'CPD-17872'
p8133
S'COC2(C=C3(C=C1(CC4(O)(CC([O-])=C(C(=O)N)C(=O)C(O)(C(=O)C1=C(O)C(=C(O)C=2)3)4))))'
p8134
sS'CPD-17873'
p8135
S'C(=O)(N)C1(=C([O-])CC2(O)(C(O)(C1=O)C(=O)C4(C(C2)=CC3(C(=C(O)C=C(O)C=3)C(O)=4))))'
p8136
sS'CPD-17874'
p8137
S'C(=O)(N)C1(=C([O-])CC2(O)(C(O)(C1=O)C(=O)C4(C(C(O)2)=CC3(C(=C(O)C=C(O)C=3)C(O)=4))))'
p8138
sS'CPD-17875'
p8139
S'COC2(C=C3(C=C1(C(O)C4(O)(CC([O-])=C(C(=O)N)C(=O)C(O)(C(=O)C1=C(O)C(=C(O)C=2)3)4))))'
p8140
sS'CPD-18068'
p8141
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)CC(=O)NC(CCO)CO)C)C'
p8142
sS'CPD-1862'
p8143
S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)SC3(OC(CO)C(O)C(O)C(O)3))'
p8144
sS'N-ACETYLPHENYLETHYLAMINE'
p8145
S'CC(=O)NCCC1(C=CC=CC=1)'
p8146
sS'CPD-18405'
p8147
S'CCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC(O)CO)=O'
p8148
sS'D-MYO-INOSITOL-34-BISPHOSPHATE'
p8149
S'C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p8150
sS'CPD-18377'
p8151
S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=CC(O)=C2))3)4))'
p8152
sS'CPD-12319'
p8153
S'COC1(=CC(=O)OC(=C1)C5(C4(C(C2(CC(C(C(=O)O2)([C-](C(C3(C=CC=CC=3))=O)4)O)5O))O)O))'
p8154
sS'CPD-18400'
p8155
S'CCCCCCC=CCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCC=CCCCCCC)=O)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-]'
p8156
sS'PREGNAN-21-AL'
p8157
S'CC34(C2(C(C1(C(C(CC=O)CC1)(CC2)C))CCC3CCCC4))'
p8158
sS'GLYOX'
p8159
S'[CH](C(=O)[O-])=O'
p8160
sS'UBIQUINOL-30'
p8161
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=C(OC)C(OC)=C(O)1)O)'
p8162
sS'CPD-11498'
p8163
S'C(C1(C=C(Cl)C(=CC=1)O))(=O)[O-]'
p8164
sS'CPD-4754'
p8165
S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1CC=C2C3)C))C'
p8166
sS'CPD-18374'
p8167
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC=CCCCCCC)=O'
p8168
sS'QUEUINE'
p8169
S'C([N+]C1(C=CC(O)C(O)1))C2(=CNC3(N=C(NC(=O)C2=3)N))'
p8170
sS'CPD-2748'
p8171
S'C1(CC[CH]([N+]1)C2(C=NC=CC=2))'
p8172
sS'QUINOLINE'
p8173
S'C1(C=CC2(N=CC=CC(C=1)=2))'
p8174
sS'CPD-11939'
p8175
S'C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])OP([O-])(=O)[O-])C(OP([O-])([O-])=O)1)'
p8176
sS'CPD0-914'
p8177
S'C1(N=C(N)C2(=C(N=1)N(C=N2)C3(OC(C(O)C(O)3)COS(=O)(=O)[N-]C(=O)C(N)CC(=O)[O-])))'
p8178
sS'CPD0-915'
p8179
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C(CC([O-])=O)[N+])=O)([O-])=O'
p8180
sS'CPD0-916'
p8181
S'C(P(OCC3(C(O)C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])C(=O)C([N+])CC(=O)[O-]'
p8182
sS'MACROCIN'
p8183
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(O)C(OC)4)C))'
p8184
sS'CPD-18408'
p8185
S'CC2(CCC1(C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p8186
sS'CPD-12746'
p8187
S'CC(CCO)CCC1(C(C)(O)CCC2(C(C)1CCCC(C)(C)2))'
p8188
sS'CPD0-918'
p8189
S'C1(N=C(CC(C(=O)NO)[N+])C=N1)'
p8190
sS'CPD0-919'
p8191
S'C(C1(OC(C(C1O)O)O))OP(OP(OCC2(OC(C(C2O)O)N3(C=NC4(C([N+]=C[N-]C3=4)=O))))(=O)[O-])(=O)[O-]'
p8192
sS'CPD0-1028'
p8193
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-])C'
p8194
sS'CPD0-1029'
p8195
S'C(O)C1(OC(OCP(=O)(O)[O-])C(O)C(O)C(O)1)'
p8196
sS'3-34-DIHYDROXYPHENYLLACTATE'
p8197
S'C(C(CC1(=CC=C(C(=C1)O)O))O)([O-])=O'
p8198
sS'O-14-ALPHA-L-DIHYDROSTREPTOSYL-STREPTID'
p8199
S'CC2(OC(OC1(C(C(C(NC(N)=[N+])C(C1O)OP([O-])([O-])=O)O)NC(N)=[N+]))C(C(CO)(O)2)O)'
p8200
sS'AMMONIA'
p8201
S'[NH3]'
p8202
sS'MYRICETIN'
p8203
S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p8204
sS'CPD-12693'
p8205
S'C(S(=O)(=O)[O-])C(O)CO'
p8206
sS'CPD-6661'
p8207
S'C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p8208
sS'CPD-15287'
p8209
S'C(OC(CC(O)C([O-])=O)=O)C1(OC(C(O)C(O)C(O)1)OC2(=CC4(=C([O+]=C2C3(C=CC(O)=CC=3))C=C(O)C=C([O-])4)))'
p8210
sS'PSYCHOSINE'
p8211
S'CCCCCCCCCCCCCC=CC(C([N+])COC1(OC(C(C(C1O)O)O)CO))O'
p8212
sS'CPD-12838'
p8213
S'CCCCCCCC1(=C(O)C(=O)C2(=C(N1)C=CC=C2))'
p8214
sS'CPD-14239'
p8215
S'CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8216
sS'CPD-15289'
p8217
S'C(O)C1(C(C(O)C(O)C(O1)OC2(C=C([O-])C5(=C(C=2)[O+]=C(C3(C=CC(O)=CC=3))C(OC4(C(O)C(C(O)C(CO)O4)O))=C5)))O)'
p8218
sS'OXALATE'
p8219
S'C([O-])(C(=O)[O-])=O'
p8220
sS'CPD-15288'
p8221
S'C(OC(CC(O)C([O-])=O)=O)C1(OC(C(O)C(O)C(O)1)OC2(=CC4(=C([O+]=C2C3(C=C(O)C(O)=C(O)C=3))C=C([O-])C=C([O-])4)))'
p8222
sS'CPD-15630'
p8223
S'COC2(=C(O)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p8224
sS'CPD-16550'
p8225
S'C2(C(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)C=2)O)'
p8226
sS'LINOLEIC_ACID'
p8227
S'CCCCCC=CCC=CCCCCCCCC([O-])=O'
p8228
sS'CPD-15631'
p8229
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C=C(O)2)O3)))'
p8230
sS'CPD-15256'
p8231
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p8232
sS'CPD-12577'
p8233
S'C([N+])COC(CC(C(=O)[O-])(O)CC(=O)[O-])=O'
p8234
sS'CPD-12574'
p8235
S'CC([N+])C[N+]'
p8236
sS'CPD-963'
p8237
S'CC1(=CC2(=C(NC1=O)C=CC=C2))'
p8238
sS'CPD-12572'
p8239
S'COC1(C=C(C=C(OC)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p8240
sS'CPD-15253'
p8241
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p8242
sS'CPD-12570'
p8243
S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p8244
sS'CPD-15251'
p8245
S'CCC(CCCC(CCCC(CCCC(C)C)C)C)C'
p8246
sS'CPD-15258'
p8247
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OCC[N+])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p8248
sS'CPD-12579'
p8249
S'C(OC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C([O-])=O)N1(C(=O)CCC(C(=O)[O-])(O)1))C[N+]'
p8250
sS'4-HYDROXY-2-KETOVALERATE'
p8251
S'CC(O)CC(=O)C([O-])=O'
p8252
sS'CPD-14233'
p8253
S'C=CCCCCCCCCCCCCCCCCC(C)C'
p8254
sS'CARBON-MONOXIDE'
p8255
S'[C-]#[O+]'
p8256
sS'CPD-11435'
p8257
S'CC(C)NC=O'
p8258
sS'CPD-12831'
p8259
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC2(C(=C(O)C1(C=CC=CC=1C=2O))C)'
p8260
sS'CPD-18993'
p8261
S'CCCCC(O)C'
p8262
sS'PROSTAGLANDIN-H2'
p8263
S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p8264
sS'7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL'
p8265
S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)[O-])[N+])C(CCCC([O-])=O)O'
p8266
sS'CPD-8669'
p8267
S'CC1(=C(C=O)C(C)(C)CC=C1)'
p8268
sS'CPD-16051'
p8269
S'CC(Cl)(O)C(=O)[O-]'
p8270
sS'CPD-9208'
p8271
S'C=C1(CSC2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])1)2))'
p8272
sS'CPD-16501'
p8273
S'C(S([O-])(=O)=O)C1(OC(O)(CO)C(O)C(O)1)'
p8274
sS'CPD-14230'
p8275
S'C=CCCCCCCCCCCCCCCCCCCC'
p8276
sS'CPD-8510'
p8277
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p8278
sS'CPD-19088'
p8279
S'CC(O)(C[CH]=O)C'
p8280
sS'CPD-19086'
p8281
S'CC(O)C(C)(C)O'
p8282
sS'CPD-16509'
p8283
S'CC1(CCC[N+]1)'
p8284
sS'CU+2'
p8285
S'[Cu++]'
p8286
sS'CPD-19083'
p8287
S'CCCC(O)C'
p8288
sS'CPD-6761'
p8289
S'C=CC=C(C([O-])=O)O'
p8290
sS'CPD-9207'
p8291
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC([N+])C1(C=CC=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p8292
sS'CPD-15639'
p8293
S'CC(NC3(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)OC(C(C3O)O)C([O-])=O))=O'
p8294
sS'CPD-12613'
p8295
S'CC(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C'
p8296
sS'CPD-12612'
p8297
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C)C'
p8298
sS'CPD-12611'
p8299
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)C)C)C)C)C'
p8300
sS'CPD-12610'
p8301
S'[Mn](=O)=O'
p8302
sS'CPD-12617'
p8303
S'CC(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C)C=CC=C(C=CC(=O)C(OC)(C)C)C)C'
p8304
sS'CPD-14947'
p8305
S'COC3(=CC(O)=C2(C(=O)C(O)=C(C1(C=C(OC)C(O)=CC=1))OC2=C3))'
p8306
sS'CPD-12615'
p8307
S'CC(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C'
p8308
sS'CPD-12614'
p8309
S'CC(C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C'
p8310
sS'CPD-12618'
p8311
S'C1(C=C(Cl)C(O)=C(NO)C=1)'
p8312
sS'CPD-8511'
p8313
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)O'
p8314
sS'CPD-17328'
p8315
S'CCCCCC=CCC=CCC=CCC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p8316
sS'CPD-15987'
p8317
S'C(O)C1(O)(C(O)C(O)C(O)CO1)'
p8318
sS'CPD-17329'
p8319
S'CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p8320
sS'TRIMETHYLAMINE'
p8321
S'C[N+](C)C'
p8322
sS'CPD-7556'
p8323
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(CO)=C)C))'
p8324
sS'CPD-7554'
p8325
S'C=C([CH]1([CH]2(C=C(CC[CH](C(CC1)C)2)C)))C'
p8326
sS'CHOCOLA_A'
p8327
S'CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O'
p8328
sS'3-HYDROXYPHENYLACETYL-COA'
p8329
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(C=CC=C(O)C=1))=O)COP(=O)(OP(=O)(OCC2(OC(C(C2OP([O-])(=O)[O-])O)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p8330
sS'TUBERACTINOMYCIN-O'
p8331
S'C(CCC([N+])CC(NC1(C(NC(C(=O)NC(C(NC(C(NC(C(NC1)=O)C2(NC(NCC2)=[N+]))=O)=CNC(=O)N)=O)CO)CO)=O))=O)[N+]'
p8332
sS'CPD-7558'
p8333
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)C)C))'
p8334
sS'ISOVITEXIN'
p8335
S'C1(C=C(O)C=CC=1C2(=CC(=O)C3(=C(O)C(=C([O-])C=C(O2)3)C4(OC(CO)C(O)C(O)C(O)4))))'
p8336
sS'4-CARBOXYBENZALDEHYDE'
p8337
S'C(C1(C=CC(C(=O)[O-])=CC=1))=O'
p8338
sS'CPD-9065'
p8339
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)O)=C(N78)C=9))))))'
p8340
sS'CPD-9064'
p8341
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)O)=C(N78)C=9))))))'
p8342
sS'L-GLYCERALDEHYDE-3-PHOSPHATE'
p8343
S'C(OP(=O)([O-])[O-])C(O)[CH]=O'
p8344
sS'CPD-9066'
p8345
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p8346
sS'CPD-9060'
p8347
S'C1(=C(C=CC=N1)C=O)'
p8348
sS'CPD-384'
p8349
S'C(O)C2(OC(OC1(CO)(OC(CO)C(O)C(O)1))C(O)C(=O)C(O)2)'
p8350
sS'CPD-385'
p8351
S'C1(=CC(C(C=C1)=O)=O)'
p8352
sS'CPD-386'
p8353
S'C([O-])(=O)C1(C(C(C=CC=1)=O)=N)'
p8354
sS'CPD-387'
p8355
S'[I-]'
p8356
sS'CPD-380'
p8357
S'C(=O)([O-])C(=O)CS(=O)(=O)[O-]'
p8358
sS'CPD-381'
p8359
S'C(=O)([O-])C(O)CCC(=O)[O-]'
p8360
sS'CPD-382'
p8361
S'C(O)C(=O)C(O)C(O)C(=O)CO'
p8362
sS'CPD-383'
p8363
S'CC1(=C(C(CO)=C(C=O)C=N1)O)'
p8364
sS'CPD-388'
p8365
S'CCCCCCCCCCCCCC[CH]=O'
p8366
sS'CPD-389'
p8367
S'C([O-])(=O)C(=O)NC(=O)N'
p8368
sS'CPD-10671'
p8369
S'CC(=O)NCC[SH]'
p8370
sS'CPD-8207'
p8371
S'C([S-])(=O)C1(=NC(C([S-])=O)=CC=C1)'
p8372
sS'4-METHYLBENZYL-ALCOHOL'
p8373
S'CC1(C=CC(=CC=1)CO)'
p8374
sS'CPD-13621'
p8375
S'CC1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p8376
sS'CPD-13620'
p8377
S'CC1(C(O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p8378
sS'CPD-13623'
p8379
S'CC1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p8380
sS'CPD-13622'
p8381
S'CC3(C)(CC4(C=C(C([O-])=O)[CH]2(C(C1(OC1)C(=O)OC2)(C3)4)))'
p8382
sS'CPD-13625'
p8383
S'CC1(C(=O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p8384
sS'CPD-13624'
p8385
S'CC3(C)(CC4(C=C(C([O-])=O)C2(C(C1(OC1)OC(=O)C2)(C3)4)))'
p8386
sS'CPD-13627'
p8387
S'CC2(C)(CC(C1(CC=C(C=O)CC1))=CCC2)'
p8388
sS'ACETYL-GLU'
p8389
S'CC(=O)NC(C([O-])=O)CCC(=O)[O-]'
p8390
sS'CPD-17104'
p8391
S'C(O)(O)C1(OC=CC=1)'
p8392
sS'2-ALPHA-LACTYL-THPP'
p8393
S'CC2([N+](CC1(=C(N)N=C(N=C1)C))=C(CC(C(=O)[O-])O)SC=2CCOP([O-])(=O)OP([O-])([O-])=O)'
p8394
sS'CPD-17105'
p8395
S'CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C5(C)(C(C)(CC(N)=O)C(CCC(=O)N)C4(C(C)=C7(C(CC(=O)N)(C)C(CCC(N)=O)C6(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co--]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))'
p8396
sS'4-HYDROXYPHENYLACETYL-COA'
p8397
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(C=CC(=CC=1)O))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p8398
sS'CPD-17106'
p8399
S'COC1(=C(O)C(OC)=CC([CH]=O)=C1)'
p8400
sS'CPD-8514'
p8401
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC'
p8402
sS'CPD-17107'
p8403
S'C([N+])CC[N+](CCC[N+])(CCC[N+])CCCC[N+]'
p8404
sS'CPD-17100'
p8405
S'[CH](=O)C1(OC([CH]=O)=CC=1)'
p8406
sS'CPD-17672'
p8407
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(O)CC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CC(OC2(C(OC)C(O)C(OC)C(C)O2))C(C)(O)C)C)C'
p8408
sS'CPD-17673'
p8409
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CC(OC2(C(OC)C(O)C(OC)C(C)O2))C(C)(O)C)C)C'
p8410
sS'CPD-17670'
p8411
S'C(C(CC(C(C([O-])=O)O)O)=O)([O-])=O'
p8412
sS'CPD-17676'
p8413
S'CC1(ON=C(C=1)C(=O)NNCC2(=CC=CC=C2))'
p8414
sS'CPD-17674'
p8415
S'CC(C1(C=CC=CC=1))=NNC(=O)C2(C=CC(O)=CC=2)'
p8416
sS'CPD-17675'
p8417
S'CC(C1(C=CC=CC=1))=NN'
p8418
sS'SINEFUNGIN'
p8419
S'C1(N=C2(C(=C(N=1)N)N=CN2C3(C(C(C(O3)CC(CCC(C(=O)[O-])[N+])[N+])O)O)))'
p8420
sS'CPD-17679'
p8421
S'C1(=CC=C(C=C1)C2(CC(N)2))'
p8422
sS'GLYCOCHOLIC_ACID'
p8423
S'CC(CCC(=O)NCC([O-])=O)[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CC(O)C(C)23)4))))'
p8424
sS'APIGENIN-7-O-BETA-D-GLUCOSIDE'
p8425
S'C1(C=C(O)C=CC=1C2(=CC(=O)C3(C(O)=CC(=CC(O2)=3)OC4(OC(CO)C(O)C(O)C(O)4))))'
p8426
sS'CPD-13561'
p8427
S'C1(SC(=NC=1)C2(=CNC4(=C2C=CC(C3(C(O)C(O)C(O)C(CO)O3))=C4)))'
p8428
sS'BETA-AMINOPROPIONITRILE'
p8429
S'C(C#N)C[N+]'
p8430
sS'CPD-13567'
p8431
S'C(O)C2(C(O)C(O)C(CO)(OCC1(C(O)C(O)C(CO)(O)O1))O2)'
p8432
sS'CPD-13564'
p8433
S'C(C1(OC(C(C(C(O)1)O)O)OC3(C(OC(OCC2(OC(C(C(C(O)2)O)O)O))C(C3O)O)CO)))O'
p8434
sS'CPD-13565'
p8435
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p8436
sS'CPD-12914'
p8437
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C([O-])=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p8438
sS'CPD-16985'
p8439
S'C=CC(C)(C)C35(C6(C(NC(N2(C(=O)C(N1(C(=O)C4(C(N=C1C2C3)=CC=CC=4)))C))5)=CC=CC=6))'
p8440
sS'CPD-11700'
p8441
S'C1(OP(=O)([O-])[O-])(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(OP([O-])(=O)[O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])1)'
p8442
sS'CPD-1008'
p8443
S'CC(C)C(=O)C=CC=C(O)C([O-])=O'
p8444
sS'CPD-11702'
p8445
S'C1(OP(=O)([O-])[O-])(C(OP(=O)([O-])[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)1)'
p8446
sS'CPD-16984'
p8447
S'CC2(N1(C(=O)C5(C(N=C1C(NC(=O)2)CC3(C4(C(NC=3)=CC=CC=4)))=CC=CC=5)))'
p8448
sS'CPD1G-108'
p8449
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))C(O)CCCCCCCCCCCCCCCCC2(CC2C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)'
p8450
sS'GAMA-TOCOPHEROL'
p8451
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=C(C)C(=C(O1)2)C))'
p8452
sS'CPD-11706'
p8453
S'C1(=CC(=O)OC=C1)'
p8454
sS'DEACETOXYVINDOLINE'
p8455
S'CCC15(C4(C2(C(C(C(OC)=O)(C1)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p8456
sS'CPD-6201'
p8457
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p8458
sS'CPD1G-106'
p8459
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(O)C(O)C(O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)C(O)CCCCCCCCCCCCCCCC2(CC2C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)'
p8460
sS'CPD-6203'
p8461
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OCC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p8462
sS'2-HYDROXYDAIDZEIN'
p8463
S'C1(C(=CC(O)=C(C=1)C3(=COC2(C=C(C=CC=2C(=O)3)O)))O)'
p8464
sS'CPD-6801'
p8465
S'CC1(C2(C(=O)C=C(OC(C=C(O)C=1)=2)CC(=O)C))'
p8466
sS'CPD-16980'
p8467
S'CC1(C)(C2(CCC3(C)([CH]4(CCC(O)(C)C(CO)C(C)(CCC(C(C)(CCC1)2)3)4))))'
p8468
sS'CPD-9250'
p8469
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)OC8(C(O)C(C(O)C(CO)O8)O)))))C)'
p8470
sS'CPD-17016'
p8471
S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(O)O1)'
p8472
sS'CPD-17017'
p8473
S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p8474
sS'CPD-17014'
p8475
S'C(O)C(=O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p8476
sS'CPD-17015'
p8477
S'C(=O)C(O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p8478
sS'CPD-17012'
p8479
S'C1(NC(=CC=1)C2(NC(C=O)=C(O)C=2))'
p8480
sS'CPD-17013'
p8481
S'COC2(=C(C=O)NC(C1(NC=CC=1))=C2)'
p8482
sS'CPD-17010'
p8483
S'C1(NC(=CC=1)C(=O)CC(=O)[O-])'
p8484
sS'CPD-8339'
p8485
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8486
sS'CPD-8336'
p8487
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8488
sS'CPD-8337'
p8489
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8490
sS'CPD-8334'
p8491
S'CCC=CCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8492
sS'CPD-8335'
p8493
S'CCC=CCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8494
sS'CPD-8332'
p8495
S'CCCCCCCCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8496
sS'CPD-8333'
p8497
S'CCCCCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8498
sS'CPD-17018'
p8499
S'C(O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p8500
sS'CPD-17019'
p8501
S'C(O)C(O)C(O)C4(C(O)C(O)C(O)C(OP([O-])(=O)OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3))))O4)'
p8502
sS'CPD-15989'
p8503
S'C(O)C1(OC(O)(CO)C(C1O)O)'
p8504
sS'CPD-10816'
p8505
S'C(O)C1(C(C(C(O)C(O1)OC2(C(C(C(C(C2O)O)O)O)O))O)O)'
p8506
sS'DIMYRISTOYLPHOSPHATIDYLCHOLINE'
p8507
S'CCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]'
p8508
sS'NONANE-46-DIONE'
p8509
S'CCCC(=O)CC(=O)CCC'
p8510
sS'CPD-8409'
p8511
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8512
sS'CPD-16380'
p8513
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p8514
sS'PHYTANATE'
p8515
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]'
p8516
sS'CPDQT-341'
p8517
S'CSCCCCC=NO'
p8518
sS'CIS-N-METHYL-S-781314-TETRAHYDROPRO'
p8519
S'C2(CC1(C=CC=CC=1C3(CC4(=CC=CC=C(C[N+](C)23)4))))'
p8520
sS'METOH'
p8521
S'CO'
p8522
sS'CPD-12296'
p8523
S'CC(CCC(C(N)=O)[N+])=O'
p8524
sS'DIHYDROXYINDOLE'
p8525
S'C1(=CNC2(=C1C=C(O)C(O)=C2))'
p8526
sS'FADH2'
p8527
S'CC1(=C(C)C=C2(N(C3(NC(NC(=O)C(NC(=C1)2)=3)=O))CC(O)C(O)C(O)COP(OP([O-])(OCC6(C(O)C(O)C(N5(C=NC4(C(N)=NC=NC=45)))O6))=O)([O-])=O))'
p8528
sS'D-MYO-INOSITOL-4-PHOSPHATE'
p8529
S'C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p8530
sS'CPD-14844'
p8531
S'C1(C(O)=C(O)C(O)=CC=1C4(OC5(C=C(O)C=C(O)C(C(=O)C(OC2(C(C(C(O)C(O2)COC3(C(C(C(O)C(O3)CO)O)O))O)O))=4)=5)))'
p8532
sS'CPDQT-4'
p8533
S'C(O)C1(C(O)C(O)C(O)C(OP([O-])([O-])=O)O1)'
p8534
sS'CPD-18600'
p8535
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C(OCC1(OC(C(C(C1O)O)OS([O-])(=O)=O)OC2(OC(C(C(C2OC(=O)CCCCCCCCCCCCCCC)OC(C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC)=O)O)COC(C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC)=O)))=O)C'
p8536
sS'CPD-15921'
p8537
S'C1(NC2(C(NO)=NC(N)=NC(N=1)=2))'
p8538
sS'CPD-11572'
p8539
S'[CH](=O)C1(OC(CO)=CC=1)'
p8540
sS'CPD0-1233'
p8541
S'CC=C(C)C(C(C)C=C(C)C=CCC(C)=CCC1(=C(C)C(C(=C(N1)OC)OC)=O))O'
p8542
sS'CPD0-1232'
p8543
S'CC(=O)N(C)C'
p8544
sS'CPD0-1231'
p8545
S'C(=O)([O-])C(S)CCC(=O)[O-]'
p8546
sS'CPD0-1230'
p8547
S'[Be++]([F-])[F-]'
p8548
sS'CPD0-1237'
p8549
S'C([O-])(=O)C=CC(=O)NCC([N+])C([O-])=O'
p8550
sS'CPD-15738'
p8551
S'CCC(=O)CC(=O)C1(=C(CC([O-])=O)C=C2(C(=C(O)1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))'
p8552
sS'CPD0-1235'
p8553
S'C(I)C(=O)NC1(C(OC(CO)C(O)C1O)O)'
p8554
sS'3S-CITRYL-COA'
p8555
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(C(=O)[O-])(O)CC([O-])=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8556
sS'CPD-15883'
p8557
S'CC1(COC4(CC1)(C(C)[CH]5(C6(C)(CC[CH]7(C8(C)(CCC(OC3(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(O)C(O)3))CC(=CC[CH]([CH](C[CH](O4)5)6)7)8))))))'
p8558
sS'CPD-15882'
p8559
S'CC(COC1(C(O)C(O)C(O)C(CO)O1))CCC2(O)(C(C)[CH]8([CH](O2)C[CH]3(C(C)(CC[CH]7([CH]3CC(OC5(C(O)C(OC4(C(O)C(O)C(O)C(C)O4))C(O)C(C)O5))[CH]6(C(C)(CCC(C6)=O)7)))8)))'
p8560
sS'CPD0-1239'
p8561
S'C(F)C(C[N+])C[N+]'
p8562
sS'CPD-15736'
p8563
S'CC5(C(O)C([N+])CC(OC4(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3CC(C(O)C)(C4)O)O)=O)O))=O))O)))O5)'
p8564
sS'CPD-15731'
p8565
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C([N+])C3)))'
p8566
sS'CPD-15730'
p8567
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)OC)4)O)=O)O))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p8568
sS'CPD-15733'
p8569
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C4)O)=O)OC))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p8570
sS'CPD-15884'
p8571
S'CC1(CC(O)C4(OC1)(C(C)C5(C6(C)(CCC7(C8(C)(CCC(O)C[CH](C(OC3(OC(C)C(O)C(OC2(OC(C)C(O)C(O)C(O)2))C(O)3))CC(C(CC(O4)5)6)7)8))))))'
p8572
sS'CPD-10549'
p8573
S'CC1(C[CH]2(C(C)(C(O)(C(=O)CO)1)CC(O)C3(F)([CH]2CCC4(C(C)3C=CC(=O)C=4))))'
p8574
sS'CPD-10548'
p8575
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(=O)C4))))'
p8576
sS'SPERMIDINE'
p8577
S'C([N+])CC[N+]CCCC[N+]'
p8578
sS'CPD-18191'
p8579
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1[O-])=2))'
p8580
sS'CPD-10541'
p8581
S'CC2(OC(C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2)OC6(CC7(CCC5(C(CCC4(C)(C(C3(COC(=O)C=3))CCC(O)45))C(C(C6)O)(C)7))))'
p8582
sS'CPD-10540'
p8583
S'CC1(OC(C(O)C(O)C(O)1)OC5(CC6(CCC4(C(CCC3(C)(C(C2(COC(=O)C=2))CCC(O)34))C(CC5)(C)6))))'
p8584
sS'CPD-10543'
p8585
S'CC1(C(O)C(O)C(O)C(O)O1)'
p8586
sS'CPD-8711'
p8587
S'CC(=C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p8588
sS'CPD-10545'
p8589
S'CC2(N(C(=O)C1(C=CC(Cl)=CC=1))C3(=C(C(CC(O)=O)=2)C=C(OC)C=C3))'
p8590
sS'CPD-10547'
p8591
S'CC(=O)C1(=CC=C([N+]([O-])=O)C=C1)'
p8592
sS'CPD-10546'
p8593
S'C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))'
p8594
sS'3-METHYLTHIOPROPYLHYDROXAMIC-ACID'
p8595
S'CSCCCC(=NO)S'
p8596
sS'CPD-18901'
p8597
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)'
p8598
sS'CPD-18900'
p8599
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCCC(C)CCCC(C)C)C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p8600
sS'CPD-18271'
p8601
S'CC(=CC(CC(=O)C([O-])=O)=O)C([O-])=O'
p8602
sS'CPD-18270'
p8603
S'CCCCCCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)([O-])[O-])OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C)=O)CCCCCCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))'
p8604
sS'CPD-18905'
p8605
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5(=N([Mg]36(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p8606
sS'CPD-18276'
p8607
S'CC1(C=CC(CO)=CC=1O)'
p8608
sS'CPD-18275'
p8609
S'CC1(C=C(O)C=C(C=1)C([O-])=O)'
p8610
sS'CPD-14289'
p8611
S'C=CC(C)(C=CC(C)CCC(C)C(=C)CCC(C)C(=C)C)CCC=C(C)CCC(C)C(=C)C'
p8612
sS'CPD-14934'
p8613
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(OC)C(O)=C3)))'
p8614
sS'CPD-14935'
p8615
S'COC1(=CC(=CC(O)=C(OC)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p8616
sS'CPD-14936'
p8617
S'COC1(C=C(C=C(OC)C(OC)=1)C2(OC3(C=C(O)C=C(O)C(C(=O)C(O)=2)=3)))'
p8618
sS'CPD-14937'
p8619
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(OC)=C(OC)C(OC)=C3)))'
p8620
sS'CPD-14282'
p8621
S'CCCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p8622
sS'CPD-14283'
p8623
S'CCCCCCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p8624
sS'CPD-14280'
p8625
S'CCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p8626
sS'CPD-14281'
p8627
S'CCCCCCCCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p8628
sS'CPD-15083'
p8629
S'C(C4(C(C(C(C(C1(=C(C=C(C2(=C1OC(=CC2=O)C3(=CC(O)=C(C=C3)O)))O)[O-]))O4)O)O)O))O'
p8630
sS'CPD-15082'
p8631
S'C1(C=CC(=CC=1)C(=O)CC(=O)C3(C(O)=C(C2(C(C(C(O)C(O2)CO)O)O))C([O-])=CC(O)=3))'
p8632
sS'CPD-15080'
p8633
S'C1(C=CC(=CC=1)C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p8634
sS'CPD-15087'
p8635
S'C(C4(C(C(C(C(C1(=C(C=C2(OC(=CC(C(=C1O)2)=O)C3(C=CC=CC=3)))[O-]))O4)O)O)O))O'
p8636
sS'CPD-15084'
p8637
S'C(C4(C(C(C(C(C1(=C(C=C(C2(=C1OC(=CC2=O)C3(C=CC=CC=3)))O)O))O4)O)O)O))O'
p8638
sS'CPD-15088'
p8639
S'C1(=CC(O)=CC=C1C(=O)CC(=O)C3(=C(O)C=C([O-])C(C2(C(C(C(O)C(O2)CO)O)O))=C(O)3))'
p8640
sS'N-6-AMINOHEXANOYL-6-AMINOHEXANOATE'
p8641
S'C(CCCCC(=O)[O-])NC(=O)CCCCC[N+]'
p8642
sS'CPD-7038'
p8643
S'COS(C)(=O)=O'
p8644
sS'CPD-7034'
p8645
S'C4(C=CC(C=C3(C(C2(C1(OCOC=1C(=CC=2O3)O)))=O))=CC=4)'
p8646
sS'CPD-7035'
p8647
S'C1(C=CC(CCO)=CC=1)'
p8648
sS'CPD-7036'
p8649
S'CSCCC=O'
p8650
sS'CPD-7037'
p8651
S'CSCCCO'
p8652
sS'CPD-7030'
p8653
S'CC(C)C(CC([O-])=O)=O'
p8654
sS'CPD-7031'
p8655
S'CC(C)C[CH]=O'
p8656
sS'CPD-7032'
p8657
S'CC(CCO)C'
p8658
sS'CPD-7033'
p8659
S'CCC(CO)C'
p8660
sS'DODECANOATE'
p8661
S'CCCCCCCCCCCC([O-])=O'
p8662
sS'CPD-846'
p8663
S'[S-]'
p8664
sS'345-TRIHYDROXY-37-DIMETHOXYFLAVONE'
p8665
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC))'
p8666
sS'CARBON-DIOXIDE'
p8667
S'C(=O)=O'
p8668
sS'CPD-7782'
p8669
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p8670
sS'CPD-7783'
p8671
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p8672
sS'CPD-7780'
p8673
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p8674
sS'CPD-7781'
p8675
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p8676
sS'CPD-7786'
p8677
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O'
p8678
sS'CPD-7787'
p8679
S'CCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O'
p8680
sS'CPD-7784'
p8681
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O'
p8682
sS'CPD-7785'
p8683
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O'
p8684
sS'CPD-7788'
p8685
S'CCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCC)=O'
p8686
sS'CPD-7789'
p8687
S'C(CCC(=O)N)[N+]'
p8688
sS'LACTALD'
p8689
S'CC([CH]=O)O'
p8690
sS'CPD-14428'
p8691
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C3(OC(=O)C=CC(C=CC(O)=2)=3)))'
p8692
sS'CPD-14429'
p8693
S'C2(C=CC1(=CC(O)=C(C=C1O2)OC3(C(C(C(O)C(O3)CO)O)O)))(=O)'
p8694
sS'CPD-14422'
p8695
S'CCC=CCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8696
sS'CPD-14423'
p8697
S'CCC=CCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8698
sS'CPD-14420'
p8699
S'CCC=CCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8700
sS'KDO2-LIPID-IVA-COLD'
p8701
S'CCCCCCC=CCCCCCCCC(OC(CCCCCCCCCCC)CC(=O)NC3(C(OC(COC1(CC(C(C(O1)C(CO)O)O)OC2(CC(C(C(O2)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)3)OCC4(C(C(C(C(OP([O-])(=O)[O-])O4)NC(CC(CCCCCCCCCCC)O)=O)OC(CC(CCCCCCCCCCC)O)=O)O)))=O'
p8702
sS'CPD-14427'
p8703
S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p8704
sS'CPD-14424'
p8705
S'CCC=CCC=CCC=CCC=CCC=CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8706
sS'CPD-14425'
p8707
S'CCC=CCC=CCC=CCC=CCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8708
sS'TRIETHYLAMINE'
p8709
S'CC[N+](CC)CC'
p8710
sS'CPD0-2212'
p8711
S'CC(C(=O)NC(C)C(=O)O)NC(=O)C2(CCCC(NC(=O)C(CCCC(N)C(=O)O)NC(=O)C(CCC(=O)[O-])NC(C(C)NC(=O)C(C)OC5(C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)OC(OC4(C(O)C(NC(=O)C)C(OC3(C(CO)OC=C(NC(C)=O)C(OC(C(NC(C(=O)NC(CCC(O)=O)C(=O)N2)C)=O)C)3))OC(CO)4))C(NC(C)=O)5))=O)C(=O)[O-])'
p8712
sS'CPD0-2213'
p8713
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC6(C(OC5(OC(CO)C(OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))C(O)C(NC(=O)C)5))C(CO)OC(C(NC(=O)C)6)O[R1])'
p8714
sS'CPD0-2214'
p8715
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC%19(OC(C(O)C(OC%18(C(OC(C)=O)C(OC%17(OC(COC%16(C(OC%14(OC(C(O)C(OC%13(C(OC(C)=O)C(OC%12(OC(COC%11(C(OC9(OC(C(O)C(OC8(C(OC(C)=O)C(OC7(OC(COC6(C(OC4(OC(C(O)C(OC3(C(OC(C)=O)C(OC2(OC(COC1(C(O)C(O)C(C(CO)O)O1))C(O)C(O)C(O)2))C(O)C(C)O3))C(NC(=O)C)4)COC5(C(O)C(O)C(O)C(CO)O5)))C(O)C(C(CO)O)O6))C(O)C(O)C(O)7))C(O)C(C)O8))C(NC(=O)C)9)COC%10(C(O)C(O)C(O)C(CO)O%10)))C(O)C(C(CO)O)O%11))C(O)C(O)C(O)%12))C(O)C(C)O%13))C(NC(=O)C)%14)COC%15(C(O)C(O)C(O)C(CO)O%15)))C(O)C(C(CO)O)O%16))C(O)C(O)C(O)%17))C(O)C(C)O%18))C(NC(=O)C)%19)COC%20(C(O)C(O)C(O)C(CO)O%20)))C)C)C)C)C)C)C'
p8716
sS'CPD0-2215'
p8717
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])OC1(C(NC(C)=O)C(C(O)C(CO)O1)OC3(OC(C)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(OC(=O)C)3))'
p8718
sS'CPD0-2216'
p8719
S'CCCCCCC1(CC1CCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC2(CC(CCCCCC)2))=O)'
p8720
sS'CPD0-2217'
p8721
S'CCCCCCC1(CC1CCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(O)CO)OC(CCCCCCCCCC2(CC(CCCCCC)2))=O)'
p8722
sS'CPD0-2218'
p8723
S'CCCCCCC1(CC1CCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCCCC2(CC(CCCCCC)2))=O)'
p8724
sS'CPD0-2219'
p8725
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])OC1(C(NC(C)=O)C(C(O)C(CO)O1)OC4(OC(C)C(O)C(OC3(OC(COC2(OC(C(O)CO)C(O)C(O)2))C(O)C(O)C(O)3))C(OC(=O)C)4))'
p8726
sS'P-NITROPHENYL-ACETATE'
p8727
S'CC(=O)OC1(=CC=C(C=C1)[N+]([O-])=O)'
p8728
sS'CILASTATIN'
p8729
S'CC1(C)(CC1C(=O)NC(=CCCCCSCC([N+])C(=O)[O-])C([O-])=O)'
p8730
sS'L-N2-2-CARBOXYETHYLARGININE'
p8731
S'C(CCC(NCCC(=O)[O-])C(=O)[O-])NC(=[N+])N'
p8732
sS'CPD-558'
p8733
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCC([O-])=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8734
sS'CPD-551'
p8735
S'[CH](CP([O-])(O)=O)=O'
p8736
sS'CPD-553'
p8737
S'C2(C=CC(C(OC1(OC(CO)C(O)C(O)C(O)1))C#N)=CC=2)'
p8738
sS'CPD-552'
p8739
S'[O-]S(=O)(=O)SS(=O)([O-])=O'
p8740
sS'CPD-554'
p8741
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCCC(=O)1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p8742
sS'CPD-10468'
p8743
S'CSCCC(C([O-])=O)O'
p8744
sS'CPD-556'
p8745
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C5(C(C)3CCC(OC4(OC(CO)C(O)C(O)C(O)4))C5))))'
p8746
sS'CPD-13812'
p8747
S'C1(C=C3(C(=CC(O)=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p8748
sS'CPD-13810'
p8749
S'CCC1(C(O)(C)C(O)C(C)C(=NOCOCCOC)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(OC)C2)C))C)OC3(OC(CC([N+](C)C)C(O)3)C))'
p8750
sS'CPD-13811'
p8751
S'C1(C=C3(C(=CC=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p8752
sS'CPD-13817'
p8753
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]4(CC[CH]5(C(=O)CCCC(C)45))'
p8754
sS'DEOXYLIMONONIC-ACID-D-RING-LACTONE'
p8755
S'CC2(C(C1(CO)(C(CC(=O)[O-])OC(C(CC(=O)[O-])1)(C)C))CCC3(C=2CC(OC3C4(C=COC=4))=O)C)'
p8756
sS'CO3'
p8757
S'C([O-])(=O)[O-]'
p8758
sS'CPD-16382'
p8759
S'CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p8760
sS'CPD-6781'
p8761
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p8762
sS'CPD-6783'
p8763
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)C(O)1)'
p8764
sS'CPD-6782'
p8765
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)C(O)1)'
p8766
sS'CPD-8928'
p8767
S'C1(C=C6(OCOC(=CC=1C2(OC[CH]3(C(OC[CH]23)OC4(=CC5(OCOC(C=C4)=5)))))6))'
p8768
sS'CPD-8923'
p8769
S'C1(CCCCC1)'
p8770
sS'CPD-8922'
p8771
S'C6(OC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C5O6))'
p8772
sS'CPD-8921'
p8773
S'COC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C(O)5)'
p8774
sS'CPD-8927'
p8775
S'COC1(C=C(C=CC(O)=1)OC2(OC[CH]3(C(OC[CH]23)C4(=CC=C5(OCOC(=C4)5)))))'
p8776
sS'CPD-8926'
p8777
S'C1(N=CN(C=1)C(C2(=C(Cl)C=CC=C2))(C3(C=CC=CC=3))C4(C=CC=CC=4))'
p8778
sS'CPD-8925'
p8779
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC6(=CC=C(OC5(=C(C=CC(CC3([N+](CCC4(=C3C=C(C(OC)=C4)O))C))=C5)O))C=C6))C)'
p8780
sS'CPD-8924'
p8781
S'COC3(=C(OC)C=C1(C(C([N+](CC1)C)CC2(=CC(=C(OC)C=C2)O))=C3))'
p8782
sS'CPD-12333'
p8783
S'C=C3(C2(CCC4(C15(CCCC(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)))O)'
p8784
sS'CPD-11559'
p8785
S'C(=O)([O-])C(CC1(C=CC=CC=1))NC2(=CNC3(=C2C=CC=C3))'
p8786
sS'CPD-11558'
p8787
S'CC3(C=C([O-])C(C1(OC(CO)C(O)C(O)C(O)1))=C2(OC(CC(=O)C)=CC(=O)C2=3))'
p8788
sS'CPD-8612'
p8789
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)([CH]=O)C(O)CC3)))CC4)))C'
p8790
sS'CPD-11555'
p8791
S'CC1(O)(CC(=O)C3(C(O1)=CC(O)=CC(CC2(OC(=O)C=C([O-])C=2))=3))'
p8792
sS'CPD-11554'
p8793
S'CC2(C=C(O)C=C(O)C(C(CC1(=CC([O-])=CC(=O)O1))=O)=2)'
p8794
sS'CPD-11557'
p8795
S'CC3(C=C(O)C=C(OC1(OC(CO)C(O)C(O)C(O)1))C(C2(=CC(OC)=CC(=O)O2))=3)'
p8796
sS'CPD-11556'
p8797
S'CC3(C=C(O)C=C2(OC(O)(CC1(=CC([O-])=CC(=O)O1))CC(=O)C2=3))'
p8798
sS'CPD-11550'
p8799
S'CC(C(=O)O)(CC1(C=CC(=C(C=1)O)O))NN'
p8800
sS'CPD-11553'
p8801
S'CC2(C(C1(=CC([O-])=CC(=O)O1))=C(O)C=C(O)C=2)'
p8802
sS'CPD-11552'
p8803
S'C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)'
p8804
sS'CPD-1066'
p8805
S'CC(CCC(C(=O)[O-])[N+])[N+]'
p8806
sS'CPD-1061'
p8807
S'C(CCCC(C([O-])=O)[N+])NC(=O)CC1(C2(=CC=CC=C(NC=1)2))'
p8808
sS'CPD-1063'
p8809
S'CSCC(O)C(O)C(=O)COP([O-])(=O)[O-]'
p8810
sS'CPD-1069'
p8811
S'C([O-])(=O)C=CC(=CC([O-])=O)C=CC([O-])=O'
p8812
sS'TRIACETATE'
p8813
S'CC(O)=CC(O)=CC(=O)[O-]'
p8814
sS'NUKED-PENTOSE-RING'
p8815
S'C(C1(C(C(CO1)O)O))O'
p8816
sS'3-O-BETA-GLUCOSYL-2-OXINDOLE-3-ACETYL-'
p8817
S'C(C1(C(C(C(C(O1)OC2(C(=O)NC3(=C2C=CC=C3))(CC(=O)NC(CC(=O)[O-])C([O-])=O))O)O)O))O'
p8818
sS'ISOVALERATE'
p8819
S'CC(C)CC([O-])=O'
p8820
sS'CPD-15461'
p8821
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)CO1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)O))))C)'
p8822
sS'N-34-DICHLOROPHENYLMALONATE'
p8823
S'C(CC(NC1(C=C(C(Cl)=CC=1)Cl))=O)([O-])=O'
p8824
sS'3-KETOTHREONATE'
p8825
S'C(C(C(C([O-])=O)O)=O)O'
p8826
sS'CPD-8411'
p8827
S'CCCCCCCCC=CCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p8828
sS'OX-COENZYME-F420'
p8829
S'CC(C(=O)NC(C([O-])=O)CCC(=O)NC(C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(C(C(=O)[N-]C(=O)N=1)=CC2(=CC=C(O)C=C23)))'
p8830
sS'UDP-GLUCURONATE'
p8831
S'C3(=CC(NC(N(C1(OC(C(C1O)O)COP(=O)(OP([O-])(OC2(C(C(C(C(O2)C([O-])=O)O)O)O))=O)[O-]))3)=O)=O)'
p8832
sS'GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH'
p8833
S'[CH](=O)CCCNC(=O)CCC([N+])C(=O)[O-]'
p8834
sS'CPD-730'
p8835
S'CCC=CCC1(C(=O)CCC(CCCCCCCC([O-])=O)1)'
p8836
sS'RIBOSE-TRIPHOSPHATE'
p8837
S'C(OP(OP(=O)([O-])OP(=O)([O-])[O-])(=O)[O-])C1(C(O)C(O)C(O)O1)'
p8838
sS'CPD8J2-2'
p8839
S'C(C1(C(C(C(C(OC(CC([O-])=O)C(=O)[O-])O1)[N+])O)O))O'
p8840
sS'CPD8J2-3'
p8841
S'C(C1(C(C(C(C(OC(CC(=O)[O-])C([O-])=O)O1)NC(=O)C(CS)[N+])O)O))O'
p8842
sS'CPD8J2-1'
p8843
S'CC(NC1(C(OC(CC([O-])=O)C(=O)[O-])OC(C(C1O)O)CO))=O'
p8844
sS'CPD0-2101'
p8845
S'C1(NC2(N=C(N)NC(=O)C(NC1C(O)C(O)CO)=2))'
p8846
sS'DTDP-DEOH-DEOXY-MANNOSE'
p8847
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(=O)C(O)C(O)2))O3))'
p8848
sS'CPD0-1258'
p8849
S'C([N+])C(O)C[N+]'
p8850
sS'INDOLE-3-ACETYL-ALA'
p8851
S'CC(C([O-])=O)NC(CC2(C1(C=CC=CC=1NC=2)))=O'
p8852
sS'CPD-17242'
p8853
S'CC(C(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(=C(C(=O)NC(=O)N1)CC2(=CC=C(O)C=C23)))'
p8854
sS'CPD-17241'
p8855
S'CC(C(=O)NC(C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(=C(C(=O)NC(=O)N1)CC2(=CC=C(O)C=C23)))'
p8856
sS'CPD-17240'
p8857
S'CC(=O)NCC1(OC=C(C=1)COC2(=CC=C(CCNC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CC(NC(CC(C(NC(CCC(NC(CCC(NC(CCC([O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)O)=O)C([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2))'
p8858
sS'CPD-17245'
p8859
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)SC)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p8860
sS'CPD-10732'
p8861
S'CC(=CC=CC(C)=O)CO'
p8862
sS'2-HYDROXY-6-2-CARBOXYPHENYL-6-OXO-24-'
p8863
S'C1(C=C(C(C=CC=C(O)C(=O)[O-])=O)C(C(=O)[O-])=CC=1)'
p8864
sS'CPD-7819'
p8865
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O'
p8866
sS'2-AMINO-3-KETOADIPATE'
p8867
S'C(CC(=O)[O-])C(=O)C(N)C(=O)[O-]'
p8868
sS'BIPHENYL'
p8869
S'C1(C=CC(=CC=1)C2(C=CC=CC=2))'
p8870
sS'7-O-METHYLLUTEONE'
p8871
S'CC(C)=CCC1(C(O)=C2(C(=O)C(=COC(=CC(OC)=1)2)C3(=CC=C(O)C=C(O)3)))'
p8872
sS'CPD-10735'
p8873
S'C(OP([O-])(=O)[O-])C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O'
p8874
sS'CPD-7813'
p8875
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p8876
sS'CPD-7816'
p8877
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p8878
sS'CPD-7817'
p8879
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)=O'
p8880
sS'CPD-7814'
p8881
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p8882
sS'CPD-7815'
p8883
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p8884
sS'ENT-KAUR-16-EN-19-OL'
p8885
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC(C)2[CH]3CC4))))'
p8886
sS'DIETHYLPYROCARBONATE'
p8887
S'CCOC(OC(OCC)=O)=O'
p8888
sS'14-DICHLOROBENZENE-DIHYDRODIOL'
p8889
S'C1(=C(Cl)C(O)C(O)C(=C1)Cl)'
p8890
sS'CPD-12392'
p8891
S'CSCCCCC#N=O'
p8892
sS'CPD-12393'
p8893
S'CSCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8894
sS'CPD-12390'
p8895
S'CSCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8896
sS'CPD-12391'
p8897
S'CSCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p8898
sS'CPD-12396'
p8899
S'CSCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8900
sS'CPD-12397'
p8901
S'CSCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p8902
sS'CPD-12394'
p8903
S'CSCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p8904
sS'CPD-12395'
p8905
S'CSCCCCCC#N=O'
p8906
sS'CPD-12398'
p8907
S'CSCCCCCCC#N=O'
p8908
sS'CPD-12399'
p8909
S'CSCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8910
sS'CPD-15548'
p8911
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C(O)C(O)3)))'
p8912
sS'DMSO'
p8913
S'CS(=O)C'
p8914
sS'BILIRUBIN-GLUCURONOSIDE'
p8915
S'C=CC1(=C(C(NC1=CC2(=C(C(=C(N2)CC3(NC(=C(C=3CCC(=O)OC4(C(C(C(C(O4)C(=O)[O-])O)O)O))C)C=C5(NC(C(=C5C)C=C)=O)))CCC(=O)[O-])C))=O)C)'
p8916
sS'NICOTINATE_NUCLEOTIDE'
p8917
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p8918
sS'DTDP-L-DIHYDROSTREPTOSE'
p8919
S'CC3(=CN(C2(OC(COP(OP(OC1(C(C(CO)(O)C(O1)C)O))([O-])=O)([O-])=O)C(C2)O))C(NC(=O)3)=O)'
p8920
sS'MENADIOL'
p8921
S'CC1(=CC(O)=C2(C=CC=CC(=C(O)1)2))'
p8922
sS'CPD-9865'
p8923
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C)C'
p8924
sS'CPD-4544'
p8925
S'[O-][Te]([O-])=O'
p8926
sS'CPD-9867'
p8927
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C)C)C)C)C'
p8928
sS'CPD-9866'
p8929
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C)C)C)C'
p8930
sS'CPD-4541'
p8931
S'CCC(=C(C1(=CC=CC=C1))C2(=CC=C(C=C2)OCC[N+](C)C))C3(C=CC=CC=3)'
p8932
sS'CPD-4543'
p8933
S'CC(C)C(C#N)(CCC[N+](C)CCC1(C=CC=CC=1))C2(C=CC=CC=2)'
p8934
sS'CPD-9862'
p8935
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C)C)C'
p8936
sS'CPD-9869'
p8937
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C)C)C)C)C)C'
p8938
sS'CPD-9868'
p8939
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C)C)C)C'
p8940
sS'CPD-11285'
p8941
S'C1(SC=CN=1)NS(=O)(=O)C2(C=CC(=CC=2)N)'
p8942
sS'L-DELTA1-PYRROLINE_5-CARBOXYLATE'
p8943
S'C1(=NC(CC1)C(=O)[O-])'
p8944
sS'CPD-14170'
p8945
S'CCC1(C=CC=CC(O)=1)'
p8946
sS'CPD3DJ-11366'
p8947
S'CCCCCCCCCCCCCC=CC(O)C([N+])COP(=O)([O-])[O-]'
p8948
sS'CPD-15544'
p8949
S'C[N+]1(=CN(C2(N=C(N)NC(=O)C1=2))C3(OC(CO)C(O)C(O)3))'
p8950
sS'S-NORLAUDANOSOLINE'
p8951
S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)O))CC3(=CC(=C(O)C=C3)O))'
p8952
sS'CPD-14172'
p8953
S'CC(C)(C)C1(C=CC=CC(O)=1)'
p8954
sS'OCTAPRENYL-DIPHOSPHATE'
p8955
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p8956
sS'CPD-14174'
p8957
S'C([N+])NC(=O)N'
p8958
sS'CPD-9633'
p8959
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(OC)=C(C(C(=O)C=1C(=C2)O)=3)O)OC)OC)))'
p8960
sS'3-OXOADIPATE-ENOL-LACTONE'
p8961
S'C1(CC(=O)OC=1CC([O-])=O)'
p8962
sS'CPD-18596'
p8963
S'CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p8964
sS'CPD-14636'
p8965
S'CC(O)(C)CC([N+])C([O-])=O'
p8966
sS'CPD-18594'
p8967
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C([O-])=O'
p8968
sS'CPD-18595'
p8969
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)C(O)C(C)C([O-])=O'
p8970
sS'CPD-18592'
p8971
S'CCCCCCCCC=CCCCCCCC(C)CC(C)C([O-])=O'
p8972
sS'CPD-14632'
p8973
S'CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]5(CC(OC1(C(OC)C(O)C(O)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)O)5))))'
p8974
sS'CPD-18590'
p8975
S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CCP(=O)([O-])C)NC(C)=O'
p8976
sS'CPD-18591'
p8977
S'CCCCCCCCCCCCCCCCC(C)CC(C)C(=O)[O-]'
p8978
sS'CPD-4122'
p8979
S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))'
p8980
sS'CPD-18494'
p8981
S'CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p8982
sS'CPD-18598'
p8983
S'CC=CC(=O)OC1(CC3(OC5(C(C)(C1(C)C2(OC2)3)C4(OC4C(C)=C5))))'
p8984
sS'CPD-14638'
p8985
S'CC(C(=O)C)C([N+])C(=O)[O-]'
p8986
sS'OCTANOL'
p8987
S'CCCCCCCCO'
p8988
sS'CPD-13045'
p8989
S'C=CC2(C1(O)(C(C(=O)OCC1)=COC2OC3(OC(CO)C(O)C(O)C(O)3)))'
p8990
sS'CPD-13044'
p8991
S'CC(O)C(=O)CC(=O)C([O-])=O'
p8992
sS'CPD-13047'
p8993
S'CC1(C(=O)CC[CH]5(C(C)1CC[CH]4(C(C)(CCC3(C)([CH]2(CC(C)(C)CCC(C)2CCC(C)34)))5)))'
p8994
sS'CPD-13046'
p8995
S'C(O)C1(O)(COC(O)C(O)1)'
p8996
sS'CPD-13041'
p8997
S'C1(=CC2(=C(O1)C(O)=C3(C(=C2)C=CC(=O)O3)))'
p8998
sS'CPD-13040'
p8999
S'CCCC(OCC(OC(CCC)=O)CO)=O'
p9000
sS'CPD-13043'
p9001
S'C12(=C(C(C([O-])=O)=CN1)C(=O)NC(N)=N2)'
p9002
sS'CPD-13042'
p9003
S'COC3(C1(=C(C=CO1)C=C2(C=CC(OC2=3)=O)))'
p9004
sS'CPD-13049'
p9005
S'CC1(C)(CCC2(C)([CH](C1)C3(C)(C(C)(CC2)C4([CH](CC3)C5(C)([CH](CC=4)C(C)(C)C(O)CC5)))))'
p9006
sS'CPD-13048'
p9007
S'CC1(C)(CCC2(C)([CH](C1)C3(C)(C(C)(CC2)[CH]4(C(C)(CC3)[CH]5(C(=CC4)C(C)(C)C(O)CC5)))))'
p9008
sS'CPD-18739'
p9009
S'C1(C=CC(=CC=1)OC2(C=CC=CC=2))'
p9010
sS'CPD-18048'
p9011
S'C([N+])C1(C(CC(C(O1)OC2(C(C(C([N+])CC([N+])2)OC3(OC(C(C(C(OP([O-])(=O)[O-])3)[N+])O)CO))O))[N+])O)'
p9012
sS'CPD-18049'
p9013
S'C([N+])C1(CCC(C(O1)OC2(C(C(C([N+])CC([N+])2)OC3(OC(C(C(C(OP([O-])(=O)[O-])3)[N+])O)CO))O))[N+])'
p9014
sS'CPD-18732'
p9015
S'C(=O)(N)NC'
p9016
sS'CPD-18045'
p9017
S'CC(=O)C1(=C(O)C(=C(O)C=C(O)1)C(=O)C)'
p9018
sS'CPD-18046'
p9019
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C([N+])C(OP([O-])(=O)[O-])3))[N+]))'
p9020
sS'CPD-18047'
p9021
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C([N+])C(OP([O-])(=O)[O-])3))[N+]))'
p9022
sS'CPD-18736'
p9023
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(O)2)[O-]))'
p9024
sS'CPD-18737'
p9025
S'CC(=CC=CC(C)C(=O)[O-])C1(C(C(C(=O)[O-])[N+]C1)CC([O-])=O)'
p9026
sS'CPD-18734'
p9027
S'C(=O)([O-])C(O)C(O)C(O)COP(=O)([O-])[O-]'
p9028
sS'CPD-18043'
p9029
S'C3(N=C2(C(N)=CC1(=CC(O)=C(O)C=C1N2C(C3)C(=O)N[R])))'
p9030
sS'CPD-1881'
p9031
S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])[S-])'
p9032
sS'CPD-17818'
p9033
S'CCCCCCCCCCCCCCOC(=O)C'
p9034
sS'CPD-10456'
p9035
S'CC2(C([N+](=O)[O-])=CC(NC1(OC(CO)C(O)C(O)C(O)1))=CC([N+]([O-])=O)=2)'
p9036
sS'CPD-17814'
p9037
S'CCCCC=CCCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p9038
sS'CPD-17815'
p9039
S'CCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9040
sS'CPD-17812'
p9041
S'CCC=CCCCCCCCCCCOC(=O)C'
p9042
sS'CPD-17813'
p9043
S'CCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p9044
sS'CPD-17810'
p9045
S'CCCCC=CCCCCCCCCOC(=O)C'
p9046
sS'CPD-17811'
p9047
S'CCC=CCCCCCCCCCCO'
p9048
sS'CPD-15499'
p9049
S'CC(C)CCCC(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(O)C[CH](C(=O)C=C23)4))))'
p9050
sS'SULFUR-DIOXIDE'
p9051
S'O=S=O'
p9052
sS'CPD-10451'
p9053
S'CC1(C(N=O)=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p9054
sS'CPD-14777'
p9055
S'C(OP([O-])(=O)[O-])C(OC(=O)CCCCCCCCCCCCCCC(=O)[O-])CO'
p9056
sS'CPD-17893'
p9057
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)O)O))[O-])C'
p9058
sS'GLUCOSAMINE-1P'
p9059
S'C(O)C1(OC(OP(=O)([O-])[O-])C([N+])C(O)C(O)1)'
p9060
sS'CHLORATE'
p9061
S'Cl(=O)(O)=O'
p9062
sS'CPD-7206'
p9063
S'CC(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)=CC=CC=C(C=CC=C(C=O)C)C'
p9064
sS'2-KETOGLUTARATE'
p9065
S'C(CC([O-])=O)C(=O)C([O-])=O'
p9066
sS'CPD-17620'
p9067
S'CC(O)CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9068
sS'CPD0-938'
p9069
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC%11(C([O-])=O)(OC(C(O)CO)C(OC9(OC(C(CO)O)C(C(OC8(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC5(C(C(C(C(COC4(OC(CO)C(O)C(O)C(O)4))O5)O)OC6(C(C(C(C(CO)O6)O)O)OC7(C(O)C(C(C(CO)O7)O)O)))O))C8O)OP([O-])(=O)[O-]))C9O)OP([O-])(=O)[O-]))C(OC%10(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C%10))C%11))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9070
sS'CPD-7204'
p9071
S'CC1(CCCC(C=1C=CC(=O)C)(C)C)'
p9072
sS'BIPHENYL-23-DIOL'
p9073
S'C1(C=CC(=CC=1)C2(=CC=CC(O)=C(O)2))'
p9074
sS'CPD-15491'
p9075
S'C1(C=COC=1)'
p9076
sS'CPD0-932'
p9077
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC7(C([O-])=O)(OC(C(O)CO)C(OC5(OC(C(CO)O)C(C(OC4(OC(C(CO)O)C(C(OC3(C(C(C(C(CO)O3)O)O)O))C4O)O))C5O)O))C(OC6(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C6))C7))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9078
sS'CPD0-933'
p9079
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC7(C([O-])=O)(OC(C(O)CO)C(OC5(OC(C(CO)O)C(C(OC4(OC(C(CO)O)C(C(OC3(C(C(C(C(CO)O3)O)O)O))C4O)O))C5O)OP([O-])(=O)[O-]))C(OC6(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C6))C7))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9080
sS'CPD0-930'
p9081
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC6(C([O-])=O)(OC(C(O)CO)C(OC4(OC(C(CO)O)C(C(OC3(OC(C(CO)O)C(C(O)C3O)O))C4O)O))C(OC5(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C5))C6))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9082
sS'CPD0-936'
p9083
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC9(C([O-])=O)(OC(C(O)CO)C(OC7(OC(C(CO)O)C(C(OC6(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC5(C(C(C(C(COC4(OC(CO)C(O)C(O)C(O)4))O5)O)O)O))C6O)OP([O-])(=O)[O-]))C7O)OP([O-])(=O)[O-]))C(OC8(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C8))C9))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9084
sS'CPD0-937'
p9085
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC%10(C([O-])=O)(OC(C(O)CO)C(OC8(OC(C(CO)O)C(C(OC7(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC5(C(C(C(C(COC4(OC(CO)C(O)C(O)C(O)4))O5)O)OC6(C(C(C(C(CO)O6)O)O)O))O))C7O)OP([O-])(=O)[O-]))C8O)OP([O-])(=O)[O-]))C(OC9(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C9))C%10))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9086
sS'CPD0-934'
p9087
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)O))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9088
sS'CPD0-935'
p9089
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC8(C([O-])=O)(OC(C(O)CO)C(OC6(OC(C(CO)O)C(C(OC5(OC(C(COC3(OC(C(CO)O)C(C(O)C3O)O))O)C(C(OC4(C(C(C(C(CO)O4)O)O)O))C5O)OP([O-])(=O)[O-]))C6O)OP([O-])(=O)[O-]))C(OC7(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C7))C8))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9090
sS'CPD66-26'
p9091
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(CO)12))[CH](CCC(=O)3)4))'
p9092
sS'CPD-9749'
p9093
S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p9094
sS'CPD-7200'
p9095
S'CC1(CC(CC(C=1C=CC(=O)C)(C)C)O)'
p9096
sS'CPD-8693'
p9097
S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C=O)C)CC=C2C=3)C)))C'
p9098
sS'CPD66-25'
p9099
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(C=O)12))[CH](CCC(=O)3)4))'
p9100
sS'CPD-17898'
p9101
S'CCC(=CCCC(CC)=CC(=O)OC)CCC1(OC(C)(CC)1)'
p9102
sS'CPD-13539'
p9103
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C'
p9104
sS'CPD-17899'
p9105
S'CC(CCC2(OC(CCC1(C(C)(O1)C))2C))=CC(=O)OC'
p9106
sS'CPD-13538'
p9107
S'CC(=CC=CC(C)=CCO)C=CC1(=C(C)CCCC(C)(C)1)'
p9108
sS'CPD-8697'
p9109
S'CC(C3(CCC2(C1(C(C(CCC1)(C)C)CCC=2C=3)C)))C'
p9110
sS'CPD-8696'
p9111
S'CC(=C3(CC[CH]2(C1(C(C(CCC1)(C)C)CCC2=C3)C)))C'
p9112
sS'MELILOTATE'
p9113
S'C(CCC1(C(=CC=CC=1)O))([O-])=O'
p9114
sS'N-METHYLHEXANAMIDE'
p9115
S'CCCCCC(=O)NC'
p9116
sS'CPD-15279'
p9117
S'C[N+](C)(C)C(CC1(=CNC(S(=O)CC(C([O-])=O)NC(=O)CCC([N+])C(=O)[O-])=N1))C(=O)[O-]'
p9118
sS'CPD-15274'
p9119
S'CC4(C)(C2(C(C1(C=CC=CC=1N2))=O)(CC35(C(N6(CCCC(C([NH]3)=O)(C[CH]45)6))=O)))'
p9120
sS'CPD-15275'
p9121
S'C2(C(C(=O)CCC1(C(=CC(=CC(O)=1)O)O))=CC=C(C=2)O)'
p9122
sS'CPD-12800'
p9123
S'Cl[O-]'
p9124
sS'CPD-15277'
p9125
S'C[N+](C)(C)C(CC1(=CNC(S(=O)CC(C([O-])=O)[N+])=N1))C(=O)[O-]'
p9126
sS'CPD-12806'
p9127
S'CCOP(OCC)(=S)SCSC(C)(C)C'
p9128
sS'CPD-15272'
p9129
S'C4(C(C2(=[O+]C1(C=C(C=C(C=1C=C2)OC3(C(C(C(O)C(O3)CO)O)O))[O-])))=CC=C(C=4)O)'
p9130
sS'CPD-15273'
p9131
S'C=CC(C)(C)C2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p9132
sS'CPD-8128'
p9133
S'CCC([N+](=O)[O-])C(C)O'
p9134
sS'5Z7E9E14Z17Z-EICOSAPENTAENOATE'
p9135
S'CCC=CCC=CCCCC=CC=CC=CCCCC(=O)[O-]'
p9136
sS'CPD-942'
p9137
S'C2(C=CC3(SC1(C=CC=CC=1C(C=2)=3)))'
p9138
sS'CPD-943'
p9139
S'C3(C=CC2(=C(C1(C=CC=CC=1S2=O))C=3))'
p9140
sS'CPD-941'
p9141
S'CCC(C(SCCC(CCCCC(N)=O)S)=O)C'
p9142
sS'CPD-946'
p9143
S'C1(C=CC(=CC=1)C2(C=CC=CC=2O))'
p9144
sS'CPD-5683'
p9145
S'C1(=O)(NC(CCCCCC([O-])=O)SC1)'
p9146
sS'CPD-944'
p9147
S'C3(C=CC2(=C(C1(C=CC=CC=1S2(=O)=O))C=3))'
p9148
sS'CPD-945'
p9149
S'C1(C=CC(=C(C=1)C2(C=CC=CC(S([O-])=O)=2))O)'
p9150
sS'CPD-14649'
p9151
S'CC(C=CC1(=C(C)CCCC(C)(C)1))=COC2(C=C(C)C(=O)O2)'
p9152
sS'PAPS'
p9153
S'C(OP(=O)([O-])OS(=O)(=O)[O-])C1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p9154
sS'CPD-13162'
p9155
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(NC(=O)C)C(O)C(=O)4)'
p9156
sS'CPD-13163'
p9157
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(NC(=O)C)C(O)C([N+])4)'
p9158
sS'PENTOSE-RING'
p9159
S'C(C1(OC(C(O)C(O)1)O))O'
p9160
sS'CPD-13796'
p9161
S'CCC(C(CO)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p9162
sS'4-TOLUENESULFONATE'
p9163
S'CC1(C=CC(=CC=1)S([O-])(=O)=O)'
p9164
sS'CPD-9269'
p9165
S'C=CCS(=O)CC([N+])C([O-])=O'
p9166
sS'CIS-DIHYDRODIOL-DERIV-PHEAC'
p9167
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(C(C=CC=C1)O)O)=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p9168
sS'CPD-9266'
p9169
S'CC1(=[NH]C=C(C(=C1[OH-])C=[NH+][R1])COP(=O)(=O)O)'
p9170
sS'CPD-4302'
p9171
S'COC2(=CC(O)=CC=C(C(=O)C=C([O-])C1(=CC=C(O)C=C1))2)'
p9172
sS'CPD-9261'
p9173
S'C(O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p9174
sS'CPD-9260'
p9175
S'C(=O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p9176
sS'QUINALDATE'
p9177
S'C([O-])(=O)C1(C=CC2(=CC=CC=C(N=1)2))'
p9178
sS'CPD-10896'
p9179
S'C(=O)([O-])COC1(C=C(Cl)C(Cl)=CC(Cl)=1)'
p9180
sS'CPD-10895'
p9181
S'C1(=C(Cl)C(Cl)=CC([O-])=C(Cl)1)'
p9182
sS'CPD-10894'
p9183
S'C1(C=C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])=CC=1C2(OC3(C=C(C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)OS(=O)(=O)[O-])))'
p9184
sS'CPD-10893'
p9185
S'C1(C=C(OS(=O)(=O)[O-])C(O)=CC=1C2(OC3(C=C(C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)OS(=O)(=O)[O-])))'
p9186
sS'CPD-10891'
p9187
S'CC1(=C(C(N)=NC(N)=N1)C2(C=CC(=C(C=2)Cl)Cl))'
p9188
sS'CPD-10890'
p9189
S'CN(C)CCOC(C1(C=CC=CC=1))C2(C=CC=CC=2)'
p9190
sS'CPD-10898'
p9191
S'C1(=C(C(O)=CC(=C1Cl)O)O)'
p9192
sS'SALICYLAMIDE'
p9193
S'C1(=CC(C(=O)N)=C(C=C1)O)'
p9194
sS'CPD-11751'
p9195
S'C2(NC1(C(Cl)=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p9196
sS'5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY'
p9197
S'CCCCCC(O)C=CC1(C(O)CC(O)C(CC=CCCCC(=O)[O-])1)'
p9198
sS'2-PHENYL-2-1-PIPERDINYLPROPANE'
p9199
S'CC(C1(C=CC=CC=1))(C)N2(CCCCC2)'
p9200
sS'CPD-9082'
p9201
S'C1(=NC=CC(=C1)CC2(=CC=CC=C2))'
p9202
sS'CPD-9081'
p9203
S'CCCC(=O)C(C)=O'
p9204
sS'CPD-9080'
p9205
S'CCCCC(=O)C(=O)C'
p9206
sS'CPD-9087'
p9207
S'CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C'
p9208
sS'UROPORPHYRIN_III'
p9209
S'C(C1(C3(N=C(C=1CC(=O)[O-])C=C5(C(CCC(=O)[O-])=C(CC([O-])=O)C(C=C2(C(CCC(=O)[O-])=C(C(=N2)C=C4(N=C(C=3)C(CCC(=O)[O-])=C(CC([O-])=O)4))CC([O-])=O))=N5))))CC([O-])=O'
p9210
sS'CPD-9084'
p9211
S'CC(C)CC(C(NC(C(=O)[O-])CC2(=CNC1(C=CC=CC=12)))=O)NP(=O)([O-])OC3(C(C(C(C(C)O3)O)O)O)'
p9212
sS'CPD-9089'
p9213
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p9214
sS'CPD-9088'
p9215
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p9216
sS'CPD-10659'
p9217
S'C(O)C1(C=CC=C(Cl)C=1)'
p9218
sS'CPD-8144'
p9219
S'C4(=CC=C(C1(OC2(C(C(=O)C=1)=CC=C(C=2)OC3(OC(CO)C(O)C(O)C(O)3))))C=C4)'
p9220
sS'CPD-13606'
p9221
S'CCCC=[S+][O-]'
p9222
sS'CPD-13605'
p9223
S'CCC=CSO'
p9224
sS'CPD-13604'
p9225
S'CCC=CS(=O)CC([N+])C(=O)[O-]'
p9226
sS'CPD-13601'
p9227
S'C(O)C1(OC(C(O)C(O)C(O)1)ON2(C=C(CNC([S-])=S)C3(=C2C=CC=C3)))'
p9228
sS'CPD-15192'
p9229
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)C(=O)[O-])'
p9230
sS'CPD-14355'
p9231
S'CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(=O)C(O)C(=O)C)CC=6C=7))C(O)=8))'
p9232
sS'BLASTICIDIN-S'
p9233
S'C(CC([N+])CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2)))N(C)C(=[N+])N'
p9234
sS'ACETONE'
p9235
S'CC(=O)C'
p9236
sS'CPD-17658'
p9237
S'COC1(=CC=C(C=C(O)1)C(C(=O)[O-])O)'
p9238
sS'CPD-17659'
p9239
S'CCC(C)C([N+])C([O-])=O'
p9240
sS'CPD-1947'
p9241
S'CC7(COC5(C(C)C6(C2(C(C3(CCC4(CC(OC1(C(C(C(O)C(O1)CO)O)O))CCC(C(CC2)3)(C)4)))CC(O5)6)(C)))CC7)'
p9242
sS'CPD-17650'
p9243
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)'
p9244
sS'CPD-14350'
p9245
S'CC6(C(O)=CC5(C(=C(O)C4(C(=O)C(OC3(CC(OC2(CC(OC1(CC(O)(C)C(O)C(C)O1))C(O)C(C)O2))C(O)C(C)O3))[CH](C(OC)C(=O)C(O)C(O)C)CC=4C=5))C(O)=6))'
p9246
sS'CPD-17652'
p9247
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)O)C)'
p9248
sS'CPD-17653'
p9249
S'C(CCCCCCC(O)CCCCCCCC([O-])=O)O'
p9250
sS'CPD-17655'
p9251
S'C(=O)([O-])C(C1(C=C(O)C=CC=1))O'
p9252
sS'CPD-17656'
p9253
S'COC1(=CC=CC=C1C(C(=O)[O-])O)'
p9254
sS'CPD-18672'
p9255
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)C(C)C([O-])=O'
p9256
sS'CPD-8130'
p9257
S'C1(C=C(C(=CC(O)=1)O)O)'
p9258
sS'CPD-8131'
p9259
S'C1(C=C2(C(=CC=1)C=C(O)C=C2))'
p9260
sS'CPD-8132'
p9261
S'C1(C=CC(=CC=1)[S-])'
p9262
sS'CPD-8133'
p9263
S'C[N+]([O-])=O'
p9264
sS'CPD-8134'
p9265
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p9266
sS'CPD-17383'
p9267
S'CCC=CCC=CCC=CCC=CCC=CCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p9268
sS'CPD-17380'
p9269
S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(CC4(=CNC=N4))NC(=O)5))'
p9270
sS'CPD-17381'
p9271
S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p9272
sS'CPD-8686'
p9273
S'[CH](=O)CCCCCCCC(=O)[O-]'
p9274
sS'CPD-8139'
p9275
S'C1(CCC([N+]([O-])=O)CC1)'
p9276
sS'CPD-13542'
p9277
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3C=C4C([O-])=O)))C)C'
p9278
sS'CPD-8685'
p9279
S'CCC=CCC=CC[CH]=O'
p9280
sS'CPD-8682'
p9281
S'CCC=CCC=CC=C1(C(CCCCCCCC([O-])=O)O1)'
p9282
sS'CPD-8683'
p9283
S'CCCCCC=CCC(C(CCCCCCCC([O-])=O)O)=O'
p9284
sS'CPD-13546'
p9285
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCSC)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9286
sS'CPD-13547'
p9287
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CSC)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9288
sS'CPD-18526'
p9289
S'CC2(=CC1(=C(N=CN1)C=C2O))'
p9290
sS'CAFFEOYL-COA'
p9291
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p9292
sS'CPD-6955'
p9293
S'C1(C=C(O)C=CC=1C=CC(=O)CC2(OC(=O)C=C([O-])C=2))'
p9294
sS'R-6-HYDROXYNICOTINE'
p9295
S'C1(CC[CH]([N+](C)1)C2(C=NC(O)=CC=2))'
p9296
sS'CPD-6956'
p9297
S'C1(C=C(C=CC=1C=CC2(OC(=O)C=C([O-])C=2))O)'
p9298
sS'CPD-11764'
p9299
S'C1(CC=NCC1)'
p9300
sS'CPD-6485'
p9301
S'CC(C(CO)O)=O'
p9302
sS'CPD-16389'
p9303
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p9304
sS'CPD-16388'
p9305
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)O)C(O)CCCCCCCCCCCCCCC)=O'
p9306
sS'CPD-11760'
p9307
S'COC1(C=C(O)C=CC=1C=CC(=O)C2(=CC=C(O)C=C2))'
p9308
sS'CPD-6226'
p9309
S'C=C2(C1(CCC3(C4(CC(C(C(C(C(C(C1)(C2)3)C([O-])=O)4)(C)C([O-])=O)O)O)C([O-])=O))O)'
p9310
sS'CPD-16384'
p9311
S'C(OP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C2(C(O)C(O)C(O)C(O2)OC3(C(O)C(O)C(O)C(O)C(OP(=O)([O-])[O-])3))'
p9312
sS'CPD-16387'
p9313
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p9314
sS'CPD-6225'
p9315
S'C=C2(C1(CCC3(C4(CCC(C(C(C(C(C1)(C2)3)C([O-])=O)4)(C)C([O-])=O)O)C([O-])=O))O)'
p9316
sS'CPD-6222'
p9317
S'C=C2(C1(CCC3(C4(CC(C(C(C(C(C(C1)(C2)3)C([O-])=O)4)(C)C([O-])=O)O)O)C([O-])=O)))'
p9318
sS'CPD-6223'
p9319
S'C=C2(C1(CCC3(C4(CC(CC(C(C(C(C1)(C2)3)C([O-])=O)4)(C)C([O-])=O)O)C([O-])=O)))'
p9320
sS'CPD-16383'
p9321
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p9322
sS'CPD-6221'
p9323
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C(=O)[O-])([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p9324
sS'CPD-12495'
p9325
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p9326
sS'2-HYDROXYMETHYL-4-OXOBUTANOATE'
p9327
S'C(C=O)C(CO)C(=O)[O-]'
p9328
sS'12-D-GLUCOSYL-5-D-GALACTOSYLOXY-L-LYS'
p9329
S'C(O)C2(OC(OC1(C(O)C(O)C(CO)OC(OC(C[N+])CCC(N[a'
p9330
sS'CPD-2542'
p9331
S'C(=O)([O-])C1(C=C(C([O-])=O)OC(O)C=1)'
p9332
sS'CPD-8354'
p9333
S'CCCCCCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)O)=O'
p9334
sS'CPD-8355'
p9335
S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p9336
sS'CPD-8356'
p9337
S'CCCCCC=CCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)O)=O'
p9338
sS'CPD-8357'
p9339
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)O)=O'
p9340
sS'CPD-8353'
p9341
S'CCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)O)=O'
p9342
sS'2-KETO-4-HYDROXY-5-AMINO-VALERATE'
p9343
S'C(C(O)C[N+])C(C([O-])=O)=O'
p9344
sS'CPD-15196'
p9345
S'COC1(C=C(C=C(OC)C=1O)C2(C(=CC3(C([O-])=CC(O)=CC([O+]=2)=3))OC4(C(O)C(O)C(O)C(CO)O4)))'
p9346
sS'3-2-METHYLTHIOETHYLMALIC-ACID'
p9347
S'CSCCC(C(=O)[O-])C(O)C([O-])=O'
p9348
sS'ALIZARIN'
p9349
S'C3(C=CC2(=C(C(=O)C1(C=CC(O)=C(O)C=1C2=O))C=3))'
p9350
sS'CPD-6959'
p9351
S'COC1(C=C(C=C(C=1)C=CC2(C=CC(=CC=2)O))OC)'
p9352
sS'CPD0-1588'
p9353
S'CC2(C(OCCCOC1(C=C(C(F)(F)F)C=CC=1))=C(N)N=C(N)N=2)'
p9354
sS'CPD-8847'
p9355
S'C=CC(C)=O'
p9356
sS'CPD0-1581'
p9357
S'COC2(C=C(CC1(C=NC(N)=NC(N)=1))C=C(C(OC)=2)OC)'
p9358
sS'CPD0-1583'
p9359
S'CCC2(=[N+]C(N)=NC(N)=C(C1(C=CC(Cl)=CC=1))2)'
p9360
sS'CPD0-1585'
p9361
S'CCC2(=C(OCCCOC1(C(C(F)(F)F)=CC=CC=1))C(N)=NC(N)=N2)'
p9362
sS'CPD0-1584'
p9363
S'CCC3(=C(OCCCOC2(C(C1(CCC(C(C)=O)CC1))=CC=CC=2))C(N)=NC(N)=N3)'
p9364
sS'CPD0-1587'
p9365
S'CC2(C(OCCCOC1(C(C(F)(F)F)=CC=CC=1))=C(N)N=C(N)N=2)'
p9366
sS'CPD0-1586'
p9367
S'CC2(=C(OCCCOC1(C=C([N+](=O)[O-])C=CC=1))C([N+])=NC([N+])=N2)'
p9368
sS'CPD-8843'
p9369
S'C=CC(CCC=C(CCC=C(C)C)C)(O)C'
p9370
sS'CPD-10389'
p9371
S'CC(C)C3(C5(=NC(C(NC(C)C4(=NC(C(NC(CC1(C=CC=CC=1))C2(=NC(CS2)C(N3)=O))=O)CS4))=O)C(C)O5))'
p9372
sS'PIPERIDINE'
p9373
S'C1(CCCC[N+]1)'
p9374
sS'5-METHYLAMINOMETHYL-2-THIOURIDINE'
p9375
S'C[N+]CC2(=CN(C1(OC(C(O)C(O)1)CO))C(NC(=O)2)=S)'
p9376
sS'CPD-10383'
p9377
S'CCC(C)C1(C(=O)OC(C)C(C(NC(C(NC3(C(N(C(C(N(C)C(C(N1)=O)CC2(C=CC=CC=2))=O)C(C)O)C(CC3)O)=O))=O)CC4(C=CC(CC4)O))=O)NC(C(CCC(N)=O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)'
p9378
sS'CPD-10382'
p9379
S'CCC(C)C2(C(=O)OC(C)C(C(NC(CC1(C=CC(=CC=1)O))C(NC4(C(N(C(C(N(C)C(C(N2)=O)CC3(C=CC=CC=3))=O)C(C)O)C(CC4)O)=O))=O)=O)NC(C(CCC(N)=O)NC(C(C(C)O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)=O)'
p9380
sS'CPD-10381'
p9381
S'CCC(C)C1(C(=O)OC(C)C(C(NC(C(NC3(C(N(C(C(N(C)C(C(N1)=O)CC2(C=CC=CC=2))=O)C(C)O)C(CC3)O)=O))=O)CC4(C=CC(CC4)O))=O)NC(C(CCC(N)=O)NC(C(C(C)O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)=O)'
p9382
sS'CPD-10380'
p9383
S'CCCCCCCC(C(C(N(C)C(C(NC(C(NC(C(=O)O)CC1(C=CC(=CC=1)O))=O)CC2(C=CC(=CC=2)O))=O)CCS(C)=O)=O)O)N'
p9384
sS'CPD-10387'
p9385
S'CCC(C)C3(C(=O)OC(C)C(C(NC(CC1(C=CC(=CC=1)O))C(NC2(C(N(C(CC2)O)C(C(N(C)C(C(N3)=O)CC4(C=CC(=CC=4)O))=O)CC(C)C)=O))=O)=O)NC(C(CCC(N)=O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)'
p9386
sS'CPD-10386'
p9387
S'CCC(C)C2(C(=O)OC(C)C(C(NC(CC(C)C)C(NC1(C(N(C(CC1)O)C(C(N(C)C(C(N2)=O)CC3(C=CC(=CC=3)O))=O)CC(C)C)=O))=O)=O)NC(C(CCC(N)=O)NC(C(CC4(C=CC(=CC=4)O))O)=O)=O)'
p9388
sS'CPD-10385'
p9389
S'CCC(C)C2(C(=O)OC(C)C(C(NC(C(NC1(C(N(C(CC1)O)C(C(N(C)C(C(N2)=O)CC3(C=CC(=CC=3)O))=O)CC(C)C)=O))=O)CC4(C=CC(CC4)O))=O)NC(C(CCC(N)=O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)'
p9390
sS'CPD-10384'
p9391
S'CCC(C)C2(C(=O)OC(C)C(C(NC(CC1(C=CC(=CC=1)O))C(NC4(C(N(C(C(N(C)C(C(N2)=O)CC3(C=CC=CC=3))=O)C(C)O)C(CC4)O)=O))=O)=O)NC(C(CCC(N)=O)NC(C(CC5(C=CC(=CC=5)O))O)=O)=O)'
p9392
sS'CPD-16929'
p9393
S'CC1(CCC=C(C)CCC(C(O)(C)C)CC=C(CCC=1)C)'
p9394
sS'CPD-8347'
p9395
S'CCCCCC=CCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p9396
sS'VESTITONE'
p9397
S'C3(OC1(=C(C=CC(O)=C1)C(=O)C(C2(=C(C=C(OC)C=C2)O))3))'
p9398
sS'CPD-16925'
p9399
S'C([N+])CC[N+](CCC[N+])CCCC[N+]'
p9400
sS'CPD-16924'
p9401
S'CCC(C)C(=O)OC2(CC(C)C=C1(C=CC(C)C(CCC(CC(O)CC([O-])=O)O)[CH]12))'
p9402
sS'CPD-8344'
p9403
S'CCCCCCC=CCCCCCCCC(OCC(O)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p9404
sS'D-6-P-GLUCONO-DELTA-LACTONE'
p9405
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)C(=O)O1)'
p9406
sS'CPD0-1699'
p9407
S'C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))'
p9408
sS'CPD-12231'
p9409
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C'
p9410
sS'CPD-12230'
p9411
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(CNC(=O)C(C)NC(=O)C(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(CNC(=O)C(C)NC(=O)C(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)=O)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)=O)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C'
p9412
sS'CPD-12232'
p9413
S'C(CNC(C=CC2(C=C1(C(C(OC1=CC=2)C3(C=CC(O)=CC=3))C(NCCCC[N+]=C(N)N)=O)))=O)CC[N+]=C(N)N'
p9414
sS'CPD-12237'
p9415
S'C1(C=C(C=CC=1C=CC(NCCC(O)C[N+]=C(N)N)=O)O)'
p9416
sS'CPD-12236'
p9417
S'COC1(=C(C=CC(=C1)C=CC(NCCCC[N+]=C(N)N)=O)O)'
p9418
sS'CPD-15713'
p9419
S'C(C2(OC(OCC1(O)(OCC(O)C(O)C(O)1))C(C(O)C2O)O))O'
p9420
sS'CPD-15712'
p9421
S'C(OP([O-])([O-])=O)C1(OC(C(C(C1O)O)O)O)'
p9422
sS'CPD-15710'
p9423
S'C1([N+]C(C(=O)[O-])CC1OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)2))3))4))5))'
p9424
sS'CPD-15717'
p9425
S'C(C1(OC(C(C(C1O)O)O)OC2(C(OC(C(C2O)O)O)CO)))O'
p9426
sS'CPD-15716'
p9427
S'C(C2(OC(OC1(OC(C(O)C(C1O)O)COP([O-])(=O)[O-]))(C(O)C(O)2)CO))O'
p9428
sS'CPD-15715'
p9429
S'C(C2(OC(OC1(C(O)C(O)C(CO)(O)OC1))C(C(C2O)O)O))O'
p9430
sS'CPD-15866'
p9431
S'CCCC(C)C(=O)[O-]'
p9432
sS'CPD-15868'
p9433
S'[CH](=O)C(O)C(O)C(O)CO'
p9434
sS'CPD-13284'
p9435
S'CC(C)=CCCC(C(=O)[O-])=C1(C(CC3(C)([CH]1CC[CH]2(C4(C=CC(C(C)[CH](C(C(C(C)23)=O)OC(C)=O)4)=O)(C))))OC(C)=O)'
p9436
sS'PYRAZOLE'
p9437
S'C1(=NNC=C1)'
p9438
sS'CPD-9492'
p9439
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)=O)C)C)C)(C)CO)OC6(C(C(C(C(O6)CO)O)O)O))C))))C'
p9440
sS'CPD-10566'
p9441
S'CC(C)C(C)CCC(C)[CH]2(CC=C1(C3(CC[CH]4(CC(CCC(C)(C(CCC(C)12)=3)4)O))))'
p9442
sS'CPD-10560'
p9443
S'C(O)S(=O)(=O)O'
p9444
sS'NOCARDICIN-A'
p9445
S'C(OC1(C=CC(=CC=1)C(=NO)C(NC3(C(=O)N(C(C2(C=CC(O)=CC=2))C(=O)[O-])C3))=O))CC([N+])C([O-])=O'
p9446
sS'CPD-4681'
p9447
S'CC(C(NC(C(NC(=O)C1(C=CC(=C2(OC3(C(=NC=12)C(=C(C(C=3C)=O)N)C(NC(C(O)C)C(NC(C(C)C)C(N4(C(CCC4)C(O)N(C)CC([N+](C(C(O)O)C(C)C)C)O))O)=O)=O)))C))C(O)C)=O)C([N+]5(C(CCC5)C(O)N(C)CC([N+](C(C(O)O)C(C)C)C)O))O)C'
p9448
sS'NOCARDICIN-E'
p9449
S'C3(C(NC(C(C1(C=CC(O)=CC=1))=NO)=O)C(=O)N(C(C2(C=CC(O)=CC=2))C([O-])=O)3)'
p9450
sS'CPD-18926'
p9451
S'CC34(CCC(=O)C=C(CC[CH]1([CH](C(=O)CC2(C)(C(CC[CH]12)=O))3))4)'
p9452
sS'CPD-18925'
p9453
S'C=C(C)C1(CC2(C)(C(C)CC(=O)C=C(CC1)2))'
p9454
sS'CPD-18924'
p9455
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CC(O)C(C)12))[CH](CCC(=O)3)4))'
p9456
sS'CPD-18923'
p9457
S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(C)([CH]2CC3)C(O)CC(=O)C=4)))'
p9458
sS'CPD-18920'
p9459
S'CC3(OC(OC2(C(C(C(OC(OC1(C(C(OC(O)C1NC(=O)C)CO)O))2)CO)O)O))C(CC3O)O)'
p9460
sS'CPD-18929'
p9461
S'C=CC3(C(C)=C(C=C1(C(C)=C(CCC([O-])=O)C(=O)N1))NC(C=C2(C(C)=C(C=C)C(=O)N2))=3)'
p9462
sS'CPD-18928'
p9463
S'CC1(C(=O)NC(=O)C(CCC([O-])=O)=1)'
p9464
sS'CPD-3571'
p9465
S'C(C(=O)[O-])C(C(=O)[O-])CC(=O)[O-]'
p9466
sS'CPD-7013'
p9467
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C5(=N([Mg]36(N1(=C(C(CC)=C([CH]=O)C1=CC=2N34)C=C7(C(C)=C8(C(=O)C(C(OC)=O)C5=C(N67)8)))))9))))'
p9468
sS'CPD-7010'
p9469
S'C(O)C3(OC(OC2(C(O)C(O)C(OC1(=CC=C(C=C1)CC(C([a'
p9470
sS'CPD-7016'
p9471
S'C=CC2(C(C)=C5(C=C1(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=N1)C7([C-](C(OC)=O)C(=O)C6(=C(C)C4(N([Mg]N(C=2C=C3(C(CO)=C(CC)C(=N3)C=4))5)C6=7))))))'
p9472
sS'CPD-7014'
p9473
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C=O)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p9474
sS'URIDINE'
p9475
S'C(O)C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p9476
sS'3-AMINOPROPYL-METHYL-PHOSPHINATE'
p9477
S'CP([O-])(=O)CCC[N+]'
p9478
sS'CPD-7018'
p9479
S'C(C1(OC(C(C(C1O)O)O)OC3(C=C(CC(OC(C=CC2(=CC(=C(C=C2)O)O))=O)C(=O)[O-])C=CC=3O)))O'
p9480
sS'BENZYL-DESULFOGLUCOSINOLATE'
p9481
S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NO)O2)'
p9482
sS'L-ALA-GAMMA-D-GLU-DAP'
p9483
S'CC([N+])C(=O)NC(CCC(=O)NC(C([O-])=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p9484
sS'CPD0-2053'
p9485
S'CCOC(=O)C(=O)C'
p9486
sS'CPD0-2050'
p9487
S'CC(O)C(O)C1(N=C2(C(NC1)=NC(N)=CC(=O)2))'
p9488
sS'CPD0-2051'
p9489
S'C(O)C(O)C(O)C2(N=C1(C(=O)N=C(N)N=C1NC2))'
p9490
sS'CPD0-2056'
p9491
S'CC(C(NCC(=O)[O-])=O)NC(CCC(C(=O)[O-])[N+])=O'
p9492
sS'CPD0-2054'
p9493
S'CCSCC(=O)CC(O)=O'
p9494
sS'CPD0-2055'
p9495
S'C2(=O)(NC(=O)NC(C1(C=CC(O)=CC=1))2)'
p9496
sS'CPD0-2058'
p9497
S'C1(=C(C(=C(N1)CO)CC(=O)[O-])CCC(=O)[O-])'
p9498
sS'CPD0-2059'
p9499
S'C(=O)(O)C1(C=CC(O)=C(O)C(O)=1)'
p9500
sS'CPD-9104'
p9501
S'CCC6(C2(=CC8(=C(C)C1(=C7(C(C(C(=O)OC)C(=O)1)=C9(C(CCC(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=O)C(C)C4(=N([Zn]3(N2=C(C=C5(N3C(=C4)C=C(C(C)=O)5))C(C)6)(N78))9)))))))'
p9502
sS'MALONYL-COA'
p9503
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9504
sS'CPD-14922'
p9505
S'CCCCCCCCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O'
p9506
sS'26-DIFLUORO-4-HYDROXYPHENYLPYRUVATE'
p9507
S'C(C(CC1(C(=CC(=CC(F)=1)O)F))=O)([O-])=O'
p9508
sS'UROCORTISOL'
p9509
S'CC14(CCC(CC1CCC3(C2(CCC(C(=O)CO)(C(C)2CC(O)C34)O)))O)'
p9510
sS'CPD-14400'
p9511
S'CC3(C(C1(=CC=C(O)C=C1))OC(C2(=CC=C(O)C=C2))C(C)3)'
p9512
sS'CPD-14401'
p9513
S'CC3(C(C1(C=CC(O)=CC=1))OC(C2(C=C(O)C(O)=CC=2))C(C)3)'
p9514
sS'CPD-14402'
p9515
S'CC3(C(C)C(C1(=CC=C(O)C(O)=C1))OC(C2(=CC=C(O)C=C2))3)'
p9516
sS'CPD-14404'
p9517
S'CCCCCC=CCC=CCC=CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9518
sS'CPD-14405'
p9519
S'CCCCCC=CCC=CCC=CCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9520
sS'CPD-14406'
p9521
S'CCCCCC=CCC=CCC=CCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9522
sS'CPD-14407'
p9523
S'CCCCCC=CCC=CCC=CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9524
sS'CPD-11169'
p9525
S'C(C=CC(=O)C([O-])=O)Cl'
p9526
sS'MEVALONATE-DP'
p9527
S'CC(OP(=O)([O-])[O-])(CC(=O)[O-])CCOP(=O)([O-])[O-]'
p9528
sS'CPD0-2276'
p9529
S'CCOC(=O)CN'
p9530
sS'CPD0-2277'
p9531
S'CC2(C(=O)NC(C(NC(CCCC(C(=O)O)NC(=O)C(NC(C(NC(=O)C(NC(C(OC5(C(OC1(C(NC(=O)C)C(O)C(O)C(CO)O1))C(CO)OC(OC4(C(CO)OC(OC3(C(CO)OC=C(NC(=O)C)C(OC(C(N2)=O)C)3))C(NC(C)=O)C(O)4))C(NC(C)=O)5))C)=O)C)CCC(=O)O)=O)CCCC(C(=O)O)N)C(=O)O)=O)CCC(O)=O)'
p9532
sS'CPD0-2274'
p9533
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C([O-])=O)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(O[R1])C(NC(=O)C)4)'
p9534
sS'CPD0-2272'
p9535
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C([O-])=O)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C([O-])=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)O[R1])'
p9536
sS'CPD0-2273'
p9537
S'CC2(C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC5(C(NC(=O)C)C(OC1(C(CO)OC(C(NC(=O)C)C(O)1)OC3(C(CO)OC=C(NC(=O)C)C(OC(C)C(=O)N2)3)))OC(CO)C(OC4(OC(C(O)C(O)C(NC(=O)C)4)CO))5))C(=O)[O-])C(O)=O)'
p9538
sS'CPD0-2270'
p9539
S'CC2(C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC5(C(NC(=O)C)C(OC1(C(CO)OC(C(NC(=O)C)C(O)1)OC3(C(CO)OC=C(NC(=O)C)C(OC(C)C(=O)N2)3)))OC(CO)C(OC4(OC(C(O)C(O)C(NC(=O)C)4)CO))5))C(=O)[O-])C(=O)NC(C)C([O-])=O)'
p9540
sS'CPD0-2271'
p9541
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%14(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%13(C(=O)[O-])(OC(C(OC9(C(O)C(OC8(C(O)C(OC3(C(O)C(C(O)C(COC2(OC(CO)C(O)C(O)C(O)2))O3)OC6(OC(CO)C(O)C(O)C(OC5(C(O)C(O)C(O)C(COC4(C(O)C(O)C(O)C(C(O)CO)O4))O5))6)))C(OP([O-])(=O)[O-])C(C(O)COC7(C(O)C(O)C(O)C(C(O)CO)O7))O8))C(OP([O-])(=O)[O-])C(C(O)CO)O9))C(OC%11(C(=O)[O-])(CC(C(OC%10(OC(C(O)C(O)C(O)%10)C))C(C(O)CO)O%11)OC%12(C(=O)[O-])(CC(C(O)C(C(O)CO)O%12)O)))C%13)C(O)CO))C%14OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p9542
sS'CPD0-2278'
p9543
S'CC(C(=O)NC(C(O)=O)C)NC(=O)C2(CCCC(C(=O)O)NC(C(C)NC(C(CCCC(N)C(=O)O)NC(C(NC(=O)C(NC(C(OC5(C(OC1(C(NC(=O)C)C(O)C(O)C(CO)O1))C(CO)OC(OC4(C(CO)OC(OC3(C(CO)OC=C(NC(=O)C)C(OC(C(NC(C(=O)NC(C(N2)=O)CCC(O)=O)C)=O)C)3))C(NC(C)=O)C(O)4))C(NC(C)=O)5))C)=O)C)CCC(O)=O)=O)=O)=O)'
p9544
sS'CPD0-2279'
p9545
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC4(OC(C(O)C(OC3(C(OC(C)=O)C(OC2(OC(COC1(C(O)C(O)C(C(CO)O)O1))C(O)C(O)C(O)2))C(O)C(C)O3))C(NC(=O)C)4)COC5(C(O)C(O)C(O)C(CO)O5)))C)C)C)C)C)C)C'
p9546
sS'TETRADECANOYL-COA'
p9547
S'CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9548
sS'CPD-13830'
p9549
S'CCC1(C(C)C=CC(C(C)CC(C)C(C(C(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p9550
sS'CPD-13831'
p9551
S'CCC1(C(C)C=CC(C(C)CC(C)C(C(C(=O)O1)C)O)=O)'
p9552
sS'CPD-13832'
p9553
S'CCC1(C(O)(C)C=CC(C(C)CC(C)C(C(C(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p9554
sS'CPD-13833'
p9555
S'CC1(C=CC(C(C)CC(C)C(C(C(=O)O[CH](C(C)O)1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p9556
sS'CPD-13834'
p9557
S'CCC1(C(C)C=CC(C(C)CC(C)C(C(C)C(C(C(=O)O1)C)=O)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p9558
sS'CPD-13835'
p9559
S'CCC1(C(O)(C)C=CC(C(C)CC(C)C(C(C)C(C(C(=O)O1)C)=O)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p9560
sS'CPD-13837'
p9561
S'CCC1(C(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(O)C2)C))C)O)'
p9562
sS'CPD-7918'
p9563
S'CCCCCC=CCCCCCCCCCCCCCCCCCCCC'
p9564
sS'CPD-14927'
p9565
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CC(=O)[O-]'
p9566
sS'UDP'
p9567
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p9568
sS'TAGATOSE-1-6-DIPHOSPHATE'
p9569
S'C(OP([O-])(=O)[O-])C1(OC(O)(COP([O-])([O-])=O)C(O)C1O)'
p9570
sS'CPD-8902'
p9571
S'C(C(C(C(CO)O)O)O)([O-])=O'
p9572
sS'CPD-8905'
p9573
S'COC1(=C(O)C=CC(=C1)C3(OC[CH]4(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p9574
sS'CPD-8906'
p9575
S'COC1(=CC(=CC=C(O)1)C4(OC[CH]3(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p9576
sS'CPD-8909'
p9577
S'COC1(C=C(C=CC=1O)CC(C(CC2(=CC=C(C(=C2)OC)O))CO)CO)'
p9578
sS'CPD-8908'
p9579
S'COC1(=CC(=CC=C(O)1)CC3(C(CO)C(C2(C=CC(O)=C(OC)C=2))OC3))'
p9580
sS'CPD-2421'
p9581
S'C(N=N(=O)C)O'
p9582
sS'ADENOSYLCOBALAMIN-5-P'
p9583
S'CC%15(C=C%13(C(N%12(C%14(OC(COP([O-])(=O)[O-])C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)C2(C4(C)(C(C)(CC(N)=O)C(CCC(=O)N)C3(C(C)=C8(C(CC(=O)N)(C(CCC(N)=O)C7(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+]=34)([N+]=56)([N+]=78)(CC9(C(C(O)C(O9)N%10(C=NC%11(C%10=NC=NC=%11N)))O))[N+](=C%12)%13))))C)))))(C))C(O)%14)))=CC(C)=%15))'
p9584
sS'AGMATHINE'
p9585
S'C(CCC[N+])NC(=[N+])N'
p9586
sS'CPD-11573'
p9587
S'C(O)C1(OC(CO)=CC=1)'
p9588
sS'CPD-12983'
p9589
S'CC1(C(=O)[O-])(OC2(C(O)C(O)C(O)OC(CO1)2))'
p9590
sS'CPD-11571'
p9591
S'C(CNO)CC([N+])C([O-])=O'
p9592
sS'CPD-11570'
p9593
S'CC34(C(C(O)CC2(C(CCC1(C)(C(O)CCC12))3))=CC(=O)CC4)'
p9594
sS'HYDANTOIN-5-PROPIONATE'
p9595
S'C(C1(C(=O)NC(=O)N1))CC(=O)[O-]'
p9596
sS'ALPHA-D-FRUCTOFURANOSE-BETA-D-FRUCTO'
p9597
S'C(C1(OC2(C(C1O)O)(OCC3(OC2)(C(C(C(O3)CO)O)O))))O'
p9598
sS'CPD-11578'
p9599
S'C1(=CC=C2(C(=C1)C(C=CC(=O)O)=CN2))'
p9600
sS'CAPREOMYCIN'
p9601
S'C(C2(NC(C(CNC(C(C1(CCNC(N1)=N))NC(=O)C(=CNC(N)=O)NC(C(NC2=O)CNC(CC(N)CCCN)=O)=O)=O)N)=O))[R]'
p9602
sS'3-AMINO-12-PROPANEDIOL'
p9603
S'C(O)C(O)C[N+]'
p9604
sS'L-LEUCYL-L-LEUCINE'
p9605
S'CC(C)CC([N+])C(NC(CC(C)C)C([O-])=O)=O'
p9606
sS'CPD0-1610'
p9607
S'[C-](#N)[Na+]'
p9608
sS'CPD0-1613'
p9609
S'C(=O)(NO)C(O)C(O)C(O)C(=O)[O-]'
p9610
sS'CPD0-1612'
p9611
S'C(=O)(C(O)C(O)CC(O)C(=O)[O-])[O-]'
p9612
sS'CPD0-1615'
p9613
S'C([O-])(=O)C([N+])CP([O-])(O)=O'
p9614
sS'CPD0-1614'
p9615
S'CC(C(=O)[O-])([N+])CC(=O)[O-]'
p9616
sS'CPD0-1617'
p9617
S'C(NC(C([O-])=O)CC(=O)[O-])(=O)CP(O)(=O)[O-]'
p9618
sS'CPD0-1616'
p9619
S'[CH]1(C(=O)O)([CH](C(=O)O)N1)'
p9620
sS'CPD-533'
p9621
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CCCCC1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p9622
sS'CPD-531'
p9623
S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)C(O)CO'
p9624
sS'CPD-530'
p9625
S'O=S([O-])([O-])=O'
p9626
sS'CPD-537'
p9627
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCCC(O)1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p9628
sS'CPD-536'
p9629
S'C(C(CO)OP([O-])([O-])=O)O'
p9630
sS'CPD-535'
p9631
S'C(C1(OC(C(C1O)O)(CO)OP([O-])([O-])=O))OP(=O)([O-])[O-]'
p9632
sS'CPD-534'
p9633
S'C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])1)'
p9634
sS'CPD-14867'
p9635
S'C3(=CC(O)=CC=C(C1(=C([O-])C(=O)C2(C(O)=CC(O)=C(O)C(O1)=2)))3)'
p9636
sS'TROPATE'
p9637
S'C(O)C(C1(C=CC=CC=1))C([O-])=O'
p9638
sS'CPD-12318'
p9639
S'C1(N=CC=CC(O)=1)'
p9640
sS'LEUPEPTIN'
p9641
S'CC(CC(NC(C)=O)C(NC(=O)C(CC(C)C)NC(CCCNC(N)=[N+])C=O)=O)C'
p9642
sS'CPD0-1807'
p9643
S'CCCCCCCC(=O)OCC(C(N)=O)OC(CCCCCCC)=O'
p9644
sS'CIS-3-HEXENAL'
p9645
S'CCC=CC[CH]=O'
p9646
sS'CPD0-1808'
p9647
S'CCCCCCCC(=O)NCC(CO)OC(=O)CCCCCCC'
p9648
sS'CPD0-1809'
p9649
S'CCCCCCCCSCC(CO)SCCCCCCCC'
p9650
sS'7-O-ACETYLSALUTARIDINOL'
p9651
S'CC(OC3(C(OC)=CC12(C4(=C(CC([N+](CC1)C)C2=C3)C=CC(=C4O)OC))))=O'
p9652
sS'HYDRAZINE'
p9653
S'NN'
p9654
sS'CPD-289'
p9655
S'C1(=CC(C(C=C1)O)O)'
p9656
sS'T2-C4-DECADIENYL-COA'
p9657
S'CCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9658
sS'CPD-285'
p9659
S'C(CCCC(C(O)C(=O)[O-])C(=O)[O-])([O-])=O'
p9660
sS'CPD-287'
p9661
S'CC34([CH]2([CH]([CH]1(C(C)(C(C(=O)CO)(O)CC1)CC(=O)2))CC[CH]3CC(=O)CC4))'
p9662
sS'CPD-281'
p9663
S'CC(C(SC(CCCCC(N)=O)CCS)=O)C'
p9664
sS'CPD-280'
p9665
S'[CH](CCCC(=O)[O-])=O'
p9666
sS'CPD-283'
p9667
S'C1(=O)(NC=C(C(=O)[O-])CC1)'
p9668
sS'CPD-282'
p9669
S'C1(CCC(C=C1)=O)'
p9670
sS'CPD-9748'
p9671
S'CC(=CCC2(C1(C(C3(=C(C(C1CC=C2C)=O)C(=C(C(=C3C(C)C)OC)[O-])C=O))=O)(C)))C'
p9672
sS'CPD-16713'
p9673
S'CCCC(C(=O)[O-])O'
p9674
sS'2-3-DIHYDRODIPICOLINATE'
p9675
S'C1(CC(N=C(C=1)C(=O)[O-])C(=O)[O-])'
p9676
sS'CPD-16711'
p9677
S'CCCCCCCCCCCCCCCC=CC(=O)[O-]'
p9678
sS'CPD-16716'
p9679
S'C(CO)C(CO)O'
p9680
sS'CPD-16717'
p9681
S'CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O'
p9682
sS'CPD-16714'
p9683
S'C(C(=O)[O-])C(CO)O'
p9684
sS'CPD-16715'
p9685
S'C(CO)C(C(C(=O)[O-])O)O'
p9686
sS'CPD-9741'
p9687
S'CC(=CCC1(C2(C(C3(C(C(C(C)(CC=C1C)2)=O)=C(C(=C(C=3C=O)[O-])O)C(C)C))=O)))C'
p9688
sS'CPD-9742'
p9689
S'CC(=CCCC1(CC2(C(C3(=C(C(C(C)(CC=1)2)=O)C(=C(C(=C3C=O)[O-])O)C(C)C))=O)))C'
p9690
sS'CPD-9743'
p9691
S'CC(=CCCC2(CC1(C(C3(C(C(C1CC=2)=O)=C(C(=C(C=3C(C)C)O)[O-])C=O))=O)(C)))C'
p9692
sS'CPD-9744'
p9693
S'CC(=CCC2(C1(C(C3(C(C(C1CC=C2C)=O)=C(C(=C(C=3C(C)C)O)[O-])C=O))=O)(C)))C'
p9694
sS'CPD-9745'
p9695
S'CC(=CCC1(C2(C(C3(=C(C(C(C)(CC=C1C)2)=O)C(=C(C(=C3C=O)[O-])OC)C(C)C))=O)))C'
p9696
sS'CPD-9746'
p9697
S'CC(=CCCC1(CC2(C(C3(=C(C(C(C)(CC=1)2)=O)C(=C(C(=C3C=O)[O-])OC)C(C)C))=O)))C'
p9698
sS'CPD-9747'
p9699
S'CC(=CCCC2(CC1(C(C3(=C(C(C1CC=2)=O)C(=C(C(=C3C(C)C)OC)[O-])C=O))=O)(C)))C'
p9700
sS'CPD-14642'
p9701
S'CC(C)(O)CC(=O)[O-]'
p9702
sS'CPD1G-1353'
p9703
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)'
p9704
sS'CPD-12006'
p9705
S'C[Se][Se]C'
p9706
sS'CPD1G-1354'
p9707
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(CO)O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)'
p9708
sS'1-CARBOXYGLUTAMIC_ACID'
p9709
S'C(C([N+])C(=O)[O-])C(C(=O)[O-])C(=O)[O-]'
p9710
sS'CPD-12005'
p9711
S'C[Se]C'
p9712
sS'DE-O-K-GLUCONATE'
p9713
S'C(O)C(O)C(O)C(=O)CC(=O)[O-]'
p9714
sS'CARNITINE'
p9715
S'C(C(O)CC(=O)[O-])[N+](C)(C)C'
p9716
sS'CPD-2841'
p9717
S'N=N#N'
p9718
sS'2-DEHYDROPANTOYL-LACTONE'
p9719
S'CC1(C)(C(=O)C(=O)OC1)'
p9720
sS'N5-METHYLGLUTAMINE'
p9721
S'CNC(=O)CCC([N+])C(=O)[O-]'
p9722
sS'CPD-17011'
p9723
S'C1(NC(=CC=1)C2(NC(CO)=C(O)C=2))'
p9724
sS'3-KETOLACTOSE'
p9725
S'C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)'
p9726
sS'4-CARBOXYBENZYL-ALCOHOL'
p9727
S'C(C1(=CC=C(C=C1)C([O-])=O))O'
p9728
sS'CPDQT-400'
p9729
S'CC4(=C(CCOP([O-])(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)SC(C([O-])=O)=N4)'
p9730
sS'CPDQT-406'
p9731
S'CSCCCCC(SCC(N)C(O)=O)=NO'
p9732
sS'CPDQT-407'
p9733
S'CSCCCCCC(SCC(N)C(O)=O)=NO'
p9734
sS'CPDQT-404'
p9735
S'CSCCCCCC(C([O-])=O)[N+]'
p9736
sS'CPDQT-405'
p9737
S'CSCCCCCCC=NO'
p9738
sS'CPDQT-408'
p9739
S'CSCCCCCCC(SCC([N+])C([O-])=O)=NO'
p9740
sS'CPDQT-409'
p9741
S'CSCCCCCCCC(SCC(N)C(O)=O)=NO'
p9742
sS'CYANURIC-ACID'
p9743
S'C1(NC(NC(=O)N1)=O)=O'
p9744
sS'CPD-14940'
p9745
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(OC)=C(O)C(OC)=C3)))'
p9746
sS'CPD-16930'
p9747
S'C=C(C)C1(CCC(C)=CCCC(C)=CCCC(=CC1)C)'
p9748
sS'LIPOAMIDE'
p9749
S'C1(CC(CCCCC(N)=O)SS1)'
p9750
sS'2-METHOXYETHANOL'
p9751
S'C(COC)O'
p9752
sS'CPD-13909'
p9753
S'C(S[Se])C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p9754
sS'CPD-14589'
p9755
S'C(#N)C(=C(C=CC(O)=O)CC(O)=O)OC1(OC(C(O)C(O)C(O)1)CO)'
p9756
sS'S-TETRAHYDROCOLUMBAMINE'
p9757
S'C2(CC1(C=C(OC)C(O)=CC=1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4))))'
p9758
sS'OLEOYL-COA'
p9759
S'CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9760
sS'CPD-14943'
p9761
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(C=C(OC)C(O)=C(O)C=3)))'
p9762
sS'2-BROMOETHYLAMINE'
p9763
S'C(Br)C[N+]'
p9764
sS'25-DIDEHYDRO-D-GLUCONATE'
p9765
S'C(C(C(C(C(C([O-])=O)=O)O)O)=O)O'
p9766
sS'M-TOPOLIN'
p9767
S'C1(=NC(=C2(NCNC(=N1)2))NCC3(C=C(C=CC=3)O))'
p9768
sS'NIACINE'
p9769
S'C1(=CC=C(C([O-])=O)C=N1)'
p9770
sS'3-OXO-DELTA4-CHOLYL-COA'
p9771
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)CC4(=CC(=O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p9772
sS'CPD-3462'
p9773
S'CC(=O)NCCCC[N+]CCC[N+]'
p9774
sS'HEXACHLOROETHANE'
p9775
S'C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl'
p9776
sS'D-ALANINE'
p9777
S'CC([N+])C([O-])=O'
p9778
sS'CPD-10712'
p9779
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p9780
sS'CPD-10713'
p9781
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO'
p9782
sS'CPD-10715'
p9783
S'C(#N)C(C#N)NNC1(=CC=C(OC(F)(F)F)C=C1)'
p9784
sS'CPD-14879'
p9785
S'C(=O)C3(=CC=C2(OC1(=CC(=O)C(N)=CC1=NC2=C3)))'
p9786
sS'PROPIONYL_ADENYLATE'
p9787
S'CCC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O'
p9788
sS'CPD-14659'
p9789
S'CC4(CCCC3(=C([CH]2([CH](C(=COC1(C=C(C)C(=O)O1))C(=O)O2)C3))4))'
p9790
sS'CPD-14658'
p9791
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2C(OC(C)=O)C4(=C3C(C)(C)CCC4))))'
p9792
sS'CPD-12670'
p9793
S'C(O)C(CO)OP(OP(OCC1(OC(C(C1O)O)N2(C(N=C(C=C2)N)=O)))(=O)[O-])(=O)[O-]'
p9794
sS'CPD-14655'
p9795
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2CC4(=C3C(C)(C)CCC(O)4))))'
p9796
sS'CPD-14657'
p9797
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2C(O)C4(=C3C(C)(C)CCC4))))'
p9798
sS'CPD-14872'
p9799
S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CC([N+])C(=O)[O-]'
p9800
sS'CPD-14875'
p9801
S'CC(=O)NC(C([O-])=O)CSC1(=C(N)C(=O)C=C2(C1=NC3(C(O2)=CC=C(C([O-])=O)C=3)))'
p9802
sS'HYDROXYPYRIDINE-N-OXIDE'
p9803
S'C1(C([O-])=CC=C[N+](O)=1)'
p9804
sS'CPD-14877'
p9805
S'CC(=O)NC1(=CC(C([O-])=O)=CC=C(O)1)'
p9806
sS'CPD-14652'
p9807
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2CC4(=C3C(C)(C)CCC4))))'
p9808
sS'CPD-14945'
p9809
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(OC)=C(OC)C(OC)=C3)))'
p9810
sS'CPD0-1414'
p9811
S'CC1(O)(C4(C(C(=O)C2(=C([O-])C3(O)(C(=O)C(C(=O)N)=C([O-])C([N+](C)C)C(CC12)3)))=C(O)C=CC=4))'
p9812
sS'CPD-12675'
p9813
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)[O-])CCCl)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9814
sS'PRECURSOR-Z'
p9815
S'C1(OP([O-])(=O)OC2(C1O[CH]3([CH](C(=O)2)NC4(=C(N3)N=C(N)NC(=O)4))))'
p9816
sS'RAUCAFFRICINE'
p9817
S'CC=C5([CH]3(C6(C(OC(C)=O)C27(C1(C(=CC=CC=1)N=C2[CH](C3)N(C(OC4(OC(CO)C(O)C(O)C(O)4))5)[CH]6C7)))))'
p9818
sS'CPD-13069'
p9819
S'CC3(CC[CH]1(C2(CCC(C(=C)C(C)(C)1)C2)3))'
p9820
sS'CPD-13068'
p9821
S'CCC5(=C(CC3(=C(C)C2(C(=O)C(=O)C(=C1(N[CH](C(=O)[O-])C(C)C(CCC(=O)[O-])1))C=2N3)))NC(CC4(C(C=C)=C(C)C(=O)N4))=C(C)5)'
p9822
sS'CPD-13061'
p9823
S'C(=O)C(O)C(O)C(=O)[O-]'
p9824
sS'CPD-12676'
p9825
S'C(Cl)C1(C(O)C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p9826
sS'CPD-13067'
p9827
S'CCC5(=C(CC3(=C(C)C2(C(=O)CC(=C1([N+]C(C(=O)[O-])C(C)C(CCC(=O)[O-])1))C=2N3)))NC(CC4(C(C=C)=C(C)C(=O)N4))=C(C)5)'
p9828
sS'DIHYDROSTREPTOMYCIN-3-ALPHA-6-BISPHOSPH'
p9829
S'CC3(OC(OC1(C(O)C(OP(=O)([O-])[O-])C(NC(=[N+])N)C(O)C(NC(=[N+])N)1))C(OC2(OC(CO)C(O)C(O)C([N+]C)2))C(CO)(OP(=O)([O-])[O-])3)'
p9830
sS'MORPHOLINE'
p9831
S'C1(COCC[N+]1)'
p9832
sS'CPD66-101'
p9833
S'C(=O)([O-])CC1(O)(C=CC(O)CC(SCC([N+])C(=O)[O-])1)'
p9834
sS'CPD-8796'
p9835
S'CC(C)C2([CH]1([CH](CC=C(C)C1)C(C)=CC2))'
p9836
sS'4-COUMAROYLQUINATE'
p9837
S'C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC=C(O)C=C2))'
p9838
sS'CPD-18710'
p9839
S'CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p9840
sS'CPD-18711'
p9841
S'CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(CC(CC(C)C(OC1(C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2(C(C(C(C(O2)COC(C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC)=O)O)O)OS([O-])(=O)=O))COC(C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(O)CCCCCCCCCCCCCCC)=O)O))=O)C)C'
p9842
sS'CPD-18712'
p9843
S'CCCCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p9844
sS'CPD-18713'
p9845
S'CCCCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O'
p9846
sS'CPD-15705'
p9847
S'CC(C)CCC(O)C(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p9848
sS'CPD-18718'
p9849
S'[CH](=O)C(O)CS(=O)(=O)[O-]'
p9850
sS'CPD-15870'
p9851
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)([O-])([O-])SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))'
p9852
sS'CPD-17834'
p9853
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C'
p9854
sS'CPD-17835'
p9855
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C)C)C)C)C'
p9856
sS'CPD-17836'
p9857
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C)C)C)C'
p9858
sS'CPD-15871'
p9859
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(=S)([O-])SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))'
p9860
sS'CPD-17830'
p9861
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C)C)C'
p9862
sS'CPD-17831'
p9863
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C)C)C'
p9864
sS'CPD-17832'
p9865
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C)C'
p9866
sS'CPD-17833'
p9867
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C'
p9868
sS'112-DIAMINOOCTANE'
p9869
S'C(CCCCCCCCCCC[N+])[N+]'
p9870
sS'CPD-17838'
p9871
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C)C)C'
p9872
sS'CPD-17839'
p9873
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C)C'
p9874
sS'O-FORMAMINOACETOPHENONE'
p9875
S'CC(=O)C1(C=CC=CC(NC=O)=1)'
p9876
sS'CPD-14946'
p9877
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C(OC)=2)=C(O)C=C(O)C=3)))'
p9878
sS'DIHYDROMETHANOPHENAZINE'
p9879
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOC3(=CC2(NC1(=CC=CC=C1NC=2C=C3)))'
p9880
sS'CPD-18106'
p9881
S'C1(=CC=C(C(Cl)=C1)[N+]([O-])=O)'
p9882
sS'CPD-14873'
p9883
S'C(=O)([O-])C1(C=C(N)C(O)=CC=1)'
p9884
sS'CPD-14656'
p9885
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2CC4(=C3C(C)(C)CCC(OC(C)=O)4))))'
p9886
sS'DIMETHYL-GLYCINE'
p9887
S'C[N+](CC([O-])=O)C'
p9888
sS'CPD-14651'
p9889
S'CC1(CCCC(C)(C)C=1C=CC(C([O-])=O)=COC2(C=C(C)C(=O)O2))'
p9890
sS'CPD-14874'
p9891
S'CC(=O)NC(C([O-])=O)CSC1(=C(N)C(=O)C=C2(C1=NC3(C(O2)=CC=C([CH]=O)C=3)))'
p9892
sS'2-HEXAPRENYL-3-METHYL-6-METHOXY-14-BENZ'
p9893
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C'
p9894
sS'2-HYDROXYGLUTARYL-COA'
p9895
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(O)CCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9896
sS'CAPSANTHIN'
p9897
S'CC(C=CC=C(C=CC1(C(CC(CC=1C)O)(C)C))C)=CC=CC=C(C=CC=C(C=CC(=O)C2(CC(CC2(C)C)O)C)C)C'
p9898
sS'CPD-664'
p9899
S'C1(CC(O)C([N+]1)C(=O)[O-])'
p9900
sS'CPD-14876'
p9901
S'CC(=O)NC1(=CC([CH]=O)=CC=C([O-])1)'
p9902
sS'CPD-8716'
p9903
S'CC(C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC=2C=3)C)))C'
p9904
sS'CPD-14426'
p9905
S'CCC=CCC=CCC=CCC=CCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9906
sS'GTP'
p9907
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p9908
sS'CPD-8717'
p9909
S'CC(C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC=2C=3)C)))C'
p9910
sS'CPD-8710'
p9911
S'CC(=C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p9912
sS'12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC'
p9913
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C5(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C(OC(=O)C4(=CC(O)=C(O)C(O)=C4))5)OC(C6(C=C(O)C(O)=C(O)C=6))=O)'
p9914
sS'EPISTEROL'
p9915
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1C2CCC(C)34))))'
p9916
sS'34-DICHLOROANILINE'
p9917
S'C1(C(N)=CC(=C(C=1)Cl)Cl)'
p9918
sS'CPD-265'
p9919
S'C(CCCC([N+])C(=O)[O-])NO'
p9920
sS'4812-TRIMETHYLTRIDECANOYL-COA'
p9921
S'CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p9922
sS'CPD-14186'
p9923
S'CC(=O)NC1(C(OC(CO)C(O)C(O)1)OC4(C(C(OC3(C(C([N+])CC([N+])C(OC2(OC(CO)C(O)C(O)C([N+])2))3)O))OC4CO)O))'
p9924
sS'1122-TETRACHLOROETHANE'
p9925
S'C(C(Cl)Cl)(Cl)Cl'
p9926
sS'CPD-12820'
p9927
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(OCC(O)COP(=O)([O-])[O-])=O)OC(=O)CCCCCCCCCCCCCCCCC'
p9928
sS'CPD-12821'
p9929
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OCC(O)COP(=O)([O-])[O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p9930
sS'CPD-12822'
p9931
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(OCC(O)CO)([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC'
p9932
sS'CPD-12824'
p9933
S'CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(OCC(COP([O-])(OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)=O)O)=O)OC(CCCCCCCCCCCCCCC)=O'
p9934
sS'CPD-15297'
p9935
S'C(=[N+]1(C2(C(CC(C([O-])=O)1)=CC(=C(O)C=2)OC3(OC(C(O)C(O)C(O)3)COC(=O)C=CC4(=CC(=C(O)C=C4)OC)))))C=C5(C=C(C([O-])=O)[N+]C(C([O-])=O)C5)'
p9936
sS'CPD-12826'
p9937
S'C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))'
p9938
sS'CPD-15295'
p9939
S'C6(C(C2(=[O+]C1(C=C(C=C4(C=1C=C2OC3(C(C(C(O)C(O3)COC(CC(O)C(=O)OCC5(C(O)C(O)C(O)C(O4)O5))=O)O)O)))[O-])))=CC(O)=C(C=6)O)'
p9940
sS'CPD-12829'
p9941
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCC1(=CC(=C(C(=C1O)C)C)O))C)C)C'
p9942
sS'ADENOSYLCOBINAMIDE-GDP'
p9943
S'CC(OP([O-])(=O)OP([O-])(=O)OCC3(C(O)C(O)C(N2(C1(=C(C(=O)NC(N)=N1)N=C2)))O3))CNC(=O)CCC%11(C)(C(CC(=O)N)C%13(C%14(C)(C(C)(CC(N)=O)C(CCC(N)=O)C7(=[N+]([Co--]8%12(CC6(C(O)C(C(N5(C=NC4(C(N)=NC=NC=45)))O6)O))([N+]%10(C(=CC9(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)7)[N+]8=9))C(C)(C)C(CCC(N)=O)C=%10C(C)=C%11N%12%13)))%14))))'
p9944
sS'DCMP'
p9945
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p9946
sS'CPD-17567'
p9947
S'C1(=C([N+]([O-])=O)C(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p9948
sS'CPD-9245'
p9949
S'CCCCCCC=CCCCCCCCC(=O)[O-]'
p9950
sS'CPD-9532'
p9951
S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))OC)'
p9952
sS'CPD-9247'
p9953
S'CCCCCCC=CCCCCCCCCCC(=O)[O-]'
p9954
sS'GALACTITOL-1-PHOSPHATE'
p9955
S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)CO'
p9956
sS'CPD-9240'
p9957
S'CC(=CCCC(O)([CH]1([CH]2(C(C)(CC1)C3(C)(CC[CH]4(C(C(O)CCC(C)([CH](CC2)3)4)(C)C)))))C)C'
p9958
sS'CPD-9534'
p9959
S'CC(C)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p9960
sS'CPD-17562'
p9961
S'COC1(=C([N+])C=C([N+]([O-])=O)C=C1)'
p9962
sS'CPD-9539'
p9963
S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p9964
sS'CPD-9249'
p9965
S'CC(C)=CCCC(C)(OC1(OC(CO)C(C(O)C(O)1)O))[CH]5(CCC6(C7(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)OC4(OC(CO)C(C(O)C(OC3(OC(CO)C(C(O)C(O)3)O))4)O))[CH](CC(O)[CH]56)7)))(C))'
p9966
sS'CPD-3921'
p9967
S'C1(CCCCC(=O)NCCCCCC(=O)N1)'
p9968
sS'CPD-10113'
p9969
S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))'
p9970
sS'1-DEOXY-D-ALTRO-HEPTULOSE-7-PHOSPHATE'
p9971
S'CC(=O)C(O)C(O)C(O)C(O)COP(=O)([O-])[O-]'
p9972
sS'CPD-12673'
p9973
S'C(=O)([O-])C(O)C(O)C(O)CCl'
p9974
sS'CPD-7592'
p9975
S'CC4(C(C3(CC89(C(C(CCC(=O)[O-])C6(=[N+]([Ni--]25([N+]1(=C(C(C(C1CC(=[N+]23)4)CC(=O)[O-])CCC(=O)[O-])C=C7(N5C(=C6)C(C(CCC(=O)[O-])7)CC([O-])=O))))8))(CC(=O)N9)C)))CCC([O-])=O)(CC(=O)N)'
p9976
sS'CPD-7591'
p9977
S'CC3(CC(N)=O)(C(C2(C=C8(N5(C(=CC7(=[N+]6(C(CC1(C(C)(CC(N)=O)C(CCC(=O)[O-])C4([N+]=1[Ni--]([N+]=2C3=C4)56)))C(C(CCC([O-])=O)7)CC([O-])=O)))C(CCC([O-])=O)C(CC(=O)[O-])8))))CCC([O-])=O)'
p9978
sS'CPD-7590'
p9979
S'CC5(C7(=CC3(=[N+]2([Ni--]46([N+]1(=C(C(C(C1C=C2C(C3CCC([O-])=O)(CC(=O)N)C)CC(=O)[O-])CCC(=O)[O-])C=C8(N4C(=CC(C(CCC(=O)[O-])5)=[N+]67)C(C(CCC(=O)[O-])8)CC([O-])=O)))))))CC(=O)N'
p9980
sS'COLI-ACPP-GROUP'
p9981
S'CC(C)(COP(=O)([O-])OCC(N[apo-[acyl'
p9982
sS'CPD-13997'
p9983
S'C(C1(OC(C(C(C1O)O)O)OC2(C(OC(C(C2O)O)OP([O-])(=O)[O-])CO)))O'
p9984
sS'CPD-7598'
p9985
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO'
p9986
sS'CPD-13993'
p9987
S'C2(Cl)(N=C(NC1(=CC=CC(S([O-])(=O)=O)=C1))N=C(N)N=2)'
p9988
sS'CPD-13992'
p9989
S'C2(C=C(N=NC1(C=CC=CC(S([O-])(=O)=O)=1))C(S([O-])(=O)=O)=CC=2)'
p9990
sS'N6-ACETYLKANAMYCIN-B'
p9991
S'CC(=O)NCC3(OC(OC2(C([N+])CC([N+])C(OC1(OC(CO)C(O)C([N+])C(O)1))C(O)2))C([N+])C(O)C(O)3)'
p9992
sS'CPD-9650'
p9993
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])[O-])([O-])=O)C)C)C)C)C)C)C)C)C)C)C)C'
p9994
sS'THIOGLYCOLATE'
p9995
S'C(C([O-])=O)S'
p9996
sS'CPD-3703'
p9997
S'CCOP(=O)(OCC)OCC'
p9998
sS'CPD-13418'
p9999
S'CC9(OC(OC8(C(C(C(OC(OC7(C(OCC6(OC(OC1(C(O)C(O)C(O)OC(CO)1))C(O)C(O)C(OC5(OC(COC2(C(C(C(CO2)O)O)O))C(OC4(OC(COC3(C(C(C(CO3)O)O)O))C(O)C(O)C(O)4))C(O)C(O)5))6))OCC(C7O)O))8)CO)O)O))C(C(C9O)O)O)'
p10000
sS'CPD-8690'
p10001
S'CCCCC=COC=CC=CCCCCCCCC([O-])=O'
p10002
sS'CPD-15632'
p10003
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C(O)=C(O)2)O3)))'
p10004
sS'CPD-13665'
p10005
S'CC(=O)NC1(C(O)OC(COS(=O)([O-])=O)C(O)C(O)1)'
p10006
sS'TRYPANOTHIONE'
p10007
S'C([N+]CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O)CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O'
p10008
sS'CPD-13667'
p10009
S'CC3(CC4(C2(=CC(=O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p10010
sS'CPD-13666'
p10011
S'CC3(CC4(C2(=CC(O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p10012
sS'CPD-13661'
p10013
S'C=CC=CCC1(=C(C)C(O)CC(=O)1)'
p10014
sS'CPD-13660'
p10015
S'CC3(C=C[CH]1(CCCC[CH]1C(C2(=CC(OC)=C([CH]=O)C(=O)O2))3))'
p10016
sS'CPD-13662'
p10017
S'CC(=CC1(C(C(=O)[O-])C1(C)C))C'
p10018
sS'SPERMINE'
p10019
S'C(CCC[N+]CCC[N+])[N+]CCC[N+]'
p10020
sS'CPD-13669'
p10021
S'CC1(C(CCC2(C3(C(CCC12)(C4(C(=CC(O)3)C5(C(CC4)(CCC(C5)(CO)C)C))C)C))C)O)C'
p10022
sS'CPD-13668'
p10023
S'CC1(C(CCC2(C3(C(CCC12)(C4(C(=CC3)C5(C(CC4)(CCC(C5)(CO)C)C))C)C))C)O)C'
p10024
sS'VINYL-ACETATE'
p10025
S'C=CCC(=O)[O-]'
p10026
sS'2-CHLOROETHYLAMINE'
p10027
S'C(Cl)C[N+]'
p10028
sS'CPD-11292'
p10029
S'C2(=O)(NC1(C=CC=CC=1C(C(=O)[O-])=C2))'
p10030
sS'CPD-11293'
p10031
S'CC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p10032
sS'CPD-11291'
p10033
S'CC(C)CC(C(CC(NC(C)C(NC(C(CC(=O)O)O)CC(C)C)=O)=O)O)NC(C(C(C)C)NC(C(C(C)C)NC(CC(C)C)=O)=O)=O'
p10034
sS'CPD-16015'
p10035
S'CC(=N)C(=O)[O-]'
p10036
sS'BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE'
p10037
S'CC(=O)NC2(C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)'
p10038
sS'CPD-16017'
p10039
S'CCCCCCCCC=CCCCCCCCC(OC4(CCC1(C)(C(=CC=C2([CH]1CCC3(C)([CH](C(C=CC(C)C(C)C)C)CC[CH]23)))C4)))=O'
p10040
sS'CPD-16016'
p10041
S'CCCCCCCCC=CCCCCCCCC(=O)OC4(CCC1(C)([CH](CCC2(=C1CCC3(C)([CH](C(CCC=C(C)C)C)CCC(C)23)))C(C)(C)4))'
p10042
sS'CPD-6951'
p10043
S'CC1(C(CCC2(C3(CCC4(C5(C(CCC(CCC(C(CCC12)3C)4C)(C)5)C(O)(C)C))))C)O)C'
p10044
sS'CPD-16010'
p10045
S'CCC(C(NC(C[N+])=O)C(NCC(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NCC(NC(C(N3(C(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(N)=O)CCC(N)=O)=O)CCC(N)=O)=O)CCCNC(N)=[N+])=O)CCCC[N+])=O)CCCNC(N)=[N+])=O)CCCC[N+])=O)C(CC)C)=O)CC2(C1(C(=CC=CC=1)NC=2)))=O)CO)=O)C(CC)C)=O)CC(C)C)=O)C)=O)CCC3))=O)CC(C)C)=O)=O)C(O)C)=O)C(O)C)=O)CC(C)C)=O)C(C)C)=O)CCCC[N+])=O)CC(C)C)=O)C(C)C)=O)C)=O)=O)C'
p10046
sS'2-OCTAPRENYLPHENOL'
p10047
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C'
p10048
sS'--ABIETADIENE'
p10049
S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C)C)CC=C2C=3)C)))C'
p10050
sS'CPD-17638'
p10051
S'CCCCCC(O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10052
sS'CPD-17639'
p10053
S'C=CCCCCCCCCCC(=O)[O-]'
p10054
sS'CPD-17637'
p10055
S'CCCCCC(O)CCCCCC([O-])=O'
p10056
sS'CPD66-35'
p10057
S'CCCCCCCCCCCCCCCC(=O)OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O'
p10058
sS'CPD66-34'
p10059
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O'
p10060
sS'CPD-17630'
p10061
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC1(C(O1)CCCCCCCCO))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p10062
sS'CPD-17631'
p10063
S'CCCCCCCCC4(C(CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])O4)'
p10064
sS'CPD-8117'
p10065
S'CCCCCC=CCC=CCC=CCCCCC(=O)[O-]'
p10066
sS'CPD-8692'
p10067
S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CC=C2C=3)C)))C'
p10068
sS'CPD-13528'
p10069
S'CC(C([O-])=O)NC(=O)C([N+])CCCC([N+])C([O-])=O'
p10070
sS'CPD-13529'
p10071
S'CC(C(NC(C([O-])=O)CCC([O-])=O)=O)NC(=O)C(C)OC1(C(O)C(CO)OC(O)C(NC(C)=O)1)'
p10072
sS'CPD-13527'
p10073
S'CC(C(NC(C(NC(CCCC(C([O-])=O)[N+])C(NC(C(=O)[O-])C)=O)=O)CCC([O-])=O)=O)NC(=O)C(C)OC1(C(O)C(CO)OC(O)C(NC(C)=O)1)'
p10074
sS'CPD-13130'
p10075
S'CC(O)C(O)C(O)C(=O)C=O'
p10076
sS'CPD1A0-6104'
p10077
S'CC(C1(=C(CC2(=CC=CC(=C(C1=O)2)O))CC(=O)CC(=O)[O-]))=O'
p10078
sS'CPD1A0-6105'
p10079
S'CC(=O)C2(=C(CC(O)CC([O-])=O)CC1(C=CC=C(O)C=1C(=O)2))'
p10080
sS'CPD1A0-6106'
p10081
S'CC2(O)(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p10082
sS'CPD-11744'
p10083
S'C([O-])(=O)C(C(O)C([O-])=O)C[PH]([O-])=O'
p10084
sS'CPD-11746'
p10085
S'CC(=O)NC(C([O-])=O)CC[PH](=O)[O-]'
p10086
sS'CPD-11747'
p10087
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CC[PH](=O)[O-])NC(C)=O'
p10088
sS'CPD-11740'
p10089
S'C(P(C([O-])=O)([O-])=O)C(=O)C(=O)[O-]'
p10090
sS'CPD-11742'
p10091
S'C([O-])(=O)CC(O)(C([O-])=O)C[PH]([O-])=O'
p10092
sS'CPD-11743'
p10093
S'C([O-])(=O)C(=O)CC[PH]([O-])=O'
p10094
sS'Ergothioneine-Thione'
p10095
S'C[N+](C)(C)C(CC1(=CNC(=S)N1))C(=O)[O-]'
p10096
sS'CPD-12672'
p10097
S'C(Cl)C1(C(O)C(O)C(=O)O1)'
p10098
sS'CPD-11227'
p10099
S'CCC(C(NC(CC2(C1(=C(C=CC=C1)NC=2)))=O)C([O-])=O)C'
p10100
sS'TMP'
p10101
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])[O-])O2))'
p10102
sS'CPD-8378'
p10103
S'CCCCCCCCC=CCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10104
sS'CPD-8379'
p10105
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10106
sS'CPD-8372'
p10107
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10108
sS'CPD-8373'
p10109
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10110
sS'CPD-8370'
p10111
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCC=CCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p10112
sS'CPD-8371'
p10113
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10114
sS'CPD-8376'
p10115
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10116
sS'CPD-8377'
p10117
S'CCC=CCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10118
sS'CPD-8374'
p10119
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10120
sS'CPD-8375'
p10121
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p10122
sS'CPD-13294'
p10123
S'C(O)C1(C(O)C(O)C(O1)OC2(C=CC(=CC=2)[N+]([O-])=O))'
p10124
sS'CPD-13295'
p10125
S'C(O)C1(C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)O2))'
p10126
sS'CPD-13296'
p10127
S'C(O)C1(C(O)C(O)C(O1)OCC2(C(O)C(O)C(O2)OCC3(C(O)C(O)C(O)O3)))'
p10128
sS'CPD-13290'
p10129
S'C2(O)(OCC(O)C(OC1(C(C(C(CO1)O)O)O))C(O)2)'
p10130
sS'CPD-13291'
p10131
S'C1(C(C(C(CO1)O)OC3(OCC(O)C(OC2(C(C(C(CO2)O)O)O))C(O)3))O)O'
p10132
sS'CPD-13292'
p10133
S'C1(C(C(C(CO1)O)OC2(C(C(C(CO2)O)OC4(OCC(O)C(OC3(C(C(C(CO3)O)O)O))C(O)4))O))O)O'
p10134
sS'CPD0-1253'
p10135
S'C2(NC3(=C(N=C(NCC1(=CC=C(C([O-])=O)C=C1))2)C(=O)NC(N)=N3))'
p10136
sS'CPD-13298'
p10137
S'CC1(NC2(=C(C=1)C=CC=C2))'
p10138
sS'CPD-11229'
p10139
S'C2(NC1(=C(C=CC=C1)C=2CC(NC(C([O-])=O)CC3(C=CC(O)=CC=3))=O))'
p10140
sS'CPD-6122'
p10141
S'C1(CC[N+]C2(CCCN12))'
p10142
sS'UDP-N-ACETYLMURAMATE'
p10143
S'CC(OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3))C(=O)[O-]'
p10144
sS'VALERATE'
p10145
S'CCCCC(=O)[O-]'
p10146
sS'CPD-37'
p10147
S'[CH](=O)C(O)C(O)CC(=O)C(=O)[O-]'
p10148
sS'CPD-20'
p10149
S'CC(=O)CC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O'
p10150
sS'CPD-21'
p10151
S'[Tl+]'
p10152
sS'CPD-19056'
p10153
S'CC(C)C'
p10154
sS'L-CITRULLINE'
p10155
S'C(NC(N)=O)CCC([N+])C(=O)[O-]'
p10156
sS'PALMITALDEHYDE'
p10157
S'CCCCCCCCCCCCCCC[CH]=O'
p10158
sS'CPD4FS-8'
p10159
S'CC(=CCO)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p10160
sS'CPD-10366'
p10161
S'CC=C1(N(C)C(CCC(NC(=O)C(C)C(NC(C(NC(C(C(NC1=O)C(=O)[O-])C)=O)CCCNC(N)=[N+])=O)C=CC(C)=CC(C)C(OC)CC2(C=CC=CC=2))C(=O)[O-])=O)'
p10162
sS'CPD-10369'
p10163
S'CCC(C)C2(C(=O)OC(C)C(C(NC(CCC1(C=CC(=CC=1)O))C(NC4(C(N(C(C(N(C)C(C(N2)=O)CC3(C=CC(=CC=3)OC))=O)C(C)O)C(CC4)O)=O))=O)=O)NC(C(CCC(N)=O)NC=O)=O)'
p10164
sS'CPD-10368'
p10165
S'CCC(C)C3(NC(C(CC1(C=CC(O)=C(Cl)C=1))N(C)C(C(C(C)O)N4(C(O)CCC(NC(C(CCC2(C=CC(O)=CC=2))NC(=O)C(NC(=O)C(NC=O)CCC(=O)N)C(C)OC3=O)=O)C4=O))=O)=O)'
p10166
sS'CREATINE-P'
p10167
S'C(C(=O)[O-])N(C)C(NP(=O)([O-])[O-])=[N+]'
p10168
sS'SULFOACETALDEHYDE'
p10169
S'[CH](=O)CS([O-])(=O)=O'
p10170
sS'GDP-GALACTOSE'
p10171
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1))C2(OC(C(O)C(O)2)N4(C=NC3(C(=O)NC(N)=NC=34)))'
p10172
sS'CPD-2982'
p10173
S'C1(C(=CC(O)=C(O)C=1)C=C2(OC3(=CC(=CC(O)=C(C2=O)3)[O-])))'
p10174
sS'CPD-16909'
p10175
S'C(O)CC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p10176
sS'CPD-16908'
p10177
S'CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1C(O)C2))'
p10178
sS'CPD-16907'
p10179
S'CC1(CC[CH]2(C(CCC(O)CC(O)CC([O-])=O)C(C)C=C[CH](C1)2))'
p10180
sS'CPD-16906'
p10181
S'CC1(CC[CH]2(C(CCC(O)CC(O)CC([O-])=O)C(C)C(O)C=C(C1)2))'
p10182
sS'CPD-16905'
p10183
S'CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1CC2))'
p10184
sS'CPD-19053'
p10185
S'C(Br)CS(=O)(=O)[O-]'
p10186
sS'CPD-16903'
p10187
S'CC2(CC[CH]3(C(CCC1(OC(=O)CC(O)C1))C(C)C(O)C=C(C2)3))'
p10188
sS'CPD-16902'
p10189
S'CCCCCCCCCCCCCCCCCC'
p10190
sS'CPD0-1141'
p10191
S'CC(C)(C)C(=O)C(=O)OCC1(C(O)C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3)))'
p10192
sS'CPD-17837'
p10193
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C)C)C'
p10194
sS'CPD-12218'
p10195
S'C(CC(O)C1(=CC=CC=C1))([O-])=O'
p10196
sS'CPD-12217'
p10197
S'C(C1(=CC=CC=C1))(=O)OCCC2(=CC=CC=C2)'
p10198
sS'1-KESTOTRIOSE'
p10199
S'C(O)C3(OCC2(OC1(OC(CO)C(O)C(O)C(O)1))(C(O)C(O)C(CO)O2))(C(O)C(O)C(CO)O3)'
p10200
sS'CPD-12215'
p10201
S'CC(=O)OCC=CC1(=CC=C(O)C=C1)'
p10202
sS'CPD-12214'
p10203
S'COC1(=CC(=CC=C(O)1)C=CC(=O)NCCCN(C(C=CC2(C=C(OC)C(O)=CC=2))=O)CCCCNC(=O)C=CC3(=CC=C(O)C(=C3)OC))'
p10204
sS'CPD-12213'
p10205
S'C(NC(C=CC1(C=CC(O)=C(O)C=1))=O)CCN(C(C=CC2(C=CC(O)=C(O)C=2))=O)CCCCNC(=O)C=CC3(=CC(O)=C(O)C=C3)'
p10206
sS'CPD0-1143'
p10207
S'C2(=O)(C1(N=NNC=1NC(=N)N2))'
p10208
sS'CPD-12210'
p10209
S'C(=[N+])(NN)N'
p10210
sS'CPD-15843'
p10211
S'CCC=CCC=CCC(C=CCCCCCCC(=O)[O-])OO'
p10212
sS'CPD-15842'
p10213
S'CCCCCC=CCC(C=CCCCCCCC(=O)[O-])OO'
p10214
sS'CPD-15841'
p10215
S'CCCCCCCCC(C=CCCCCCCC(=O)[O-])O'
p10216
sS'CPD-15840'
p10217
S'CCCCCCCCC(C=CCCCCCCC(=O)[O-])OO'
p10218
sS'CPD-9947'
p10219
S'CC=CC1(C=C(OC)C=CC(O)=1)'
p10220
sS'CPD-15848'
p10221
S'C([O-])(=O)C1(C=CC(O)C(O)C=1)'
p10222
sS'CPD-10507'
p10223
S'C2(C=CC1(=C(C(CCCC(=O)[O-])=CN1)C=2))'
p10224
sS'X-PHOSPHATE-GROUP'
p10225
S'OP(=O)[O-]'
p10226
sS'CPD-10503'
p10227
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(=O)C4))))'
p10228
sS'CPD-4661'
p10229
S'C=C(C1(CC2(C(C(CC(C(=CC1)2)O)O)C)C))C'
p10230
sS'CPD-4662'
p10231
S'C=C(C1(CC2(C(C(CCC(=CC1)2)O)C)C))C'
p10232
sS'CPD-4663'
p10233
S'C=C(C1(CC2(C(CCC(C(=CC1)2)O)C)C))C'
p10234
sS'CPD-18949'
p10235
S'CCC1(C=CC=C(C)C(N(C(=O)CCl)C(C)COC)=1)'
p10236
sS'CPD-18948'
p10237
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)COC)=1)'
p10238
sS'CPD-18945'
p10239
S'CCC1(C=CC=C(CC)C(NC(=O)CCl)=1)'
p10240
sS'CPD-18946'
p10241
S'CCC1(C=CC=C(CC)C(N)=1)'
p10242
sS'CPD-18941'
p10243
S'CCCCOCN(C(=O)CCl)C1(=C(CC)C=CC=C(CC)1)'
p10244
sS'CPD-18940'
p10245
S'CC([C-]1(OC(NC=CCC([N+])C(=O)[O-])=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p10246
sS'HYDROXYMETHYL-ETCETERA-DIHYDROXYCYCLOHEX'
p10247
S'C1(C=C([O-])C(=O)C(O)C(CO)1)'
p10248
sS'CPD-18942'
p10249
S'CC1(=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)'
p10250
sS'CPD-17537'
p10251
S'C1(=[N+](C=CC(=C1)C3(C=C[N+](CC2(=CC=CC=C2))=CC=3))CC4(=CC=CC=C4))'
p10252
sS'7-METHYL-3-OXOOCTANOYL-COA'
p10253
S'CC(C)CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10254
sS'CPD-17788'
p10255
S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)O)'
p10256
sS'FAD'
p10257
S'CC6(=C(C)C=C5(C(N=C1(C(=O)[N-]C(=O)N=C1N(CC(C(O)C(O)COP(OP([O-])(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))=O)([O-])=O)O)5))=C6))'
p10258
sS'ISOCHROMANONE'
p10259
S'C1(C2(=CC=CC=C(CC(O1)=O)2))'
p10260
sS'PREPHENATE'
p10261
S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p10262
sS'INDOLE-3-ACETYL-BETA-4-D-GLUCOSE'
p10263
S'C2(NC3(=C(C(CC(OC1(C(O)C(O)C(O)OC(CO)1))=O)=2)C=CC=C3))'
p10264
sS'CPD-15056'
p10265
S'CC=C(N)C(=O)[O-]'
p10266
sS'CPD0-2070'
p10267
S'CC1(CSC2(C(C(N(C(C(=O)O)=1)2)=O)NC(C(C3(C=CC(=CC=3)O))N)=O))'
p10268
sS'CPD0-2071'
p10269
S'CC(C(NC(C)P(=O)(O)O)=O)N'
p10270
sS'CPD0-2072'
p10271
S'C=C([N+]C(C([O-])=O)CCCCNC2(=CC=C1(C(C)=C(CC([O-])=O)C(=O)OC1=C2)))CC[N+]'
p10272
sS'CPD0-2074'
p10273
S'CCCCCCS(=O)(=O)O'
p10274
sS'CPD0-2075'
p10275
S'CCCCCS(=O)(=O)O'
p10276
sS'CPD0-2076'
p10277
S'C(OC([R])=O)C(OC([R])=O)COP(=O)([O-])OP(=O)([O-])OOC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p10278
sS'CPD0-2077'
p10279
S'CC(N)(C(=O)O)CCC(=O)O'
p10280
sS'DIHYDRO-DIOH-BENZOATE'
p10281
S'C([O-])(=O)C1(=CC=CC(C1O)O)'
p10282
sS'ENOL-PHENYLPYRUVATE'
p10283
S'C([O-])(=O)C(O)=CC1(C=CC=CC=1)'
p10284
sS'DIVINYLCHLOROPHYLLIDE-A'
p10285
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p10286
sS'FORMATE'
p10287
S'[CH]([O-])=O'
p10288
sS'FLUORENE'
p10289
S'C1(=CC=C3(C(=C1)CC2(C(=CC=CC=2)3)))'
p10290
sS'2F1INDANONE'
p10291
S'C(C2(C(C1(C(=CC=CC=1)C2))=O))=O'
p10292
sS'NITROUS-OXIDE'
p10293
S'N#N=O'
p10294
sS'TYRAMINE'
p10295
S'C1(C=C(O)C=CC(CC[N+])=1)'
p10296
sS'CPD-18369'
p10297
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+])=O'
p10298
sS'CPD-18368'
p10299
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC[N+])=O'
p10300
sS'3H1INDANONE'
p10301
S'C1(=CC=C2(C(CC(C(=C1)2)O)=O))'
p10302
sS'CPD-18361'
p10303
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p10304
sS'CPD-18360'
p10305
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-])=O'
p10306
sS'CPD-18363'
p10307
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p10308
sS'CPD-18362'
p10309
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC(O)CO)=O'
p10310
sS'CPD-18365'
p10311
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p10312
sS'CPD-18364'
p10313
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p10314
sS'CPD-18367'
p10315
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC[N+])=O'
p10316
sS'CPD-18366'
p10317
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(C(=O)[O-])[N+])=O'
p10318
sS'CPD-14466'
p10319
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p10320
sS'CPD-14467'
p10321
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(O)1)2)C=CC=C3NC=4))))'
p10322
sS'3-DEHYDRO-ALPHA-GLUCOSE'
p10323
S'C(O)C1(OC(C(C(C1O)=O)O)O)'
p10324
sS'CPD-14465'
p10325
S'CC(C=O)C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p10326
sS'CPD0-2258'
p10327
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%11(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%10(C(=O)[O-])(OC(C(OC6(C(O)C(OC5(C(O)C(OC3(C(O)C(C(O)C(COC2(C(O)C(C(O)C(CO)O2)O))O3)O))C(OP([O-])(=O)[O-])C(C(O)COC4(C(O)C(O)C(O)C(C(O)CO)O4))O5))C(OP([O-])(=O)[O-])C(C(O)CO)O6))C(OC8(C(=O)[O-])(CC(C(OC7(OC(C(O)C(O)C(O)7)C))C(C(O)CO)O8)OC9(C(=O)[O-])(CC(C(O)C(C(O)CO)O9)O)))C%10)C(O)CO))C%11OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p10328
sS'CPD0-2259'
p10329
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%13(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%12(C(=O)[O-])(OC(C(OC8(C(O)C(OC7(C(O)C(OC3(C(O)C(C(O)C(COC2(C(O)C(C(O)C(CO)O2)O))O3)OC5(OC(CO)C(O)C(O)C(OC4(OC(CO)C(O)C(O)C(O)4))5)))C(OP([O-])(=O)[O-])C(C(O)COC6(C(O)C(O)C(O)C(C(O)CO)O6))O7))C(OP([O-])(=O)[O-])C(C(O)CO)O8))C(OC%10(C(=O)[O-])(CC(C(OC9(OC(C(O)C(O)C(O)9)C))C(C(O)CO)O%10)OC%11(C(=O)[O-])(CC(C(O)C(C(O)CO)O%11)O)))C%12)C(O)CO))C%13OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p10330
sS'CPD-14460'
p10331
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p10332
sS'CPD-14461'
p10333
S'C(O)C1(OC(C(O)C(O)C(O)1)OC3(=CC2(C=CC(OC=2C=C(O)3)=O)))'
p10334
sS'CPD-17993'
p10335
S'CC=CC3(C(C)(C(O)=C1(C(=O)C(CO)NC(=O)1))[CH]2([CH](CC(C)CC2)C=C3))'
p10336
sS'CPD-17992'
p10337
S'CC=CC3(C(C)(C(O)=C1(C(=O)C(CO)N(C)C(=O)1))[CH]2([CH](CC(C)CC2)C=C3))'
p10338
sS'CPD-6404'
p10339
S'COC1(C=CC2(=C(C=1)OC(C(N2)=O)O))'
p10340
sS'CPD0-2257'
p10341
S'CCCCCCCCCCCCCC(=O)OC(CC(OC8(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC7(C(=O)[O-])(OC(C(OC4(C(O)C(OC3(C(O)C(O)C(OP([O-])(=O)[O-])C(C(O)COC2(C(O)C(O)C(O)C(C(O)CO)O2))O3))C(OP([O-])(=O)[O-])C(C(O)CO)O4))C(OC5(C(=O)[O-])(CC(C(O)C(C(O)CO)O5)OC6(C(=O)[O-])(CC(C(O)C(C(O)CO)O6)O)))C7)C(CO)O))C8OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p10342
sS'4-FLUOROBENZOATE'
p10343
S'C(=O)([O-])C1(C=CC(F)=CC=1)'
p10344
sS'CPD-6403'
p10345
S'C(C(=O)N)NC(=O)C(NC(CCC([N+])C(=O)[O-])=O)CSS'
p10346
sS'CPD-14468'
p10347
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(OC(C)=O)1)2)C=CC=C3NC=4))))'
p10348
sS'CPD-6401'
p10349
S'C(NC(C(CS)NC(=O)CCC(C([O-])=O)[N+])=O)C(N)=O'
p10350
sS'SULFO-CYSTEINE'
p10351
S'C(C([N+])C(=O)[O-])SS([O-])(=O)=O'
p10352
sS'CPD-15598'
p10353
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(NC(=O)C)C(O)3)))'
p10354
sS'CPD-13496'
p10355
S'CC(CO)=CCCC3(C1(CC2(C(C1)C(C)23)))C'
p10356
sS'CPD-15595'
p10357
S'CC(O)(C)CCC(OP([O-])(=O)[O-])C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p10358
sS'CPD-15594'
p10359
S'CC(C(OP([O-])(=O)[O-])CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p10360
sS'CPD-15590'
p10361
S'[CH](=O)C(C(C(C(CO)O)O)O)O'
p10362
sS'CPD-15592'
p10363
S'CC1(OC(O)C(O)C(O)C([N+])1)'
p10364
sS'CPD-13859'
p10365
S'C=C(C)C(=O)[O-]'
p10366
sS'CPD-13857'
p10367
S'CC2(CC[CH]1(C(C)(C)[CH]1[CH]3(C(C)CCC=23)))'
p10368
sS'CPD-13854'
p10369
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(=O)[O-]'
p10370
sS'CPD-13855'
p10371
S'C(OP(=O)(OP(=O)([O-])[O-])[O-])C1(OC(C(O)C(O)1)N3(C=[N+](C)C2(C(=O)NC(N)=NC=23)))'
p10372
sS'CPD-13852'
p10373
S'C(C3(C(CC(N2(C1(=C(C(=NC(=O)N1)N)N=C2)))O3)O))OP([O-])([O-])=O'
p10374
sS'CPD-13853'
p10375
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p10376
sS'CPD-13851'
p10377
S'C(C3(C(CC(N2(C1(=C(C(=NC(=O)N1)N)N=C2)))O3)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O'
p10378
sS'CPD-9011'
p10379
S'C([N+])CCC([N+])CC(=O)NC3(C([N+]=C2(NC1(C(C(=O)NCC(O)1)N2)))OC(CO)C(OC(=O)N)C(O)3)'
p10380
sS'INDOLE-3-KETOL'
p10381
S'C2(=C(C(=O)CO)C1(C=CC=CC=1N2))'
p10382
sS'CPD-6741'
p10383
S'C1(O)(C(OP(=O)([O-])[O-])C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p10384
sS'CPD-6743'
p10385
S'C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(O)1)'
p10386
sS'CPD-6742'
p10387
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)1)'
p10388
sS'CPD-6745'
p10389
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(O)1)'
p10390
sS'CPD-6744'
p10391
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)1)'
p10392
sS'CPD-6747'
p10393
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p10394
sS'CPD-6746'
p10395
S'C1(O)(C(O)C(O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p10396
sS'ALPHA-AMINOPHENYL-GLYOXYLATE'
p10397
S'C1(C=CC(N)=C(C=1)C(=O)C(=O)[O-])'
p10398
sS'CPD-8966'
p10399
S'CCOP(OC1(C=CC(=CC=1)S(C)=O))(OCC)=S'
p10400
sS'CPD-8965'
p10401
S'CCOP(OC1(C=C(N=C(N=1)C(C)C)C))(OCC)=S'
p10402
sS'CPD-8964'
p10403
S'CCOP(OC2(=CC=C1(C(OC(C(=C1C)Cl)=O)=C2)))(OCC)=S'
p10404
sS'ISATIN'
p10405
S'C1(C=CC2(NC(=O)C(=O)C(C=1)=2))'
p10406
sS'CPD-8962'
p10407
S'COC1(=CC(=CC(OC)=C(OC)1)C2([CH]5(C(=O)OC[CH](C(O)C4(=C2C=C3(C(OCO3)=C(OC)4)))5)))'
p10408
sS'CPD-8961'
p10409
S'COC1(=CC(=CC(OC)=C(OC)1)C2([CH]5(C(=O)OC[CH](CC4(=C2C=C3(C(OCO3)=C(OC)4)))5)))'
p10410
sS'NBS2'
p10411
S'[Nb](=S)=S'
p10412
sS'CPD-14353'
p10413
S'CC1(=C(C(=O)[O-])C(=CC2(=CC3(C(C(O)=C12)=C(C4(=C(O)C=C(C=C(C=3)4)O))O)))O)'
p10414
sS'CPD-8968'
p10415
S'COP(=S)(OC)OC1(=CC=C(C#N)C=C1)'
p10416
sS'SOLANESYL-PYROPHOSPHATE'
p10417
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p10418
sS'UDP-D-GALACTOSAMINE'
p10419
S'C1(N(C(NC(C=1)=O)=O)C2(OC(C(C2O)O)COP(OP(OC3(C(C(C(C(O3)CO)O)O)[N+]))(=O)[O-])(=O)[O-]))'
p10420
sS'CPD-8048'
p10421
S'COC1(C(C(C(C(C1O)O)O)O)OC2(OC(C(C(C2O)O)O)CO))'
p10422
sS'ADIPATE'
p10423
S'C(CC([O-])=O)CCC(=O)[O-]'
p10424
sS'CPD-12459'
p10425
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p10426
sS'CPD-12451'
p10427
S'CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CC(O)C(C)23)4))))'
p10428
sS'CPD0-1636'
p10429
S'C(=O)([O-])C(N)C(F)(F)F'
p10430
sS'CPD0-1635'
p10431
S'C(OP([O-])(=O)[O-])C3(C(O)C(O)C(C2(=NNC1(C(N)=NC=NC=12)))O3)'
p10432
sS'CPD-15332'
p10433
S'C12(N=C(O)NC=1C(O)=NC(O)=N2)'
p10434
sS'CPD0-1633'
p10435
S'C2(C=C(O)C1(N(=O)=CC=CC=1C=2))'
p10436
sS'CPD-12454'
p10437
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)OC)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10438
sS'CPD0-1631'
p10439
S'C3(N=C(N)C2(N=CN(C1(OC(=CC(CCC(C(=O)[O-])[N+])[N+])C(O)C(O)1))C=2N=3))'
p10440
sS'CPD-12456'
p10441
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p10442
sS'NARINGENIN-CMPD'
p10443
S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p10444
sS'CPD-518'
p10445
S'CCCCCCCCCCCCCC=CC(C([N+])COC1(OC(C(C(O)C(O)1)O)COS(=O)([O-])=O))O'
p10446
sS'COPROPORPHYRIN_I'
p10447
S'CC1(C2(=CC5(C(CCC([O-])=O)=C(C)C(=CC4(=C(CCC([O-])=O)C(C)=C(C=C3(C(CCC([O-])=O)=C(C)C(C=C(C(CCC([O-])=O)=1)N2)=N3))N4))N=5)))'
p10448
sS'CPD-514'
p10449
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p10450
sS'CPD-517'
p10451
S'CC12(CCC(C=C1CCC3(C2C(CC4(C3CCC4(C(COS(=O)([O-])=O)=O)O)C)O))=O)'
p10452
sS'CPD-511'
p10453
S'CC(C(O)C(=O)NCCC(NCCS)=O)(C)CO'
p10454
sS'CPD-510'
p10455
S'C(C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O))([O-])=O'
p10456
sS'CPD-513'
p10457
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p10458
sS'CPD-512'
p10459
S'CC1(OC(C(C1(C=O)O)OC2(C(C(C(C(O2)CO)O)OP(=O)([O-])[O-])[N+]C))OC3(C(C(C(C(C3O)O)NC(N)=[N+])O)NC(N)=[N+]))'
p10460
sS'3-PYRIDYLACETIC-ACID'
p10461
S'C1(N=CC=CC=1CC(=O)[O-])'
p10462
sS'OROTATE'
p10463
S'C1(=C(C([O-])=O)NC(NC(=O)1)=O)'
p10464
sS'PROPENE'
p10465
S'C=CC'
p10466
sS'CPD-14930'
p10467
S'COC1(=C(OC2(C=C(O)C=C(O)C(C(=O)1)=2))C3(=CC(O)=C(O)C(O)=C3))'
p10468
sS'CPD0-1759'
p10469
S'CCCC(CCC)C(=O)OCC(OC(C(CCC)CCC)=O)CO'
p10470
sS'CPD-9188'
p10471
S'C2(=CC=C1(C(C(=O)C(O)(O)C(=O)1)=C2))'
p10472
sS'CPD-9189'
p10473
S'C(C(C([O-])=O)OC1(C(C(C(C(O1)CO)O)O)O))OP([O-])([O-])=O'
p10474
sS'CPD-9182'
p10475
S'CC(C)CCCCCC(=O)NCC1(C=C(OC)C(O)=CC=1)'
p10476
sS'CPD-9183'
p10477
S'CCCCCCCCC(NCC1(C=CC(=C(C=1)OC)O))=O'
p10478
sS'CPD-9180'
p10479
S'CCCCCCCC(NCC1(C=CC(=C(C=1)OC)O))=O'
p10480
sS'CPD-9181'
p10481
S'CC(C)=CCCCCC(=O)NCC1(C=C(OC)C(O)=CC=1)'
p10482
sS'CPD-9187'
p10483
S'C(C3(C(C(C(N2(C1(=C(C(NC=N1)=O)N=C2)))O3)O)O))OP(OP(OC4(C(C(C(C(O4)CO)O)O)O))([O-])=O)([O-])=O'
p10484
sS'CPD-9185'
p10485
S'CC(CCCCCCC(=O)NCC1(C=C(OC)C(O)=CC=1))C'
p10486
sS'XANTHINE'
p10487
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p10488
sS'CPD-16596'
p10489
S'CC%10(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C9(C(C=3)=C([O-])C=C(OC8(OC(COC(=O)C=CC7(C=CC(OC6(OC(COC(=O)C=CC5(C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C(O)C=5))C(O)C(O)C(O)6))=C(O)C=7))C(O)C(O)C(O)8))C=9))))O%10)'
p10490
sS'CPD-601'
p10491
S'C1(=NC(C3(=C([N-]1)N(C2(C(C(C(O2)CSCCC([N+])C([O-])=O)O)O))C=N3))=O)'
p10492
sS'CPD-16738'
p10493
S'CC(C)=CCCC1(C)([CH](O)CCC2(C)([CH]1CC[CH]3(C(C)2C4(=C(C3)C5(=C(N4)C=CC=C5)))))'
p10494
sS'CPD-16731'
p10495
S'C=CC3(CCC4(C12(CCC(OC1)(C5(C2C(C=C(C3)4)OC5=O)C)O)))C'
p10496
sS'CPD-16732'
p10497
S'CC1(=CC(=O)C2(OC(C(=O)1)2))'
p10498
sS'CPD-16735'
p10499
S'C=C4(C3(CCC2(C1(C(O)OC(=O)C(C1CCC2(C3)C(O)4)(C)C)C)))'
p10500
sS'CPD-16736'
p10501
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C1(C=CC=CC=1NC=2))'
p10502
sS'CPD-16737'
p10503
S'CC(C)=CCCC1(OC1CCC(C)=CCCC(C)=CCC3(C2(C=CC=CC=2NC=3)))(C)'
p10504
sS'CPD-12028'
p10505
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(C)C(O)C(O)C(O)1))C(O)C(NC(C)=O)2)'
p10506
sS'CPD-12029'
p10507
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC3(OC(CO)C(OC2(OC(C)C(OC1(C(O)C(O)C(C(O)CO)O1))C(O)C(O)2))C(O)C(NC(C)=O)3)'
p10508
sS'TETRAHYDROPALMATINE'
p10509
S'C2(CC1(C=C(OC)C(=CC=1[CH]3(CC4(=CC=C(OC)C(OC)=C(CN23)4)))OC))'
p10510
sS'CPD-9768'
p10511
S'CCCCCCCCCCCCCC=CC(=O)[O-]'
p10512
sS'CPD-9769'
p10513
S'CCC(CCCCCCCCCCCCCCCCCCCCCCCO)C'
p10514
sS'CPD-12020'
p10515
S'COC2(C=CC1(=C(C(CC(O)=O)=CN1)C=2))'
p10516
sS'CPD-12021'
p10517
S'COC2(C=CC1(=C(C(CCO)=CN1)C=2))'
p10518
sS'CROTONATE'
p10519
S'CC=CC(=O)[O-]'
p10520
sS'CPD-9765'
p10521
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC'
p10522
sS'CPD-12024'
p10523
S'C[Se]CC([N+])C([O-])=O'
p10524
sS'CPD-12025'
p10525
S'C[Se+](C)CCC([N+])C(=O)[O-]'
p10526
sS'8-THIO-OCTANOATE'
p10527
S'C(CCCS)CCCC(=O)[O-]'
p10528
sS'CPD-13352'
p10529
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP(OC5(OCC([N+])C(O)C(O)5))([O-])=O))'
p10530
sS'CPD-12955'
p10531
S'CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(CC([O-])=O)=O'
p10532
sS'CPD-8586'
p10533
S'C(OP(=O)([O-])OP(=O)(O[an'
p10534
sS'CPD-8583'
p10535
S'CCCCCCCCCCCCCCCC(OCC(C(=O)[a'
p10536
sS'CPD-763'
p10537
S'[As](O)([O-])O'
p10538
sS'CPD-8458'
p10539
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p10540
sS'DIHYDROXYACETONE'
p10541
S'C(C(CO)=O)O'
p10542
sS'CPDQT-428'
p10543
S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p10544
sS'CPD-807'
p10545
S'CCNC1(N=C(N=C(N=1)O)O)'
p10546
sS'CPD-101'
p10547
S'C1(OCCCCC1)=O'
p10548
sS'2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI'
p10549
S'C(=O)([O-])C(=C(C([O-])=O)N)C=C[CH]=O'
p10550
sS'N-ACETYLARYLAMINE'
p10551
S'CC(=O)NC1(C=CC=CC=1)'
p10552
sS'CPD-374'
p10553
S'CC(O)C(=O)C1(CNC2(N=C(N)NC(=O)C(N=1)=2))'
p10554
sS'CPDQT-420'
p10555
S'CSCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10556
sS'CPDQT-421'
p10557
S'C=CC(O)CC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10558
sS'CPDQT-422'
p10559
S'C=CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10560
sS'CPDQT-423'
p10561
S'COC(=O)C1(C2(=C(NC=1)C=CC=C2))'
p10562
sS'CPDQT-424'
p10563
S'C4(=CC=C3(NC=C(CC1(=CNC2(=C1C=CC=C2)))C3=C4))'
p10564
sS'CPD-805'
p10565
S'CCNC1(N=C(N=C(N=1)N)Cl)'
p10566
sS'CPDQT-426'
p10567
S'C3(NC4(C(C(CC2(O)(C(=O)O[CH]1(C(O)COC(O)12)))=3)=CC=CC=4))'
p10568
sS'CPDQT-427'
p10569
S'C(C1(=CNC2(=C1C=CC=C2)))SCC(N)C(=O)O'
p10570
sS'CPD-376'
p10571
S'CC([CH]=O)(C)C(O)C([O-])=O'
p10572
sS'CPD-803'
p10573
S'CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1O)O)O)CO)'
p10574
sS'CPD-370'
p10575
S'CC(NC(C(C(C(CO)O)O)O)C([O-])=O)=O'
p10576
sS'CPD-801'
p10577
S'CC(NC1(N=C(N)N=C(N=1)Cl))C'
p10578
sS'910-EPOXY-18-HYDROXYSTEARATE'
p10579
S'C(CCCCCCCC1(C(CCCCCCCC(=O)[O-])O1))O'
p10580
sS'4-HYDROPEROXYOCTADECA-T-2-NONENAL'
p10581
S'CCCCCC(OO)C=CC=O'
p10582
sS'CPD-14479'
p10583
S'C=C1(C(CC(O)C2(C)(C(C(C3(=C(C)C(CC(C(O)C12)C(C)(C)3)OC(C)=O))OC(C)=O)OC(C)=O))OC(C)=O)'
p10584
sS'COB-I-ALAMIN'
p10585
S'CC%10(=C(C)C=C9(N8(C%12(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C)(C(CC(N)=O)[CH]%11(C7(C)(C(C)(CC(N)=O)C(CCC(=O)N)C6(C(C)=C5(C(CC(=O)N)(C)C(CCC(N)=O)C4(C=C3(C(C)(C)C(CCC(N)=O)C2(C(C)=C1N([Co----]([N+]=23)([N+]=45)([N+]=67)[N+](=C8)C9=C%10)%11)))))))))C(O)%12))))'
p10586
sS'CPD-625'
p10587
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(CCCCC1)O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p10588
sS'CPD-17179'
p10589
S'C(NC(=O)CCC([N+])C(=O)[O-])CC1(C=CC(O)=CC=1)'
p10590
sS'CPD-17178'
p10591
S'C(NC(=[N+])N)C(O)CC(O)(C(=O)[O-])C2(C(NC(=O)C([N+])CO)C=CC(N1(C(=O)N=C(N)C(CO)=C1))O2)'
p10592
sS'CPD-15300'
p10593
S'C(=[N+]1(C2(C(CC1C([O-])=O)=CC(=C(O)C=2)OC3(OC(C(O)C(O)C(O)3)COC(=O)C=CC4(=CC=C(O)C=C4)))))C=C5(C=C(C([O-])=O)[N+]C(C([O-])=O)C5)'
p10594
sS'CPD-10786'
p10595
S'CCCCCCCCCC(=O)C(O)CC'
p10596
sS'CPD-17171'
p10597
S'C(NC(N)=[N+])CC([N+])CC(=O)[O-]'
p10598
sS'CPD-17170'
p10599
S'C(CC([N+])CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2)))NC(=[N+])N'
p10600
sS'CPD-17173'
p10601
S'CC(=O)NC(CCN(C)C(=[N+])N)CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2))'
p10602
sS'CPD-17174'
p10603
S'CN3(C(N)=[N+]C(CC(NC2(C=CC(N1(C(N=C(C=C1)N)=O))OC(C(=O)[O-])2))=O)CC3)'
p10604
sS'CPD-17176'
p10605
S'C2(=CC(N)=NC(N(C1(OCC(O)C(O)C(O)1))2)=O)'
p10606
sS'CPD-3441'
p10607
S'COC1(=CC(=C(C=C1)C2(C(C3(=CC=C(C=C(OC2)3)O))O))O)'
p10608
sS'CPD-10784'
p10609
S'CCCC(=O)NC1(CCOC(=O)1)'
p10610
sS'CPD-153'
p10611
S'C(=O)([O-])CCCC(C([O-])=O)=CC(=O)[O-]'
p10612
sS'CPD-620'
p10613
S'CCC(CC([O-])=O)(C([O-])=O)O'
p10614
sS'CPD-10778'
p10615
S'[B-](O)(O)(O)O'
p10616
sS'CPD-10779'
p10617
S'CCCCSCC1(C(C)C[N+](C1)CC2(=CNC3(=C2N=CN=C(N)3)))'
p10618
sS'CPD-10776'
p10619
S'CC1(O)(OCC(O)C(O)(O)1)'
p10620
sS'CPD-10777'
p10621
S'CC12(O[B-](O)(O)OC(O)1C(O)CO2)'
p10622
sS'CPD-10775'
p10623
S'CC1(O)(OCC(O)C(=O)1)'
p10624
sS'CPD-10770'
p10625
S'CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(O)C(O)C(COP([O-])(=O)[O-])O3))O)O)O)C=C4)'
p10626
sS'CPD-10771'
p10627
S'CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(O)C(O)C(COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])O3))O)O)O)C=C4)'
p10628
sS'CPD-18880'
p10629
S'CCC5(=C(C=O)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p10630
sS'CPD-18553'
p10631
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C)=CC3)))'
p10632
sS'CPD-14671'
p10633
S'CC(C)CCC1(OC1(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(O)CCC(C)2[CH]3CCC(C)45)))))'
p10634
sS'CPD-18883'
p10635
S'CC(=O)C1(C=CC=NC=1)'
p10636
sS'CPD-18556'
p10637
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C([O-])=O)=CC3)))'
p10638
sS'CPD-14676'
p10639
S'CC2(C=CC=CC=C(C)C(OC)C[CH]4(CCC(C)C(O)(C(=O)C(N1(CCCC[CH]1C(=O)O[CH](CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)C2)C(C)C[CH]3(CC(OC)C(O)CC3)))=O)O4))'
p10640
sS'CPD-11827'
p10641
S'CCC(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)CC(C(CC2)3)4)O)O)C))(C)))C)O)O)C(C)C'
p10642
sS'CPD-18887'
p10643
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)O)=C(N78)C=9))))))'
p10644
sS'CPD-18888'
p10645
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p10646
sS'CPD-11828'
p10647
S'CCC(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)CC(C(CC2)3)4)O)O)C))(C)))C)OS(=O)([O-])=O)O)C(C)C'
p10648
sS'CPD-18558'
p10649
S'CN3(C(=O)CNC(=O)C(NC(=O)C2(N=C1(C=CC=CC1=CC(O)=2)))CSC(=O)C(CSC)N(C)C(=O)C(CS)N(C)C(=O)CNC(=O)C(CSC(=O)C(CSC)N(C)C(=O)C3CS)NC(=O)C5(=NC4(=CC=CC=C4C=C(O)5)))'
p10650
sS'CPD-14678'
p10651
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C([N+])C3)))'
p10652
sS'CPD-14853'
p10653
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=C3)OC))'
p10654
sS'CPD-14852'
p10655
S'COC1(=CC(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C=C(OC)C=3)))'
p10656
sS'CPD-14851'
p10657
S'CC(C=CC=C(C)C=CC1(C(C)=CC(O)CC(C)(C)1))=CC=CC=C(C)C=CC=C(CO)C=CC2(=C(C)CC(O)CC(C)(C)2)'
p10658
sS'CPD-158'
p10659
S'C1(=CC(=C(C=C1[N+]([O-])=O)O)O)'
p10660
sS'PYRIDOXAMINE-5P'
p10661
S'CC1(C(=C(C(COP([O-])([O-])=O)=CN=1)C[N+])O)'
p10662
sS'2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE'
p10663
S'CC(O)(CO)C(O)COP([O-])([O-])=O'
p10664
sS'CPD-13081'
p10665
S'CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C7(C(C)5CCC(OC6(OC(CO)C(O)C(O)C(O)6))C7))))))'
p10666
sS'CPD-13080'
p10667
S'CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))'
p10668
sS'CPD0-1762'
p10669
S'CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)C(O)C'
p10670
sS'CPD-13085'
p10671
S'C([O-])(=O)C1(=CC(=O)C(O)C(=O)C1)'
p10672
sS'CPD-13084'
p10673
S'CC(C)C(C)C=CC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2[CH]3CCC(C)45))))'
p10674
sS'CPD-13087'
p10675
S'CC(O)CCCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p10676
sS'CPD-13086'
p10677
S'CCCCCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p10678
sS'CPD-13089'
p10679
S'CCC=CCC=CCC1(OC1CCCCCCCC(=O)[O-])'
p10680
sS'CPD-13088'
p10681
S'CCCCCC2(OC(CC1(OC(CCCCCCCC(=O)[O-])1))2)'
p10682
sS'GERANYLGERANYL-PP'
p10683
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p10684
sS'CPD-18776'
p10685
S'COC1(C(=O)CC(CO)(O)CC(O)=1)'
p10686
sS'CPD-18777'
p10687
S'COC1(=C(NCC([O-])=O)CC(CO)(O)CC(=O)1)'
p10688
sS'3-P-HYDROXYPYRUVATE'
p10689
S'C(OP([O-])(=O)[O-])C(=O)C(=O)[O-]'
p10690
sS'CPD-18772'
p10691
S'COC1(C(=O)CC(CO)(O)C(O)C(O)=1)'
p10692
sS'CPD-18773'
p10693
S'C(O)C1(O)(CC(=O)C(O)=C(O)C1)'
p10694
sS'+-bornyl-diphosphate'
p10695
S'CC2(C1(C)(CCC(CC(OP(OP([O-])([O-])=O)([O-])=O)1)2))C'
p10696
sS'2-CHLOROMALEYLACETATE'
p10697
S'C([O-])(=O)C(Cl)=CC(=O)CC(=O)[O-]'
p10698
sS'CPD-18778'
p10699
S'COC1(=C(NCC([O-])=O)CC(CO)(O)CC(=NC(C([O-])=O)CO)1)'
p10700
sS'CPD-18779'
p10701
S'COC1(=C(O)CC(CO)(O)CC(=O)1)'
p10702
sS'RIBOSE-1-ARSENATE'
p10703
S'C(O)C1(C(O)C(O)C(O[As]([O-])(=O)[O-])O1)'
p10704
sS'CPD-16628'
p10705
S'CC(CCCC(C)CCCC(C)CO)CCCC(C)=CCC2(=C(C(=O)C1(C=CC=CC=1C2=O))C)'
p10706
sS'CPD-10198'
p10707
S'CC1(C(=O)C([O-])=C(C)O1)'
p10708
sS'CPD0-1533'
p10709
S'C(CC([N+])C(=O)[O-])C(F)C([N+])C(=O)[O-]'
p10710
sS'CPD-9674'
p10711
S'C(C([O-])=O)(Cl)Cl'
p10712
sS'CPD-10194'
p10713
S'CC(=O)NCCCCC[N+]'
p10714
sS'CPD-9675'
p10715
S'C(C([O-])=O)(Cl)(Cl)Cl'
p10716
sS'CPD0-1536'
p10717
S'C(=O)([O-])C([N+])CCC(O)C([N+])C(=O)[O-]'
p10718
sS'CPD-13232'
p10719
S'C1(=C(C=CC(=C1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)OC4(C(C(C(C(CO)O4)O)O)O))O)O))O)O))[N+]([O-])=O)'
p10720
sS'PHOSPHATE-GROUP'
p10721
S'[O-]P([O-])([O-])=O'
p10722
sS'2-PHOSPHONO-3-SULFOPROPRIONATE'
p10723
S'C(C(=O)[O-])(P(=O)([O-])O)S(=O)(=O)[O-]'
p10724
sS'1-RADYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOLIP'
p10725
S'CC(=O)OC(CO[R1])COP(=O)([O-])O[R2]'
p10726
sS'CPD1F-4'
p10727
S'CC(=CC=CC=C(C)C=O)C=CC=C(C)C=C=C1(C(O)(C)CC(O)CC(C)(C)1)'
p10728
sS'CPD-15102'
p10729
S'CCCCCCCCCCCCCC([CH]=O)C'
p10730
sS'CPD-15100'
p10731
S'CC([R])C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10732
sS'CPD-15101'
p10733
S'CCCCCCCCCCCCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10734
sS'CPD-15106'
p10735
S'C(C4(OC(OC2(=C(C1(=CC(O)=C(O)C=C1))OC3(=CC(O)=CC(=C(C2=O)3)O)))C(C(O)C4O)OC5(C(C(C(O)C(O5)CO)O)O)))O'
p10736
sS'CPD-15104'
p10737
S'CCC(O)(C)C(=O)C(=O)[O-]'
p10738
sS'CPD-15105'
p10739
S'C(C4(OC(OC2(=C(C1(C=CC(O)=CC=1))OC3(=CC([O-])=CC(=C(C2=O)3)O)))C(C(O)C4O)OC5(C(C(C(O)C(O5)CO)O)O)))O'
p10740
sS'CPD-15109'
p10741
S'COC4(=C(O)C2(C(=O)C=C(C1(C=CC=CC=1))OC=2C=C(OC3(OC(C(=O)[O-])C(O)C(O)C(O)3))4))'
p10742
sS'CPD-15293'
p10743
S'CCC([O-])=C1(C(=O)CC(C([O-])=O)CC(=O)1)'
p10744
sS'CPD-15290'
p10745
S'C(O)C1(C(C(O)C(O)C(O1)OC2(C=C([O-])C5(=C(C=2)[O+]=C(C3(C=C(C(O)=C(O)C=3)O))C(OC4(C(O)C(C(O)C(CO)O4)O))=C5)))O)'
p10746
sS'CPD-18088'
p10747
S'C1(C(=CC=CN1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)'
p10748
sS'CPD-18089'
p10749
S'C(C1(=CC=C(C=C1Cl)Cl))(=O)[O-]'
p10750
sS'CPD-9978'
p10751
S'CC(CCC=C([CH]=O)C)=C[CH]=O'
p10752
sS'CPD-18080'
p10753
S'C2(N(O)C1(C=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p10754
sS'CPD-9972'
p10755
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])[O-])([O-])=O)C)C)C)C)C)C)C)C)C)C)C)C)C'
p10756
sS'CPD-9971'
p10757
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C)C)C'
p10758
sS'CPD-9970'
p10759
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C)C'
p10760
sS'CPD-18084'
p10761
S'C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(C=C5)C(=O)N)'
p10762
sS'CPD-9976'
p10763
S'CC(CCC=C([CH]=O)C)=CCO'
p10764
sS'CPD-18087'
p10765
S'C1(=C(C=CCN1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)'
p10766
sS'CPD-12598'
p10767
S'CCCCN[CH]=O'
p10768
sS'CPD-12599'
p10769
S'[C-]#[N+]C2(=CC1(C=CC=CC=1C=C2))'
p10770
sS'CPD-15294'
p10771
S'C6(C(C2(=[O+]C1(C=C(C=C4(C=1C=C2OC3(C(C(C(O)C(O3)COC(CC(O)C(=O)OCC5(C(O)C(O)C(O)C(O4)O5))=O)O)O)))O)))=CC=C(C=6)O)'
p10772
sS'CPD-12590'
p10773
S'C(NC(=O)CCC(=O)C(=O)[O-])CNC(=O)CC(O)(C([O-])=O)CC(=O)NCC([N+])C(=O)[O-]'
p10774
sS'CPD-12591'
p10775
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCSCC([N+])C([O-])=O'
p10776
sS'CPD-12592'
p10777
S'CC(C)=CCCC(C)=CCCC(C)=CCSCC(NC(C)=O)C(=O)[O-]'
p10778
sS'CPD-12594'
p10779
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])[O-]'
p10780
sS'CPD-12596'
p10781
S'[C-]#[N+]CC1(C=CC=CC=1)'
p10782
sS'CPD-12846'
p10783
S'CCC=CCCOC(=O)C'
p10784
sS'CPD-12847'
p10785
S'C[N+]2(C1(=C(C(O)=CC=C1)N=C3(C=2C=CC=C3)))'
p10786
sS'CPD-12845'
p10787
S'CC4(C(OC(CC([N+])C1(C=CC=CC=1))=O)CC3(O)(C(OC(C2(C=CC=CC=2))=O)[CH]5(C(C)(C(=O)C(OC(C)=O)C(C(C)(C)3)=4)C(O)CC6(OCC(OC(=O)C)56))))'
p10788
sS'CPD-12843'
p10789
S'C4([N+]CCN(C3(C=C2(N(C1(CC1))C=C(C([O-])=O)C(=O)C2=CC(F)=3)))C4)'
p10790
sS'CPD-12841'
p10791
S'C2(C=CC1(NC(O)C=C(O)C=1C=2))'
p10792
sS'CPD-18215'
p10793
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(C(C4(C(C)(C(C)(O2)O3)O4))O))'
p10794
sS'N1-METHYLADENINE'
p10795
S'CN2(C=NC1(C(N=CN=1)=C(N)2))'
p10796
sS'S-NITROSOGLUTATHIONE'
p10797
S'C(SN=O)C(C(NCC([O-])=O)=O)NC(=O)CCC(C([O-])=O)[N+]'
p10798
sS'HYPOXANTHINE'
p10799
S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p10800
sS'CPD-7602'
p10801
S'C(O)C(O)C(O)C(O)CN3(C1(C(C(=O)[N-]C(=O)N=1)=CC2(=CC=C(O)C=C23)))'
p10802
sS'CPD-7601'
p10803
S'CC(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)C(=O)[O-]'
p10804
sS'CPD-7600'
p10805
S'CC=CC=O'
p10806
sS'CPD-7607'
p10807
S'CC(C(=O)NC(C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(C(C(=O)[N-]C(=O)N=1)=CC2(=CC=C(O)C=C23)))'
p10808
sS'CPD-7606'
p10809
S'CC(OP(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)(=O)[O-])C(=O)[O-]'
p10810
sS'ALL-TRANS-HEXAPRENYL-DIPHOSPHATE'
p10811
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p10812
sS'CPD-7609'
p10813
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(C)C)O)C))))C'
p10814
sS'CPD-7608'
p10815
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(CO)C)O)C))))C'
p10816
sS'CPD-8454'
p10817
S'CCCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p10818
sS'CA+2'
p10819
S'[Ca++]'
p10820
sS'CPD-14952'
p10821
S'COC1(C=CC(=CC=1)C2(OC3(C(C(=O)C(OC)=2)=C(O)C=C(O)C=3)))'
p10822
sS'CPD-6302'
p10823
S'CC(C)CC(C(CCl)=O)NS(=O)(=O)C1(C=CC(C)=CC=1)'
p10824
sS'CPD-14226'
p10825
S'C(CC([N+])C(=O)[O-])C(O)C[N+]'
p10826
sS'CPD-3944'
p10827
S'COC5(C=CC4(C1(C(C2(=C(O1)C=C3(OCOC(=C2)3)))(O)COC=4C=5)))'
p10828
sS'CPD-3945'
p10829
S'CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p10830
sS'CPD-3946'
p10831
S'CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p10832
sS'CPD-14951'
p10833
S'COC1(C=CC(=CC=1)C2(OC3(C(C(=O)C(O)=2)=C(O)C=C(OC)C=3)))'
p10834
sS'CPD-3941'
p10835
S'CC(C(CCC(C2(C3(CCC4(C1(CCC(CC1=CCC(C(CC2)3)4)=O)C))(C)))C)C)C'
p10836
sS'CPD-3942'
p10837
S'C4(OC5(=CC1(=C(C2(C(O1)C3(C=CC(O)=CC(OC2)=3))(O))C=C(O4)5)))'
p10838
sS'CREPENYNATE'
p10839
S'CCCCCC#CCC=CCCCCCCCC(=O)[O-]'
p10840
sS'FERRIC-ENTEROBACTIN-COMPLEX'
p10841
S'C5(OC(C4(NC(C8(C9(O[Fe---]237(OC6(C(=C(C(NC(C(=O)OCC(NC(=O)C1(C(=C(C=CC=1)O2)O3))C(=O)OC4)5)=O)C=CC=6)O7))OC(C=CC=8)=9)))=O))=O)'
p10842
sS'25-DDOL'
p10843
S'C1(=C(Cl)C(C=C(Cl)C(O)1)O)'
p10844
sS'NEUROSPORENE'
p10845
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p10846
sS'AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE'
p10847
S'C(O)C2(=NC1(C(=O)NC(N)=NC=1NC2))'
p10848
sS'3-PYRIDINESULFONIC-ACID'
p10849
S'C1(=NC=CC=C(S(=O)(=O)[O-])1)'
p10850
sS'DIHYDROSIROHYDROCHLORIN'
p10851
S'CC5(CC(=O)[O-])(C(C4(=CC1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=N3)C=C([N+]4)5)))))CCC(=O)[O-])'
p10852
sS'CPD-10254'
p10853
S'CCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10854
sS'12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE'
p10855
S'COC3(=CC(C=CC(OC2(C(OC(C=CC1(=CC(OC)=C(C(OC)=C1)O))=O)OC(CO)C(C2O)O))=O)=CC(OC)=C(O)3)'
p10856
sS'ACROLEIN'
p10857
S'C=C[CH]=O'
p10858
sS'NITRIC-OXIDE'
p10859
S'N=O'
p10860
sS'CPD-13649'
p10861
S'CCCCCC=CC=CC(O)CCCCCCCC(=O)[O-]'
p10862
sS'INDOLEYL-CPD'
p10863
S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p10864
sS'CPD-13647'
p10865
S'CCCCCC(O)=CC(=O)C=CC1(C=CC(O)=CC=1)'
p10866
sS'CPD-13646'
p10867
S'CCCCCC=CC(=O)CCC1(C=C(OC)C(O)=CC=1)'
p10868
sS'CPD-13645'
p10869
S'CCCCCC(=O)C=C(O)C=CC1(C=C(OC)C(O)=CC=1)'
p10870
sS'CPD-13644'
p10871
S'CC(=O)NCCCC(C(=O)[O-])[N+]'
p10872
sS'PROPANE-1-2-DIOL'
p10873
S'CC(CO)O'
p10874
sS'SALUTARIDINE'
p10875
S'C3([N+](C1(C4(C(C2(=C(C1)C=CC(=C2O)OC))(C3)C=C(C(C=4)=O)OC)))C)'
p10876
sS'CPD-19021'
p10877
S'CCCCCCCCCCCC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O'
p10878
sS'CPD-19020'
p10879
S'CCCCCCCCCC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O'
p10880
sS'CPD-19023'
p10881
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(OC(=O)C(C)C)2)O)CO))=O)C'
p10882
sS'CPD-19022'
p10883
S'C=CF'
p10884
sS'CPD-19025'
p10885
S'CCC(C)C(OC2(C(C(OC1(OC(CO)C(C(O)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p10886
sS'CPD-19024'
p10887
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(OC(=O)CC(C)C)2)O)CO))=O)C'
p10888
sS'CPD-19027'
p10889
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(O)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p10890
sS'CPD-19026'
p10891
S'CCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(O)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p10892
sS'CPD-19029'
p10893
S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)C'
p10894
sS'CPD-19028'
p10895
S'C=CC1(C)(OC1)'
p10896
sS'SEDOHEPTULOSE'
p10897
S'C(O)C(O)C(O)C(O)C(O)C(=O)CO'
p10898
sS'CPD-9517'
p10899
S'C=C(OC1(C=CC=C(C1[N+])C(=O)[O-]))C(=O)[O-]'
p10900
sS'CPD-17342'
p10901
S'CC6(OC(=O)C=CC4(C)([CH](CCC35(CC2(C)(C[CH]1(C(COC(=O)1)(C(C)(C(=O)2)C[CH]34)5))))6))(C)'
p10902
sS'CPD-17343'
p10903
S'C=C4([CH]1(C(=O)C6(CC2([CH]1C3(C)([CH](CC2)C(OC(=O)C=C3)(C)C))(C54([CH](C(=O)OC5)C6)))(C)))'
p10904
sS'CPD-17340'
p10905
S'CC(=O)OC2(C4(CC35([CH](CC(C)(C1([CH](C(=O)OC1)2)3)C(=O)4)C6(C)([CH](CC5)C(OC(=O)C=C6)(C)C)))(C))'
p10906
sS'CPD-17617'
p10907
S'CCCCCCCCCCCCCCCC(OP([O-])(=O)[O-])=O'
p10908
sS'CPD-17346'
p10909
S'CCCCCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10910
sS'CPD-8179'
p10911
S'C1(=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])'
p10912
sS'CPD-17612'
p10913
S'CCCCCCCC=CC=CCCC=CC(O)C([N+])CO'
p10914
sS'CPD66-58'
p10915
S'CCC(O)C=CC=CCC=CCC=CC=CC(O)CCCC(=O)[O-]'
p10916
sS'CPD-3614'
p10917
S'C1(OC2(CO)(OC1C(O)C(O)C(O)2))'
p10918
sS'CPD-3615'
p10919
S'CC(=O)NC(CO)C(O)C(O)C(O)CO'
p10920
sS'CPD66-55'
p10921
S'CCCCCC(O)C=CC=CCC=CCC=CCCCC(=O)[O-]'
p10922
sS'CPD-3617'
p10923
S'CCCCCCCCCC(=O)[O-]'
p10924
sS'CPD-3610'
p10925
S'COC1(C(O)C(O)OC(CO)C(O)1)'
p10926
sS'CPD-8171'
p10927
S'CCCCCCCCCCCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p10928
sS'CPD-3613'
p10929
S'COC1(C(C(C(CO1)O)O)O)'
p10930
sS'CPD-13504'
p10931
S'C1(C=C(CO)[CH]2([N+]1CCC(O)2))'
p10932
sS'CPD-13505'
p10933
S'I(=O)([O-])=O'
p10934
sS'CPD-13501'
p10935
S'C(=S)([S-])N'
p10936
sS'CPD-13502'
p10937
S'C3(C=CC(C2(=C([O-])C(=O)C1(C(O)=CC(O)=CC=1O2)))=CC=3)'
p10938
sS'CPD-13503'
p10939
S'C3(C(C2(=C([O-])C(=O)C1(C=CC(O)=CC=1O2)))=CC(O)=C(O)C=3)'
p10940
sS'CPD1A0-6123'
p10941
S'CC3(C2(C(C1(C(=C(C=C(C=1C(C=2C[CH](CC(=O)[O-])O3)=O)O)C4(C=C(C5(=C(C=4O)C(C6(C(C)O[CH](CC(=O)[O-])CC(C5=O)=6))=O))O))O))=O))'
p10942
sS'CPD-13509'
p10943
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(=C(C2(=CC=C(O)C(O)=C2))OC4(C=C(C=C(O)C(C(=O)3)=4)[O-])))'
p10944
sS'12-DIHYDROSANTONIN'
p10945
S'CC3(C1(C(C2(C(CC1)(C=CC(=C2C)O)C))OC(=O)3))'
p10946
sS'CPD-12288'
p10947
S'C1(C=C(O)C(I)=CC(CC(C(=O)[O-])[N+])=1)'
p10948
sS'CPD-4824'
p10949
S'C(O)C1(OC(C(O)C([N+])C(O)1)OC3(C(C(OC2(C(O)C(O)C(O)C(CO)O2))C([N+])CC3[N+])O))'
p10950
sS'OXIDIZED-WATASEMIA-LUCIFERIN'
p10951
S'C3(N=C(NC(=O)CC1(=CC=C(C=C1)OS(=O)(=O)[O-]))C(CC2(C=CC=CC=2))=NC=3C4(=CC=C(C=C4)OS(=O)(=O)[O-]))'
p10952
sS'CPD-1541'
p10953
S'N(O)=NO'
p10954
sS'CPD-13371'
p10955
S'CC(C)=CCCC(C)=CC=CC(C)=O'
p10956
sS'CPD-9818'
p10957
S'CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCC=CCCCCCCCCC'
p10958
sS'CPD-9677'
p10959
S'C=C(COC1(OC(CO)C(O)C(O)C(O)1))C2(CC3(C(O2)=CC=C4(C=3OC5(C(C(O)4)C6(C(OC5)=CC(OC)=C(OC)C=6)))))'
p10960
sS'CPD-13370'
p10961
S'CC(=CC=CC=O)C=CC=O'
p10962
sS'ETHYL-2-METHYLACETOACETATE'
p10963
S'CCOC(=O)C(C)C(C)=O'
p10964
sS'CPD-8224'
p10965
S'C(Cl)(Cl)(Cl)F'
p10966
sS'CPD-9819'
p10967
S'CCCCCCCCCCCCCCCCCC(NC(C(CCCCC=CCCCCCCCCC)O)CO)=O'
p10968
sS'CPD-13377'
p10969
S'C8(C(C(C(C(OCC7(OC(OC3(C(O)C(O)C(OC(COC1(C(C(C(CO1)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))3)OC5(C(O)C(O)C(OC(COC4(C(C(C(CO4)O)O)O))5)OC6(C(O)C(O)C(O)OC(CO)6))))C(O)C(O)C(O)7))O8)O)O)O)'
p10970
sS'CPD-8412'
p10971
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p10972
sS'CPD-8390'
p10973
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p10974
sS'CPD-9533'
p10975
S'COC2(C(=CC3(OC[CH]4(OC1(C(=CC=C(C=1)O)C([CH](C(C=2)=3)4)=O))))OC)'
p10976
sS'CPD-8392'
p10977
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p10978
sS'CPD-8393'
p10979
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p10980
sS'CPD-8394'
p10981
S'CCCCCCCCC=CCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p10982
sS'CPD-8395'
p10983
S'CCCCCCCCC=CCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+])=O'
p10984
sS'CPD-8396'
p10985
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p10986
sS'CPD-8397'
p10987
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p10988
sS'CPD-8398'
p10989
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p10990
sS'CPD-8399'
p10991
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p10992
sS'CPD-9531'
p10993
S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))O)'
p10994
sS'6-CHQ'
p10995
S'C1(C(=CC(O)=C(O)C(Cl)=1)O)'
p10996
sS'CPD-9530'
p10997
S'COC1(C=CC(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p10998
sS'BUTYRYL-COA'
p10999
S'CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11000
sS'DIHYDROMACARPINE'
p11001
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(OC)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p11002
sS'QUERCETIN-33-BISSULFATE'
p11003
S'C3(C(C1(=C(C(=O)C2(C(O1)=CC(=CC(O)=2)[O-]))OS(=O)(=O)[O-]))=CC(=C(O)C=3)OS(=O)([O-])=O)'
p11004
sS'CPD-9536'
p11005
S'CC(CO)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p11006
sS'HIS'
p11007
S'C1(NC=NC=1CC(C(=O)[O-])[N+])'
p11008
sS'CPD-16698'
p11009
S'CNC(=O)N(C)C1(C(C([O-])=O)(O)N(C)C(=O)N=1)'
p11010
sS'CPD-16697'
p11011
S'CN2(C(=O)N(C)C(C1(O)(N(C)C(=O)N=C12))=O)'
p11012
sS'CPD-16694'
p11013
S'CC(CC=CC(C(O)C(C(O)CC2(OC(C)(C1(OC(C)(C(C)O)CC1))CC2))C)C)CC(C)C(O)=CC(=O)C(C)CC(C)CC(CCC([O-])=O)C'
p11014
sS'10-DEACETYLBACCATIN-III'
p11015
S'CC3(=C4(C(O)C(=O)C5(C)(C(O)CC1(OCC(OC(C)=O)1C(C(OC(=O)C2(C=CC=CC=2))C(O)(CC(O)3)C(C)(C)4)5))))'
p11016
sS'CPD-16690'
p11017
S'C=C4(C1(CC2(CCC3(C(C(O)CCC(C(CC1)2)3C)(C)C))C4))'
p11018
sS'CPD-14517'
p11019
S'CC5(CC(C)(C)[CH]4(CCC3(C)([CH](CC[CH]2(C(C)(CC[CH]1(C(C)(CCC(O)C(C)(C)1)2))3))C(C)4C5)))'
p11020
sS'CPD-8226'
p11021
S'CCC(C(C(C(C(C=C(CC(C1(C(CC)C(O1)=O))C)C)C)=O)C)O)C'
p11022
sS'CPD-12286'
p11023
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OP(=O)([O-])[O-])C3))OP([O-])([O-])=O))'
p11024
sS'13-DINITROBENZENE'
p11025
S'C1(C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])'
p11026
sS'CPD-12287'
p11027
S'Br'
p11028
sS'CPD3O-4151'
p11029
S'C1(C(=CC=C(C=1)O)CCO)'
p11030
sS'8-HYDROXYDEOXYGUANOSINE-5-TRIPHOSPHAT'
p11031
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C3(OC(N2(C(O)=NC1(C(=O)NC(N)=NC=12)))CC(O)3)'
p11032
sS'CPD-10347'
p11033
S'C(O)C1(OC(C(O)C(O)C(O)1)C4(=C(OC2(OC(CO)C(O)C(O)C(O)2))C=C3(OC(=CC(C3=C(O)4)=O)C5(C=CC(O)=CC=5))))'
p11034
sS'CPD-10345'
p11035
S'CC5(OC(OC1(C(O)C(O)C(CO)OC1C3(=C([O-])C=C2(OC(=CC(C2=C(O)3)=O)C4(C=CC(O)=CC=4)))))C(O)C(O)C(O)5)'
p11036
sS'CPD-10696'
p11037
S'C=C=CCNCCCCNCC=C=C'
p11038
sS'CPD-10343'
p11039
S'CC1(C(=O)C(C)=C(C)C(=O)C(C)=1)'
p11040
sS'CPD-10690'
p11041
S'CCNCCCNCCCNCCCNCC'
p11042
sS'CPD-10692'
p11043
S'CC(C)=CCCC(C)=CCCC(C)=CCS[an'
p11044
sS'CPD-10699'
p11045
S'C(C1(OC(C(C1O)O)NC(=[N+])NCCCC(C([O-])=O)[N+]))OP(OP(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))(=O)[O-])([O-])=O'
p11046
sS'512-DIHYDROXANTHOMMATIN'
p11047
S'C(C(CC(C1(=CC=CC4(=C1NC3(C2(=C(C=C(C([O-])=O)N=C2C(C=C3O4)=O)[O-])))))=O)[N+])([O-])=O'
p11048
sS'CPD-10349'
p11049
S'C(O)C1(OC(C(O)C(O)C(O)1)C4(=C(OC2(OCC(O)C(O)C(O)2))C=C3(OC(=CC(C3=C(O)4)=O)C5(C=CC(O)=CC=5))))'
p11050
sS'CPD-10348'
p11051
S'CC6(OC(OC1(C(O)C(O)C(CO)OC1C4(=C(OC2(OC(CO)C(O)C(O)C(O)2))C=C3(OC(=CC(C3=C(O)4)=O)C5(C=CC(O)=CC=5)))))C(O)C(O)C(O)6)'
p11052
sS'CPD-16965'
p11053
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(NC(CC([O-])=O)C([O-])=O)=CC=1))O2)'
p11054
sS'CPD-16964'
p11055
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(O)=CC=1))O2)'
p11056
sS'CPD-16967'
p11057
S'CC(C)=CCCC(C)=CCCC(C)=CCC1(C2(=C(NC1)C=CC=C2))'
p11058
sS'CPD-16966'
p11059
S'C=CC(C)(C)C7(C=CC6(=C(C5(=C(C4(C)(C3(C)(C(O)(C2(=CC(=O)C1(OC(OC(C)(C)1)2CC3)))CC[CH]4C5)))N6))C=7))'
p11060
sS'CPD-16961'
p11061
S'CC1(C)(OC23(OC1C(=O)C=C2[CH]4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p11062
sS'CPD-16960'
p11063
S'CC(C1(C(C)NC2(=C([N+](=C)1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p11064
sS'CPD-16963'
p11065
S'C=CC(C)(C)C7(C6(=C(NC5(=C(C[CH]4(C(C)(C3(C)(C(O)(C2(=CC(=O)C1(OC(OC(C)(C)1)2CC3)))CC4))5))6))C=CC=7))'
p11066
sS'CPD-16962'
p11067
S'CC1(C)(OC23(OC1C(=O)C=C2C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p11068
sS'CPD-4703'
p11069
S'C=C(C2(CC1(C(CCC=C1C)C)CC2))C'
p11070
sS'CPD-4702'
p11071
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)C(O)CCC(C)1C=2CCC(C)34))))'
p11072
sS'ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA'
p11073
S'CC(=O)NC1(C(O)OC(CC(C(O)C(O)CO)1)(OC2(C(O)C(O)C(CO)OC(O[R])2))C(=O)O)'
p11074
sS'CPD-16968'
p11075
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(C5(C(NC=4)=CC=CC=5)))'
p11076
sS'THIAMINE-P'
p11077
S'CC1([N+](=CSC(CCOP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p11078
sS'CPD-12275'
p11079
S'CC(O)CC(O)C'
p11080
sS'CPD-12277'
p11081
S'C1(CC(O)CC(O)C1)'
p11082
sS'CPD-12276'
p11083
S'CC(O)CCO'
p11084
sS'CPD-12271'
p11085
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)CCC(=O)NC(CCCCNC(C(C)[N+])=O)C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p11086
sS'CPD-12272'
p11087
S'CC(NC(C(CO)[N+])=O)C(=O)NCCCCC(C(=O)NC(C)C(NC(C([O-])=O)C)=O)NC(=O)CCC(C([O-])=O)NC(=O)C(C)NC(=O)C(C)OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3)'
p11088
sS'CPD-9326'
p11089
S'C(=O)([O-])CC(=O)N'
p11090
sS'CPD-12279'
p11091
S'C(=O)([O-])C=N'
p11092
sS'CPD-12278'
p11093
S'C(C(=O)NC=O)=CC(=O)[O-]'
p11094
sS'CPD-11561'
p11095
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OP(=O)([O-])OP([O-])(=O)OP([O-])(=O)O)([O-])=O'
p11096
sS'CPD-10529'
p11097
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p11098
sS'CPD-10528'
p11099
S'CCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-]'
p11100
sS'CPD-10523'
p11101
S'C2(C=CC1(NC(O)C(O)C=1C=2))'
p11102
sS'CPD-10520'
p11103
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p11104
sS'CPD-10527'
p11105
S'COC2(C=C3(OC(C1(=CC=C(O)C(O)=C1))=C(OC)C(=O)C(=C(O)C(O)=2)3))'
p11106
sS'CPD-10525'
p11107
S'C4(C=CC3(=C(C(=O)C(=C1(C(=O)C2(=C(N1)C=CC=C2)))N3)C=4))'
p11108
sS'CPD-9327'
p11109
S'COC1(C(=CC=C(C=1)C[N+])O)'
p11110
sS'N-QUINOLIN-8-YLMETHANESULFONAMI'
p11111
S'CS(=O)(=O)[N-]C2(C1(N=CC=CC=1C=CC=2))'
p11112
sS'CPD-18963'
p11113
S'COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(CO)2)C=C(C=CC([O-])=O)C=C(OC)3)))'
p11114
sS'CPD-18962'
p11115
S'COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(CO)2)C=C(C=CC=O)C=C(OC)3)))'
p11116
sS'CPD-18961'
p11117
S'COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(CO)2)C=C(C=CCO)C=C(OC)3)))'
p11118
sS'CPD-18960'
p11119
S'CCC1(C=CC=C(C)C(NC(=O)CCl)=1)'
p11120
sS'CPD-14998'
p11121
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))'
p11122
sS'CPD-18964'
p11123
S'COC1(=CC(=CC=C(O)1)C2(OC3(=C(C(C=O)2)C=C(C=CC([O-])=O)C=C(OC)3)))'
p11124
sS'CPD-14997'
p11125
S'CC2(OC3(=C(C=C4(OC1(C(=C(O)C=C([O-])C=1)C(C(=C(CC2)3)4)=O)))O))C'
p11126
sS'CPD-14994'
p11127
S'CCC=CCC(C=CC=CCCCCCCCC([O-])=O)O'
p11128
sS'CPD-14995'
p11129
S'C(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))C(O)C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))5))(=O)C=CC6(C=CC(O)=CC=6)'
p11130
sS'GLYCOLALDEHYDE'
p11131
S'C(O)[CH]=O'
p11132
sS'CPD-14993'
p11133
S'COC1(=CC(=CC=C(O)1)C2(OC5(C(C(=O)C=2OC4(OC(C(OC(=O)C=CC3(C=CC(O)=CC=3))C(O)C(O)4)CO))=C(O)C=C(O)C=5)))'
p11134
sS'CPD-14990'
p11135
S'COC1(=CC(=CC=C(O)1)C2(OC5(C(C(=O)C=2OC4(OC(C(O)C(OC(=O)C=CC3(C=CC(O)=CC=3))C(O)4)CO))=C(O)C=C(O)C=5)))'
p11136
sS'CPD-14991'
p11137
S'C(OC4(C(O)C(O)C(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))OC4CO))(=O)C=CC5(C=CC(O)=CC=5)'
p11138
sS'N3-METHYLCYTOSINE'
p11139
S'C[N+]1(C(NC=CC(N)=1)=O)'
p11140
sS'TRIMETHYLAMINE-N-O'
p11141
S'CN(=O)(C)C'
p11142
sS'4-TOLUENECARBOXYLATE'
p11143
S'CC1(C=CC(=CC=1)C(=O)[O-])'
p11144
sS'S-4-BROMOPHENYL-L-CYSTEINE'
p11145
S'C(C(C([O-])=O)[N+])SC1(C=CC(Br)=CC=1)'
p11146
sS'CPD-728'
p11147
S'CCC=CC[CH]1(OC1=CC=CCCCCCCCC(=O)[O-])'
p11148
sS'ANILINE'
p11149
S'C1(C=CC(N)=CC=1)'
p11150
sS'CPD-14196'
p11151
S'C([N+])C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(O)C(OC1(C(O)C(O)C(CO)O1))2))O3)'
p11152
sS'CPD0-2066'
p11153
S'CN1(C(=NN=N1)SCC2(CSC3(C(C(N(C(C(=O)O)=2)3)=O)NC(C(C4(C=CC=CC=4))O)=O)))'
p11154
sS'CPD-14195'
p11155
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(=O)C=C4(C(C)3CCC(O)C4))))'
p11156
sS'CPD-14193'
p11157
S'C([N+])CC(O)C(=O)NC3(CC([N+])C(OC1(OC(C[N+])C(O)C(O)C([N+])1))C(OC2(C(O)C(O)C(CO)O2))C(O)3)'
p11158
sS'CPD0-2018'
p11159
S'CC1(=C(N)NC(=O)N=C1)'
p11160
sS'CPD0-2019'
p11161
S'C(O)C(O)C1(OC(C(=O)O)CC(O)C(O)1)'
p11162
sS'CPD0-2017'
p11163
S'CC(=O)NC(CCCNC(N)=N)C(=O)O'
p11164
sS'CPD0-2015'
p11165
S'CC(=O)NC(CCSC)C([O-])=O'
p11166
sS'CPD0-2012'
p11167
S'CC1([N+]([O-])=CC=CC=1)'
p11168
sS'CPD0-2013'
p11169
S'C(C3(C(C(C(N2(C=NC1(C(=[NH])N(C=NC=12)O)))O3)O)O))O'
p11170
sS'CPD-14198'
p11171
S'CC(C)CCCC(C)[CH]3(CC[CH]4(C25(OC(C=C1(CC(O)CCC(C)1[CH]2CCC(C)34))5)))'
p11172
sS'CPD-14199'
p11173
S'CC(C)CCCC(C)C1(C3(C)(C(CC1)C24(OC2CC5(C(C)(C(CC3)4)CCC(O)C5))))'
p11174
sS'CPD-9322'
p11175
S'CC(C)=CCC(C2(=CC(C1(C(=CC=C(C=1C2=O)O)O))=O))O'
p11176
sS'CPD0-1252'
p11177
S'C2(NC3(=C(N=C(CSC1(C=CC(C([O-])=O)=CC=1))2)C(=O)NC(N)=N3))'
p11178
sS'CPD-15828'
p11179
S'C(O)C(=O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p11180
sS'CPD-15821'
p11181
S'C2(OC3(C(C(=O)C(C1(=CC=CC=C1))2)=CC=CC=3))'
p11182
sS'CPD-15823'
p11183
S'C1(C=CC(=CC=1)C2(=CCOC3(C2=CC=CC=3)))'
p11184
sS'CPD-15822'
p11185
S'C2(=O)(OC3(C(C(C1(=CC=CC=C1))=C2)=CC=CC=3))'
p11186
sS'CPD-13994'
p11187
S'CC2(C)(C1(CC(C)(CC1)C(=O)2))'
p11188
sS'O-SUCCINYLBENZOATE'
p11189
S'C1(C=CC(C(=O)[O-])=C(C=1)C(=O)CCC(=O)[O-])'
p11190
sS'CPD0-1256'
p11191
S'CC2(C(C)=CC1(N3(C%12(C(O)C(OP(=O)([O-])O[CH](C)CNC(=O)CCC8(C)(C4(N9([Co+]6%10(N(C=1C=2)=C3)(N5(=C(C(C)=4)C(CCC(=O)N)C(C)(C)C5=CC7(=N6C(C(CC(=O)N)(C)C(CCC(=O)N)7)=C(C)C%11(C(CCC(N)=O)C(CC(=O)N)(C)C(C)([CH](C(CC(=O)N)8)9)N%10=%11))))O))))C(CO)O%12))))'
p11192
sS'NALPHANALPHA-DIMETHYL-L-HISTIDINE'
p11193
S'C[N+](C)C(CC1(=CNC=N1))C(=O)[O-]'
p11194
sS'CPD-14338'
p11195
S'CC(C=CC1(C(C)(C)CC(O)CC(C)=1))=CC=CC(C)=CCO'
p11196
sS'CPD-18348'
p11197
S'CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O'
p11198
sS'CPD-14332'
p11199
S'CC(C)=CCOP(=O)([O-])[O-]'
p11200
sS'CPD-18346'
p11201
S'CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p11202
sS'CPD-14330'
p11203
S'CC(C=CC1(=C(C=CCC1(C)C)C))=CC=CC(=CC=O)C'
p11204
sS'CPD-18344'
p11205
S'C=CC(C)(CCC(C)(O)C(C)C)C1(=CC=C3(C2(=C1NC=C2CC(CO)NC(C(C(C)C)N(C)3)=O)))'
p11206
sS'CPD-18343'
p11207
S'CCCCC1(CCC(C)(C=C)C3(C1=C2(C4(C(=CN2)CC(COC)NC(C(C(C)C)N(C)C(C=3)=4)=O))))'
p11208
sS'PIPERAZINE'
p11209
S'C1(C[N+]CCN1)'
p11210
sS'CPD-14442'
p11211
S'CC(O)C=C(O)C([O-])=O'
p11212
sS'CPD-14443'
p11213
S'C1(C(O)CC(=NC1C([O-])=O)C([O-])=O)'
p11214
sS'CPD-17971'
p11215
S'CCC(C2(NC(C(NC(=O)C(CCCCCC(=O)CC)NC(=O)C1(N(CCC1)C2=O))CC3(C4(C(N(OC)C=3)=CC=CC=4)))=O))C'
p11216
sS'CPD-17970'
p11217
S'CCC(C1(NC(C(NC(=O)C(CCCCCC(O)CC)NC(=O)C2(N(C1=O)CCCC2))CC3(C4(C(N(OC)C=3)=CC=CC=4)))=O))C'
p11218
sS'CPD-17973'
p11219
S'CON2(C1(C=CC=CC=1C(CC([N+])C(=O)[O-])=C2))'
p11220
sS'CPD-17972'
p11221
S'CCC(O)CCCCCC([N+])C([O-])=O'
p11222
sS'CPD-17975'
p11223
S'CCCCCCC(=O)C([O-])=O'
p11224
sS'CPD-17974'
p11225
S'C(O)CCCCCC([N+])C([O-])=O'
p11226
sS'6-HYDROXY-3-HEXENOYL-COA'
p11227
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC=CCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11228
sS'CPD-17979'
p11229
S'CCC1(=C(C(=O)NC1CC2(=C(C)C(CCC(=O)[O-])=C(N2)C=C3(N=C(C(C)=C(CCC(=O)[O-])3)CC4(NC(C(C=C)=C(C)4)=O))))C)'
p11230
sS'CPD-17978'
p11231
S'CCC1(=C(C(=O)NC1CC2(=C(C)C(CCC(=O)[O-])=C(N2)CC3(NC(=C(C)C(CCC(=O)[O-])=3)CC4(NC(C(C=C)=C(C)4)=O))))C)'
p11232
sS'OLEANDOMYCIN'
p11233
S'CC4(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(OC2(CC(OC)C(O)C(C)O2))C(C)C(OC3(OC(C)CC(C(O)3)[N+](C)C))4)'
p11234
sS'CPD-15795'
p11235
S'CC1(C(OC)C(C)(O)C(OC)C(O1)OC2(CC(C)(O)C(C(OC)=O)C3(C2=C(O)C4(=C(C=3)C(=O)C7(=C(C(=O)4)C(O)=CC6(=C(C[CH]5(CC([N+](C)C)CC(C)(O5)6))7))))))'
p11236
sS'4-AMINO-4-DEOXYCHORISMATE'
p11237
S'C=C(C(=O)[O-])OC1(C([N+])C=CC(C([O-])=O)=C1)'
p11238
sS'CPD-13875'
p11239
S'CC(=CCCC(C12(CC=C(C(C1)2)C))C)C'
p11240
sS'CPD-13870'
p11241
S'CC2(CCC1(C(C)(C)C1C=C(CCC=2)C))'
p11242
sS'CPD-13871'
p11243
S'CC2(=CCCC(C)=CC1(C(C)(C)[CH]1CC2))'
p11244
sS'CPD-13873'
p11245
S'CC(=CCCC(C12(CCC(C(C1)2)=C))C)C'
p11246
sS'CPD-13878'
p11247
S'CC(=CCCC1(C)(CCC3(C(C1)(CCC4(C)([CH]2(CCC(C(C)C(C)2CC[CH]34)=O)))C)(C)))C'
p11248
sS'CPD-13879'
p11249
S'CC(C)=CCC[CH](C)[CH]1(CCC2(C1(C)CC=C4([CH]2CC[CH]3(C(C)(CCC(O)C(C)(C)3)4)))(C))'
p11250
sS'CPD-746'
p11251
S'C1(C3(C(=O)OC2(CC(CC1C2)(O)C3)))'
p11252
sS'CPD-7952'
p11253
S'CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C)C)C)C'
p11254
sS'CPD-6722'
p11255
S'CC(C)=CCC1(C=C(C=CC(O)=1)C2(C(C3(=C(OC=2)C=C(C=C3O)[O-]))=O))'
p11256
sS'CPD-6721'
p11257
S'CC(C)=CCC3(=C(C=C(C1(=C(OC=C(C1=O)C2(=CC=C(O)C=C2))3))O)[O-])'
p11258
sS'CPD-8949'
p11259
S'C1(OC(=O)C7(=C(C6(=C(O)C(=C(C=C(C(=O)OC5(C1OC(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C(OC(=O)C4(C=C(O)C(O)=C(O)C=4))5))6)O)O))C(O)=C(O)C(O)=C7))'
p11260
sS'CPD-8948'
p11261
S'C(C1(OC(C(C(C1O)O)O)O))OC(=O)C2(C=C(C(=C(C=2)O)O)O)'
p11262
sS'CPD0-1388'
p11263
S'C(C2(C(C(F)C(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O'
p11264
sS'CPD0-1386'
p11265
S'C(=O)([O-])C([N+])CC(=O)NS'
p11266
sS'CPD-8947'
p11267
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C3(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(O)C(O)3)OC(C4(C=C(O)C(O)=C(O)C=4))=O)'
p11268
sS'CPD-8941'
p11269
S'C(NC(C=CC1(C=CC=CC=1))=O)CC2(C=CC(O)=CC=2)'
p11270
sS'CPD-8943'
p11271
S'C(NC(C=CC1(C=CC(=CC=1)O))=O)CC2(C=CC(O)=CC=2)'
p11272
sS'CPD-8942'
p11273
S'COC2(=C(C(=CC(C=CC(=O)NCCC1(C=CC(O)=CC=1))=C2)OC)O)'
p11274
sS'5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS'
p11275
S'CCCCCC(=O)C=CC1(C(O)C[CH]2([CH]1CC(=CCCCC(=O)[O-])O2))'
p11276
sS'CPD-9143'
p11277
S'CC(=O)C([N+]([O-])=O)=CC=C(O)C([O-])=O'
p11278
sS'DIETHYL-2-METHYL-3-OXOSUCCINATE'
p11279
S'CCOC(=O)C(C)C(=O)C(=O)OCC'
p11280
sS'PHOSPHORIBOSYL-FORMIMINO-AICAR-P'
p11281
S'C(NC1(OC(COP([O-])(=O)[O-])C(O)C(O)1))=NC3(=C(C(N)=O)N=CN(C2(OC(COP([O-])(=O)[O-])C(O)C(O)2))3)'
p11282
sS'CPD-14700'
p11283
S'C1(C=C2(C(=CC=1)C(CCC2)[N+]))'
p11284
sS'D-GLUCARATE'
p11285
S'C(=O)(C(O)C(O)C(O)C(O)C(=O)[O-])[O-]'
p11286
sS'CPD0-1655'
p11287
S'C(O)C(O)C(O)C(O)C(O)C(N)=O'
p11288
sS'CPD0-1656'
p11289
S'C(=O)(N)C1(OC(O)C(O)C(O)C(O)1)'
p11290
sS'CPD0-1650'
p11291
S'C(P(=O)(CP(=O)(O)[O-])[O-])C(C(=O)[O-])[N+]'
p11292
sS'CPD0-1653'
p11293
S'CN3(C=NC1(C(N=NC=1C2(OC(CO)C(O)C(O)2))=C(N)3))'
p11294
sS'CPD0-1652'
p11295
S'CC1(C=NNC=1)'
p11296
sS'CPD-12476'
p11297
S'C1(=CC=C(N)C(=C1)C2(C=CC=C(O)C(O)=2))'
p11298
sS'CPD-12475'
p11299
S'C1(=CC3(=C(C=C1)NC2(=C(C=CC=C2)3)))'
p11300
sS'CPD-15314'
p11301
S'CC(O)C(O)C1(=NC2(N=C(N)NC(=O)C(N=C1)=2))'
p11302
sS'CPD0-1659'
p11303
S'C=C=CC(CCCNC(=N)N)N'
p11304
sS'CPD-15312'
p11305
S'CC(O)C(O)C1(=CN=C2(N=C(N)NC(=O)C(=N1)2))'
p11306
sS'CPD-15310'
p11307
S'CC(C(O)C2(=CN=C1(N=C(NC(C1=N2)O)O)))O'
p11308
sS'3-HYDROXY-2-METHYL-1H-QUINOLIN-4-ONE'
p11309
S'CC1(NC2(C=CC=CC(C(=O)C([O-])=1)=2))'
p11310
sS'ANDROST4ENE'
p11311
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p11312
sS'DEMETHYLMACROCIN'
p11313
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(O)C(O)4)C))'
p11314
sS'CYCLOARTENOL'
p11315
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p11316
sS'CPD-9160'
p11317
S'C([O-])(=O)C(Cl)=CC=C(C([O-])=O)N'
p11318
sS'CPD-9161'
p11319
S'[CH](C(=CC=C(N)C(=O)[O-])Cl)=O'
p11320
sS'CPD-9162'
p11321
S'C(C(=CC=C(O)C(=O)[O-])Cl)(=O)[O-]'
p11322
sS'CPD-9163'
p11323
S'CC(=CC=C(O)C([O-])=O)C=O'
p11324
sS'GLUTARIMIDE'
p11325
S'C1(CCCC(N1)=O)=O'
p11326
sS'CPD-9165'
p11327
S'CCC=CC(C(=O)[O-])=O'
p11328
sS'CPD-9166'
p11329
S'CCC(O)=CC(=O)C(=O)[O-]'
p11330
sS'CPD-9167'
p11331
S'C(CC=CC(=O)C(=O)[O-])(=O)[O-]'
p11332
sS'CPD-9168'
p11333
S'C(C1(C(=CC=CC=1)[N+](=O)[O-]))(=O)[O-]'
p11334
sS'CPD-9169'
p11335
S'C(C1(C(=CC=CC=1)NO))(=O)[O-]'
p11336
sS'OPLOPHORUS-LUCIFERIN'
p11337
S'C1(C=CC(=CC=1)CC4(=C3(N=C(CC2(C=CC(O)=CC=2))C(=O)N3C=C(N4)C5(C=CC(O)=CC=5))))'
p11338
sS'CPD-8456'
p11339
S'CCCCCCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p11340
sS'CPD-791'
p11341
S'CC1(C2(C(CC(O1)(CC2)C)O))C'
p11342
sS'CPD-790'
p11343
S'CC2(C)(OC1(C)(CCC(CC(=O)1)2))'
p11344
sS'CONIFERYL-ALDEHYDE'
p11345
S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p11346
sS'CDP-N-METHYLETHANOLAMIN'
p11347
S'C(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2)))[N+]C'
p11348
sS'S-METHYL-1-THIO-D-GLYCERATE'
p11349
S'CSC(C(O)CO)=O'
p11350
sS'CPD-8806'
p11351
S'CC(C)C1(=CC=C(C)C2(=C1C=C(C=C2)C))'
p11352
sS'FRUCTOSEGLYCINE'
p11353
S'C([N+]CC(=O)[O-])C(=O)C(O)C(O)C(O)CO'
p11354
sS'TAXA-42011-DIEN-5A-OL'
p11355
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))'
p11356
sS'CPD-7418'
p11357
S'C(C=CC1(=C(C=CC=C1)O))(=O)[O-]'
p11358
sS'CPD-7419'
p11359
S'CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)'
p11360
sS'CPD-7416'
p11361
S'CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CC(C=C(C)1)O))C=CC=C(C)C=CC2(C(C)=CC(CC(C)(C)2)O)'
p11362
sS'CPD-7417'
p11363
S'C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O'
p11364
sS'CPD-7414'
p11365
S'CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CCC=C(C)1))C=CC=C(C)C=CC2(C(C)=CCCC(C)(C)2)'
p11366
sS'HYDROXYMALONATE'
p11367
S'C([O-])(=O)C(O)C([O-])=O'
p11368
sS'CPD-7412'
p11369
S'CC2(=C(O)C(C(C)=O)=C(O)C(C1(C)(C(=O)C(C(C)=O)=C([O-])C=C1))=C(O)2)'
p11370
sS'CPD-7413'
p11371
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)=CC(CC(C)(C)1)O)'
p11372
sS'CPD-7410'
p11373
S'CC(=CC=CC=C(C=CC=C(C=CC12(C(CC(CC1(C)O2)O)(C)C))C)C)C=CC=C(C=CC(=O)C3(CC(CC3(C)C)O)C)C'
p11374
sS'CPD-7411'
p11375
S'CC3(=C(O)C(C(C)=O)=C2(OC1(C(C)(C(=O)C(C(C)=O)=C([O-])C=1)C2=C([O-])3)))'
p11376
sS'CPD-16759'
p11377
S'CNOC'
p11378
sS'XANTHOSINE'
p11379
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p11380
sS'CPD-16754'
p11381
S'CC7(OC6(C(O)C(O)C(OC2(C1(C(C(OC1)=O)C(C4(C2=CC3(OCOC=3C=4)))C5(C=C(OC)C(O)=C(OC)C=5))))OC6CO7))'
p11382
sS'CPD-16755'
p11383
S'COC8(=C(O)C(=CC(C7(C1(=C(C=C2(OCOC(=C1)2))C(OC5(OC4(COC(C3(SC=CC=3))OC4C(O)C(O)5)))C6(COC(=O)C67))))=C8)OC)'
p11384
sS'CPD-16753'
p11385
S'CC(O)(C)C1(O[CH]2(C(=CC(O)1)C3(O)(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p11386
sS'CPD-16751'
p11387
S'CC(O)(C)C1(O[CH]2(C(=CC(O)1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p11388
sS'CPD-9700'
p11389
S'C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)'
p11390
sS'CPD-9701'
p11391
S'CC3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2)))C(O)CC(O)3)'
p11392
sS'CPD-12048'
p11393
S'CC12([CH](N(C)CC1)N(C)C3(=C2C=C(OC(=O)NC)C=C3))'
p11394
sS'TETRACOSANOATE'
p11395
S'CCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p11396
sS'CPD-12046'
p11397
S'C(O)C1(C(O)C(O)C(O)O1)'
p11398
sS'N-METHYLANILINE'
p11399
S'CNC1(C=CC=CC=1)'
p11400
sS'CPD-12040'
p11401
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OC1(OC(CO)C(O)C(O)1)'
p11402
sS'CPD-12041'
p11403
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OC1(OC(CO)C(O)C(=O)1)'
p11404
sS'SELENITE'
p11405
S'[O-][Se](=O)[O-]'
p11406
sS'ERYTHRONATE-4P'
p11407
S'C(OP(=O)([O-])[O-])C(C(C([O-])=O)O)O'
p11408
sS'CPD-6227'
p11409
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C)([CH](CC2)3)4)C(=O)[O-]))C=O)))'
p11410
sS'3-HYDROXY-5917-TRIOXO-45910-DISECOA'
p11411
S'CC(=CC=C(O)C(=O)[O-])C(=O)CCC1(C(=O)CCC2(C)(C(=O)CC[CH]12))'
p11412
sS'ANTIMONITE'
p11413
S'[O-][Sb]([O-])[O-]'
p11414
sS'ENT-KAUR-16-EN-19-AL'
p11415
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))'
p11416
sS'CPD-13664'
p11417
S'CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC3(C([N+])C(O)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(CO)O3))'
p11418
sS'6-LACTOYL-5678-TETRAHYDROPTERIN'
p11419
S'CC(O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p11420
sS'CPD0-2084'
p11421
S'CC1(C=N(=O)C=CC=1)'
p11422
sS'N-METHYLTRYPTOPHAN'
p11423
S'C[N+]C(CC2(C1(C=CC=CC=1NC=2)))C(=O)[O-]'
p11424
sS'CPD-18555'
p11425
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C=O)=CC3)))'
p11426
sS'BACCATIN-III'
p11427
S'CC3(C(O)CC2(O)(C(OC(C1(C=CC=CC=1))=O)[CH]4(C(C)(C(=O)C(OC(C)=O)C(C(C)(C)2)=3)C(O)CC5(OCC(OC(=O)C)45))))'
p11428
sS'23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ'
p11429
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC13(OC(C)(C(=O)C2(C=CC=CC(C(=O)1)=2))3)'
p11430
sS'CPD-13489'
p11431
S'C([N+])CC[N+]CCCCNC(=[N+])N'
p11432
sS'CPD-13488'
p11433
S'C(=O)([O-])CCP(O)(=O)[O-]'
p11434
sS'CPD-11469'
p11435
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(CCCC(OC)(C)C)C)C)C)C)C)C)C'
p11436
sS'CPD-11468'
p11437
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C)C'
p11438
sS'CPD-12174'
p11439
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO'
p11440
sS'CPD-8455'
p11441
S'CCCCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p11442
sS'CPD-11461'
p11443
S'CC(=CC=CC=C(C=CC=C(C=CC1(=C(C)C(C)=C(C([O-])=O)C=C1))C)C)C=CC=C(C=CC2(C=CC(CO)=C(C)C(C)=2))C'
p11444
sS'CPD-11460'
p11445
S'CC(=CC=CC=C(C=CC=C(C=CC1(=C(C)C(C)=C(C([O-])=O)C=C1))C)C)C=CC=C(C=CC2(C=CC(C)=C(C)C(C)=2))C'
p11446
sS'CPD-11463'
p11447
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)C)C)C)C)C'
p11448
sS'CPD-11462'
p11449
S'CC(C=CC=C(C=CC1(=C(C)C(C)=C(C([O-])=O)C=C1))C)=CC=CC=C(C=CC=C(C=CC2(C=CC(C([O-])=O)=C(C)C(C)=2))C)C'
p11450
sS'CPD-11465'
p11451
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(O)(C)C)C)C)C)C)C)C)C'
p11452
sS'CPD-11464'
p11453
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)C)C)C)C)C'
p11454
sS'CPD-11467'
p11455
S'CC(C=CC=C(CCC=C(CCC=C(O)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C'
p11456
sS'CPD-11466'
p11457
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)C=CC(=O)C(OC)(C)C)C)C)C)C)C)C'
p11458
sS'GLYCOLITHOCHOLATE-3-SULFATES'
p11459
S'CC(CCC(=O)NCC(=O)[O-])[CH]1(CC[CH]2(C1(C)CC[CH]3([CH]2CC[CH]4(C(C)3CCC(OS(=O)(=O)[O-])C4))))'
p11460
sS'124-TCB'
p11461
S'C1(C(Cl)=CC(=C(C=1)Cl)Cl)'
p11462
sS'CPD-4568'
p11463
S'CC(C)=CCCC([CH]1(C2(C)(C(CO)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p11464
sS'CPD-17401'
p11465
S'CCC=CCCC(O)CC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11466
sS'CPD-17403'
p11467
S'CCC=CCCC(O)CC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11468
sS'CPD-17402'
p11469
S'CCC=CCCC(O)CC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11470
sS'CPD-17405'
p11471
S'CCCCC=CC=CC=CCCCCCCCC(=O)[a'
p11472
sS'4-OXOGLUTARAMATE'
p11473
S'C(CC(=O)[O-])C(C(N)=O)=O'
p11474
sS'CPD-17158'
p11475
S'CC(CCN(C)C(=[N+])N)C([N+])C(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2))'
p11476
sS'CPD-17157'
p11477
S'C(O)C1(C(O)C(O)C(O)C(=O)O1)'
p11478
sS'CPD-17408'
p11479
S'CCC=CC=CC=CC=CCCCCCCCC([O-])=O'
p11480
sS'CPD-17155'
p11481
S'CC1(CC(O)C(O)C(=O)O1)'
p11482
sS'CPD-17154'
p11483
S'CC(O)C1(C(O)C(O)C(=O)O1)'
p11484
sS'CPD-17152'
p11485
S'CCC(CC(C)C(=O)C2(C(=O)NC(C(O)C1(C=CC(O)=CC=1))C([O-])=2))C'
p11486
sS'CPDMETA-13642'
p11487
S'CC2(C)(CC3(C=C(C([O-])=O)C1(C(C(=O)COC(=O)C1)(C2)3)))'
p11488
sS'CPDMETA-13643'
p11489
S'CC1(CCC3(C(C([O-])=O)=CC2(C(O)C(C)(C)CC123)))'
p11490
sS'FORMALDEHYDE'
p11491
S'[CH2]=O'
p11492
sS'CPD-13313'
p11493
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCCC=C(C)CCCC(C)CCCC(C)CCCC(C)C'
p11494
sS'CPD-3424'
p11495
S'C(C1(OC(C(O)C(O)C1O)OC2(C=CC3(=C(C=2)OC=C(C3=O)C4(C=CC(=CC=4)O)))))O'
p11496
sS'CPD-13315'
p11497
S'COC2(=CC(CCC(=CC(CCC1(=CC(=C(C=C1)O)OC))=O)O)=CC=C(O)2)'
p11498
sS'CPD-13314'
p11499
S'COC2(=CC(C=CC(=CC(CCC1(=CC(=C(C=C1)O)OC))=O)O)=CC=C(O)2)'
p11500
sS'CPD-3421'
p11501
S'C(O)C4(C(O)C(O)C(O)C(OC3(=CC2(OC=C(C1(C=CC(O)=CC=1))C(=O)C=2C(O)=C3)))O4)'
p11502
sS'CPD-13319'
p11503
S'CN2(C(N)=NC(=O)C1(N=CNC=12))'
p11504
sS'CPD-14105'
p11505
S'C([O-])(=O)C1(OC(C([O-])=O)=CC=1)'
p11506
sS'CPD-10757'
p11507
S'CC1(CCC3(C21(CCC(O)(C)C(C2)C(C)(C)3)))'
p11508
sS'CPD-10750'
p11509
S'CC3(C(C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)=O)'
p11510
sS'CPD-10753'
p11511
S'CC1(C(C(C(C(O)O1)NC(=O)C)O)NC(=O)C)'
p11512
sS'CPD1G-773'
p11513
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)'
p11514
sS'CPD1G-772'
p11515
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)'
p11516
sS'CPD1G-771'
p11517
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)'
p11518
sS'CPD-10758'
p11519
S'CC(C)=CCCC(C)=C1(CC=C(C)CC1)'
p11520
sS'CPD1G-774'
p11521
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(COP(=O)([O-])[O-])O1))O2))C(O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)'
p11522
sS'CPD-14835'
p11523
S'COC5(C=C(C=CC(=CC(C=CC1(C=C(C(=CC=1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)COC4(C(C(C(C(O4)CO)O)O)O))O)O)O))O)O)O))OC))=O)O)C=CC(O)=5)'
p11524
sS'CPD-14834'
p11525
S'COC2(=C(OC)C1(C(=O)O[CH](C=1C=C2)[CH]5(C4(C(OC)=C3(OCOC3=CC=4CCN(C)5)))))'
p11526
sS'CPD-14837'
p11527
S'C1(C=C6(OCOC(=CC=1C2(OCC3(C(OCC23)C4(=CC5(OCOC(C=C(O)4)=5)))))6))'
p11528
sS'CPD-14836'
p11529
S'COC6(C=C(C=CC(=CC(C=CC1(C=C(C(=CC=1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)COC4(C(C(C(C(O4)COC5(C(C(C(C(O5)CO)O)O)O))O)O)O))O)O)O))O)O)O))OC))=O)O)C=CC(O)=6)'
p11530
sS'CPD-14831'
p11531
S'CN3([CH](C1(C(=CC2(OCOC(C(O)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p11532
sS'CPD-14830'
p11533
S'CN3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p11534
sS'CPD-14833'
p11535
S'COC2(C(OC)=C1(C(O)O[CH](C1=CC=2)[CH]5(C4(=C(OC)C3(OCOC=3C=C4CCN(C)5)))))'
p11536
sS'CPD-14832'
p11537
S'CN3([CH](C1(C(=CC2(OCOC(C(OC)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p11538
sS'CPD-14839'
p11539
S'C1(C=C8(OCOC(=CC=1C2(OCC3(C(OCC23)C6(=CC7(OCOC(C=C(OC4(C(C(C(O)C(O4)COC5(C(C(C(O)C(O5)CO)O)O))O)O))6)=7)))))8))'
p11540
sS'CPD-14838'
p11541
S'C1(C=C7(OCOC(=CC=1C2(OCC3(C(OCC23)C5(=CC6(OCOC(C=C(OC4(C(C(C(O)C(O4)CO)O)O))5)=6)))))7))'
p11542
sS'NAIR'
p11543
S'C1(=NC([N+]([O-])=O)=C([N+])N1C2(OC(OP([O-])([O-])=O)C(O)C(O)2))'
p11544
sS'CPD-18481'
p11545
S'C(C1(OC(=O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p11546
sS'CPD-18482'
p11547
S'C(C(C(C(C(C([O-])=O)O)O)O)O)S([O-])(=O)=O'
p11548
sS'GLUTACONYL-COA'
p11549
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C=CCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11550
sS'CPD-18795'
p11551
S'C(O)C1(C(O)C(O)C(O)C(O)C=1)'
p11552
sS'CPD-14102'
p11553
S'C(O)C1(=CC=CO1)'
p11554
sS'CPD-5702'
p11555
S'COC1(=CC=C(C=C(OC)1)C(O)CO)'
p11556
sS'CHLORDECONE'
p11557
S'C1(=O)(C3(Cl)(C5(Cl)(C4(Cl)(C(Cl)(Cl)C2(Cl)(C(Cl)(C(Cl)1C(Cl)2C(Cl)34)5)))))'
p11558
sS'CPD-622'
p11559
S'CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]'
p11560
sS'CPD-7949'
p11561
S'CCCCCCCCCCCCC'
p11562
sS'CPD-10110'
p11563
S'C=CC(O)(C)CCC1(C(O)(C)CCC2(C(C)(C)CCCC(C)12))'
p11564
sS'TDP-FUC4NAC'
p11565
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(NC(=O)C)C(O)C(O)3)))'
p11566
sS'4-HYDROXYAMINOQUINOLINE-N-OXIDE'
p11567
S'C2(=N(=O)C1(C=CC=CC=1C(=C2)NO))'
p11568
sS'CPD-16013'
p11569
S'CCC(=N)C(=O)[O-]'
p11570
sS'CPD-10447'
p11571
S'CC1(C(NO)=CC([N+](=O)[O-])=CC([N+](=O)[O-])=1)'
p11572
sS'PROTON'
p11573
S'[H+]'
p11574
sS'6-HYDROXYCYCLOHEX-1-ENE-1-CARBONYL-COA'
p11575
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(CCCC=1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p11576
sS'CPD-7940'
p11577
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCC'
p11578
sS'CPD0-441'
p11579
S'C(N(O)C=O)CCP([O-])(O)=O'
p11580
sS'CPD-7942'
p11581
S'CCCCCCCCCCCCCCCCCCC'
p11582
sS'CPD-7250'
p11583
S'C(S(=O)O)C(C(=O)N[R])NC(=O)[R]'
p11584
sS'CPD-7251'
p11585
S'C(SO)C(C(=O)N[R])NC(=O)[R]'
p11586
sS'CPD-7252'
p11587
S'COC1(=CC=C(C=C1)C3(=C([O-])C(=O)C2(=C(O)C=C(O)C=C2O3)))'
p11588
sS'CPD-7257'
p11589
S'CC(CCC(=O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p11590
sS'CPD-18578'
p11591
S'CCC(OC)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p11592
sS'CPD-7234'
p11593
S'CC(=CC([O-])=O)C=CC1(O)(C(CO)(C)CC(=O)C=C(C)1)'
p11594
sS'5Z8Z11Z14Z17Z-EICOSAPENTAENOATE'
p11595
S'CCC=CCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p11596
sS'CPD-18570'
p11597
S'CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C([O-])=O'
p11598
sS'CPD-18571'
p11599
S'CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p11600
sS'CPD-18572'
p11601
S'CCCCCCCCCCCCCCCCCCC(=O)[O-]'
p11602
sS'CPD-18573'
p11603
S'CCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p11604
sS'CPD-18574'
p11605
S'COC2(=CC(O)=CC(C1(C=CC=CC=1))=C2)'
p11606
sS'CPD-18575'
p11607
S'COC2(=C(O)C(O)=CC(C1(C=CC=CC=1))=C2)'
p11608
sS'CPD-18576'
p11609
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p11610
sS'CPD-18577'
p11611
S'CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p11612
sS'CPD-15129'
p11613
S'C1(=NC2(=C(C=C1)C=C(O)C=C2))'
p11614
sS'CPD-15121'
p11615
S'C1(=C(F)C(N)=NC(=O)N1)'
p11616
sS'CPD-15122'
p11617
S'C4(C=CC(C(=O)C3(C=C(C1(=C([O-])C(=O)C2(C(O)=CC([O-])=CC(O1)=2)))C=CC=3))=CC=4)'
p11618
sS'CPD-15123'
p11619
S'CC1(=CN(C(=O)NC(=O)1)C2(OC(CO)C(O)C(O)2))'
p11620
sS'CPD-15125'
p11621
S'C(=O)([O-])CCC(O)C=C(O)C(=O)[O-]'
p11622
sS'CPD-15127'
p11623
S'C(C(=O)[O-])C(O)C(O)C(O)C=O'
p11624
sS'DEOXYRIBONOLACTONE'
p11625
S'C1(C(=O)OC(CO)C(O)1)'
p11626
sS'CPD-16818'
p11627
S'CCCC1(=C(C)C(C(=O)[O-])=C(CCC(=O)[O-])O1)'
p11628
sS'4-hydroxy-2-1H-quinolone'
p11629
S'C2(C=CC1(NC(=O)C=C(O)C=1C=2))'
p11630
sS'3-HYDROHYDROXYPHOSPHORYLPYRUVATE'
p11631
S'C([O-])(=O)C(=O)C[PH]([O-])=O'
p11632
sS'ETHYLACETATE'
p11633
S'CCOC(=O)C'
p11634
sS'AMP-MOR'
p11635
S'C1(OCCN(C1)P(=O)([O-])OCC4(C(C(C(N3(C=NC2(C(N)=NC=NC=23)))O4)O)O))'
p11636
sS'CPD-16727'
p11637
S'C(O)C=C1(C(CO)=CC(=O)O1)'
p11638
sS'PHENOLIC-STEROID'
p11639
S'CC24(CCCC(C3(CCC1(=CC(O)=CC=C1C(CC2)3)))4)'
p11640
sS'CPD-9759'
p11641
S'C(=O)([O-])C1(=C(O)C=C2(C(=C(O)1)C(=O)C3(C(C(=O)2)=CC=CC=3)))'
p11642
sS'5-METHYLTHIOTUBERCIDIN'
p11643
S'C2(=CC1(C(N)=NC=NC=1N2C3(OC(CSC)C(O)C(O)3)))'
p11644
sS'CPD-9950'
p11645
S'CC([N+])C(=O)C1(=CC=CC=C1)'
p11646
sS'CPD-9953'
p11647
S'CC([N+])C(O)C1(C=CC=CC=1)'
p11648
sS'CPD-9758'
p11649
S'CC(=CCCC(=CCOC(C)=O)C)C'
p11650
sS'CPD-9955'
p11651
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)=C(OC)C(OC)=C(O)C(C)=1)'
p11652
sS'CPD-9954'
p11653
S'CC(NC)C(O)C1(C=CC=CC=1)'
p11654
sS'CPD-9957'
p11655
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)=C(OC)C(OC)=C(O)C(C)=1)'
p11656
sS'CPD-9956'
p11657
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)=C(OC)C(OC)=C(O)C(C)=1)'
p11658
sS'CPD-9959'
p11659
S'CC1(C23(C(CC1)=C(C)C(C)(C)C(C2)CC3))'
p11660
sS'CPD-9958'
p11661
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)=C(OC)C(OC)=C(O)C(C)=1)'
p11662
sS'CPD-18756'
p11663
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))O)'
p11664
sS'CPD-18757'
p11665
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](C(O)C3(=CC2(=C(OCO2)C=C34)))5)))O)'
p11666
sS'CPD-18750'
p11667
S'C([O-])(=O)C(O)=CC=CC(=O)OC1(=CC=C(Br)C=C1)'
p11668
sS'CPD-18751'
p11669
S'CC1(CC=1)'
p11670
sS'CPD-18752'
p11671
S'CCC(C)C(C(OC)=O)NC(=O)C1(C=C(CC)C=C2(C(=O)CCC=12))'
p11672
sS'CPD-18753'
p11673
S'CCC(C)C(C([O-])=O)NC(=O)C1(C=CC=C2(C(=O)CCC=12))'
p11674
sS'CPD-12868'
p11675
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(=O)CCC2(CC12CCC(C)34)5))))'
p11676
sS'CPD-12869'
p11677
S'C[N+]1(=C3(C=CC=C(C(=NC2(C=CC=CC1=2))3)C(=O)[O-]))'
p11678
sS'ADENINE'
p11679
S'C1(N)(N=CN=C2(NC=NC=12))'
p11680
sS'CPD-12865'
p11681
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(CO)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p11682
sS'CPD-12866'
p11683
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C([CH]=O)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p11684
sS'CPD-12867'
p11685
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C([O-])=O)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p11686
sS'CPD-12860'
p11687
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))'
p11688
sS'CYTIDINE'
p11689
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))O'
p11690
sS'CPD-7629'
p11691
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)C(O)CC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p11692
sS'CPD-7628'
p11693
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p11694
sS'CPD-7620'
p11695
S'CCCCCC[CH]=O'
p11696
sS'CPD0-2089'
p11697
S'C2(C=CC(S(C1(C=CC=CC=1))=O)=CC=2)'
p11698
sS'LUCIFERYL-SULFATE'
p11699
S'C3(=C(N=C(CC1(C=CC=CC=1))C4(=NC(CC2(=CC=CC=C2))=C(OS(=O)(=O)[O-])N34))C5(=CC=C(O)C=C5))'
p11700
sS'CPD-9750'
p11701
S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p11702
sS'DIHYDROKAEMPFEROL-CMPD'
p11703
S'C1(=C(C=CC(=C1)O)C2(OC3(C(C(C2O)=O)=C(O)C=C(O)C=3)))'
p11704
sS'CPD-9757'
p11705
S'C=C1(CC1C([N+])C(=O)[O-])'
p11706
sS'CPD-3762'
p11707
S'C1(=NC(C(N)=O)C(N)=N1)'
p11708
sS'CPD0-2359'
p11709
S'C1(C(=O)[O-])(NC(=O)NC(=O)N1)'
p11710
sS'CPD0-2358'
p11711
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C(P(O)(=O)[O-])=CC(=O)NC(=O)2))'
p11712
sS'2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP'
p11713
S'CSCCC(C([O-])=COP([O-])(=O)[O-])=O'
p11714
sS'3-2-CARBOXYPHENYLCATECHOL'
p11715
S'C1(C=C(C(=CC=1)C(=O)[O-])C2(=CC=CC(=C(O)2)O))'
p11716
sS'ADENOSINE_DIPHOSPHATE_RIBOSE'
p11717
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OCC4(C(O)C(O)C(O4)O))([O-])=O'
p11718
sS'HOMO-I-CIT'
p11719
S'C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]'
p11720
sS'CPD-9754'
p11721
S'CC(C2(=CC(C(C1(C(=CC(=C(C=1)O)C)2))(O)C)=O))C'
p11722
sS'CPD0-2355'
p11723
S'CCCCCCCC[N+]CCCCCCCC'
p11724
sS'CPD0-2357'
p11725
S'[CH](=O)C1(OC=CC=1)'
p11726
sS'CPD0-2356'
p11727
S'[La+++]'
p11728
sS'CPD-1118'
p11729
S'C(=O)([O-])C2(C=C(O)C(O)=C(OC(C1(C=C(O)C(O)=C(O)C=1))=O)C=2)'
p11730
sS'CPDQT-50'
p11731
S'CC5(C(C)[CH]1(C(C)(CCC4(C)(C(C)1CC[CH]2(C(=CC[CH]3(C(C)(C)C(O)CCC(C)23))4)))CC5))'
p11732
sS'DEOXYMORPHOLINOFRUCTOSE'
p11733
S'C1(N(CCOC1)CC2(O)(OC(CO)C(O)C(O)2))'
p11734
sS'PD+2'
p11735
S'[Pd++]'
p11736
sS'CPD-11748'
p11737
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP([O-])(C)=O)NC(C)=O'
p11738
sS'5-METHYL-BARBITURATE'
p11739
S'C[C-]1(C(NC(=O)NC1=O)=O)'
p11740
sS'CPD-8143'
p11741
S'C4(=CC=C(C1(OC2(C(C(=O)C=1)=CC(=CC=2)OC3(OC(CO)C(O)C(O)C(O)3))))C=C4)'
p11742
sS'CPD-11749'
p11743
S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CCP([O-])(=O)C)[N+]'
p11744
sS'FADH'
p11745
S'CC6(=C(C)C=C5(C(NC1(C(=O)NC(=O)NC=1N(CC(C(O)C(O)COP(OP([O-])(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))=O)([O-])=O)O)5))=C6))'
p11746
sS'QUINOLINE-4-CARBOXYLATE'
p11747
S'C2(=NC1(C=CC=CC=1C(=C2)C([O-])=O))'
p11748
sS'CPD-14173'
p11749
S'C(NC(=O)[O-])NC(=O)N'
p11750
sS'CPD-308'
p11751
S'C([O-])(=O)CCC([N+]C(C(=O)[O-])CCCNC(N)=[N+])C([O-])=O'
p11752
sS'CPD-309'
p11753
S'CC(C([O-])=O)[N+]C(C([O-])=O)CCCNC(N)=[N+]'
p11754
sS'CPD-304'
p11755
S'C[N+]CCCCC([N+])C(=O)[O-]'
p11756
sS'CPD-305'
p11757
S'CC(C(=O)[O-])[N+]CCS(=O)([O-])=O'
p11758
sS'CPD-306'
p11759
S'CC([N+]C(C([O-])=O)CCCC[N+])C([O-])=O'
p11760
sS'CPD-307'
p11761
S'C(CCC(C([O-])=O)[N+])[N+]CCC([O-])=O'
p11762
sS'CPD-301'
p11763
S'C(=O)([O-])CCCCC(O)(C([O-])=O)CC(=O)[O-]'
p11764
sS'CPD-302'
p11765
S'C(C(=O)[O-])C([N+])C(=O)[O-]'
p11766
sS'CPD-303'
p11767
S'C1(CCC(CC1)[N+])'
p11768
sS'THIAMINE'
p11769
S'CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))'
p11770
sS'CPD-18663'
p11771
S'CCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C([O-])=O'
p11772
sS'CPD-18665'
p11773
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(OC(CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1))CC(OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCC)CCCCC(C)C(OC)CC)=O'
p11774
sS'5-3-HYDROXY-4-ACETOXYBUT-1-YNYL-22-B'
p11775
S'CC(=O)OCC(O)C#CC1(=CC=C(S1)C2(=CC=CS2))'
p11776
sS'CPD-11250'
p11777
S'CCC(=CC(CC(=O)C([O-])=O)=O)C([O-])=O'
p11778
sS'CPD-11251'
p11779
S'C([O-])(=O)C(Br)=CC(CC(=O)C([O-])=O)=O'
p11780
sS'PPI'
p11781
S'O=P(O)(OP([O-])([O-])=O)[O-]'
p11782
sS'CPD-11259'
p11783
S'CCC=CCC1(C(CCC1=O)CC(NC(C([O-])=O)C(C)CC)=O)'
p11784
sS'CPD-1701'
p11785
S'COC1(C(O)C(O)C(O)C(O)C(O)1)'
p11786
sS'1-INDANONE'
p11787
S'C1(=CC=C2(C(=C1)CCC2=O))'
p11788
sS'16-OXOSTEROID'
p11789
S'CC34(C(C2(C(C1(C(CC(O)CC1)CC2)C)CC3))CC(=O)C4)'
p11790
sS'CPD-19007'
p11791
S'[CH](=O)CSCCS(=O)(=O)[O-]'
p11792
sS'CPD-19006'
p11793
S'C(CS(=O)(=O)[O-])SCC(Cl)O'
p11794
sS'CPD-19005'
p11795
S'C(O)CSCCS(=O)(=O)[O-]'
p11796
sS'CPD-19004'
p11797
S'C1(OC(Cl)1)'
p11798
sS'CPD-19003'
p11799
S'C1(OC1)'
p11800
sS'CPD-19002'
p11801
S'CC(OCO)=O'
p11802
sS'TESTOLATE'
p11803
S'CC23(CCC(=O)C=C(CC[CH]1([CH](CCC(=O)[O-])C(C)(O)CC[CH]12))3)'
p11804
sS'CPD-9577'
p11805
S'CC(C)C(C(=O)[O-])NC(=O)CC2(=CNC1(C=CC=CC=12))'
p11806
sS'CPD-9573'
p11807
S'C3(=C(CC(NC(CCC(=O)[O-])C([O-])=O)=O)C1(C=CC=CC=1N(C2(C(O)C(O)C(O)C(CO)O2))3))'
p11808
sS'CPD-19009'
p11809
S'C=C(C)C'
p11810
sS'CPD-19008'
p11811
S'C(CS(=O)(=O)[O-])SCC(=O)[O-]'
p11812
sS'CPD-8620'
p11813
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C'
p11814
sS'CPD-3633'
p11815
S'C(CC(C(=O)[O-])[N+])(N)=O'
p11816
sS'CPD66-77'
p11817
S'CCC=CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCC(=O)[O-]'
p11818
sS'CPD-8151'
p11819
S'CC(C(C)O)[N+](=O)[O-]'
p11820
sS'CPD-8157'
p11821
S'CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11822
sS'CPD-8155'
p11823
S'C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=N1)C3(C(C(OC)=O)C(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C(C)C(N=4)=CC=5N6))))))'
p11824
sS'CPD-8158'
p11825
S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11826
sS'CPD-8159'
p11827
S'CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11828
sS'CPD66-79'
p11829
S'CCC=CCC(O)C=CC=CC=CC=CC1(OC(CC=CCCC(=O)[O-])1)'
p11830
sS'CPD66-78'
p11831
S'CCC=CCC(O)C=CC=CCC=CC=CC=CC1(OC1CCC(=O)[O-])'
p11832
sS'METHENYLTETRAHYDROMETHANOPTERIN'
p11833
S'CC4([CH]3(C(C)[N+](C2(C=CC(CC(O)C(O)C(O)COC1(C(O)C(C(COP([O-])(=O)OC(C(=O)[O-])CCC(=O)[O-])O1)O))=CC=2))=CN3C5(C(=O)NC(N)=NC(N4)=5)))'
p11834
sS'CPD-11788'
p11835
S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NC(O)C=2C=34))C6(=C(N5)C=CC=C6)))))'
p11836
sS'CPD-11789'
p11837
S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NCC=2C=34))C6(=C(N5)C=CC=C6)))))'
p11838
sS'3-INDOLEGLYOXAL'
p11839
S'C2(=C(C(=O)C=O)C1(C=CC=CC=1N2))'
p11840
sS'CPD-11782'
p11841
S'C1(OC4(C=C(O)C=CC(C2(=C1C3(C(O2)=CC(O)=CC=3)))=4))'
p11842
sS'CPD-11783'
p11843
S'C3(C(O)=CC(O)=C(C2(=C([O-])C1(C=CC(O)=CC=1OC(=O)2)))C=3)'
p11844
sS'1-PALMITOYLGLYCEROL-3-PHOSPHATE'
p11845
S'CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])[O-]'
p11846
sS'CPD-11786'
p11847
S'C2(NC1(C=CC=CC=1C=2C3(C(=C(C([O-])=O)NC(C([O-])=O)=3)C4(=CNC5(=C4C=CC=C5)))))'
p11848
sS'N-ACETYL-D-GLUCOSAMINYL-POLYRIBITOL-PHO'
p11849
S'CC(=O)NC1(C(O)C(O)C(CO)OC1OCC(O)C(O)C(O)COP([O-])(=O)OC(O)C(O)C(O)C(O)COP([O-])(=O)OC(O)C(O)C(O)C(COP([O-])(=O)O[R1])O)'
p11850
sS'N-HYDROXY-4-AMINOBIPHENYL'
p11851
S'C2(C=CC(C1(C=CC(NO)=CC=1))=CC=2)'
p11852
sS'CPD1G-185'
p11853
S'CC2(=C(N1(N(C(=O)C(C)=C(CSCC(NC(C)=O)C(=O)[O-])1)C(=O)2))C)'
p11854
sS'MEVALONATE'
p11855
S'CC(O)(CCO)CC(=O)[O-]'
p11856
sS'RENILLA-LUCIFERIN'
p11857
S'C1(C=CC(=CC=1)CC4(=C3(N=C(CC2(C=CC=CC=2))C(=O)N3C=C(N4)C5(C=CC(O)=CC=5))))'
p11858
sS'R-NICOTINE'
p11859
S'C1(CC[CH]([N+](C)1)C2(C=NC=CC=2))'
p11860
sS'CPD-6943'
p11861
S'C(CCCCC([O-])=O)[N+]=C(N)N'
p11862
sS'S-PRENYL-L-CYSTEINE'
p11863
S'CC(C)=CCSCC([N+])C(=O)[O-]'
p11864
sS'CPD-6941'
p11865
S'C(CP([O-])(=O)O)Cl'
p11866
sS'CPD-19128'
p11867
S'CC1(=CC(N(CCCC(C(=O)OCCC(C)=CC(N(CCCC(C(=O)OCCC(C)=CC(N(CCCC(C(=O)OCC1)[N+])O)=O)[N+])[O-])=O)N)O)=O)'
p11868
sS'3-4-DIHYDROXYBENZOATE'
p11869
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p11870
sS'CPD-19129'
p11871
S'C[N+]4(C)(CCOC(C1(C=CC(=CC=1)C2(C=CC(=CC=2)C3(C[N+](C)(C)CCO3)(O))))(C4)O)'
p11872
sS'CPD-9227'
p11873
S'CC2(CS[CH]3(C(NC(C([N+])C1(C=CC=CC=1))=O)C(=O)N(C(C([O-])=O)=2)3))'
p11874
sS'VANILLATE'
p11875
S'COC1(=CC(=CC=C(O)1)C(=O)[O-])'
p11876
sS'CPD0-1076'
p11877
S'CCCP([O-])(=O)O'
p11878
sS'10-DEACETYL-2-DEBENZOYLBACCATIN-III'
p11879
S'CC2(=C3(C(O)C(=O)C4(C)(C(O)CC1(OCC(OC(C)=O)1C(C(O)C(O)(CC(O)2)C(C)(C)3)4))))'
p11880
sS'S-HYDROXYMETHYLMYCOTHIOL'
p11881
S'CC(=O)NC(CSCO)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p11882
sS'CPD-9398'
p11883
S'CC(O)C1(O)(C(OC(C(C1)O)O)C)'
p11884
sS'ISOVITEXIN-2-O-B-D-GLUCOSIDE'
p11885
S'C1(C=C(O)C=CC=1C2(=CC(=O)C3(=C(O)C(=C([O-])C=C(O2)3)C5(OC(CO)C(O)C(O)C(OC4(OC(CO)C(O)C(O)C(O)4))5))))'
p11886
sS'3-URACIL-1-YL-L-SERINE'
p11887
S'C(C([N+])C(=O)[O-])N1(C=CC(=O)NC1=O)'
p11888
sS'CPD-9392'
p11889
S'CC4(C(CC(C(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)O4)O)=O)'
p11890
sS'CPD-9391'
p11891
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(O)CC(O)4)'
p11892
sS'CPD-18695'
p11893
S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p11894
sS'INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE'
p11895
S'C4(OC(OC3(C(O)C(O)C(O)C(O)C(OC(=O)CC1(=CNC2(C=CC=CC1=2)))3))C(O)C(O)C(O)4)'
p11896
sS'SEROTONIN'
p11897
S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p11898
sS'CPD-12784'
p11899
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(C([O-])=O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))3))C(O)4))C(O)C(O)5))C)C)C)C)C)C)C'
p11900
sS'CPD-15455'
p11901
S'CC(C)=CCCC(C)(O)[CH]1(CCC6(C)([CH]1C(O)C[CH]5(C(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)OC4(OC(CO)C(C(O)C(OC3(OC(CO)C(C(O)C(O)3)O))4)O))5))6)))'
p11902
sS'CPD-12786'
p11903
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC7(OC(CO)C(OC6(OC(CO)C(O)C(OC5(OC(CO)C(O)C(O)C(OC4(OC(C([O-])=O)C(OC3(OC(COC2(OC(COC1(OC(C)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3))C(O)C(O)4))5))C(O)6))C(O)C(O)7))C)C)C)C)C)C)C'
p11904
sS'CPD-12781'
p11905
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC3(OC(COC(=O)C)C(O)C(O)C(OC2(OC(C([O-])=O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))3))C(O)4))C(O)C(O)5))C)C)C)C)C)C)C'
p11906
sS'CPD-6949'
p11907
S'C=C4(CCC5(C)(CCC2(C)([CH](CC[CH]1(C3(C)(CCC(O)C(C)(C)[CH](CCC(C)12)3)))[CH](C(C)4)5)))'
p11908
sS'CPD-12783'
p11909
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC6(OC(CO)C(OC5(OC(CO)C(O)C(OC4(OC(COC(=O)C)C(O)C(O)C(OC3(OC(C([O-])=O)C(OC1(OC2(COC(C)(C(=O)[O-])OC(C(O)C(O)1)2)))C(O)C(O)3))4))C(O)5))C(O)C(O)6))C)C)C)C)C)C)C'
p11910
sS'CPD-12782'
p11911
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC3(OC(COC(=O)C)C(O)C(O)C(OC2(OC(C([O-])=O)C(OC1(OC(COC(C)=O)C(O)C(O)C(O)1))C(O)C(O)2))3))C(O)4))C(O)C(O)5))C)C)C)C)C)C)C'
p11912
sS'CPD-17360'
p11913
S'C=CC(C)(C)C3(=C(C2(=CC=C1(C(C=CC(C)(C)O1)=C2N3)))C[CH]4(C(N5(CCC[CH](C(N4)=O)5))=O))'
p11914
sS'CPD-17361'
p11915
S'C=CC(C)(C)C14(C(O)(C[CH]2(N1C([CH]3(CCCN(C2=O)3))=O))C6(C(N4)=C5(C(OC(C)(C)C=C5)=CC=6)))'
p11916
sS'CPD-17362'
p11917
S'C=CC(C)(C)C1(C(=O)NC3(C1=CC=C2(C(C=CC(C)(C)O2)=3)))(C[CH]4(NC([CH]5(CCCN(C4=O)5))=O))'
p11918
sS'CPD-12789'
p11919
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(O)C(CO)OC(O)C(O)2))'
p11920
sS'CPD-12788'
p11921
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC7(OC(COC(=O)C)C(OC6(OC(CO)C(O)C(OC5(OC(COC(=O)C)C(O)C(O)C(OC4(OC(C([O-])=O)C(OC3(OC(COC2(OC(COC1(OC(C)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3))C(O)C(O)4))5))C(O)6))C(O)C(O)7))C)C)C)C)C)C)C'
p11922
sS'CPD-17367'
p11923
S'CCCCCC=CCC=CCC=CCC=CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p11924
sS'CPD-10325'
p11925
S'CC(C)C2(C(C)C(CC(C(C)C(C(C)C1(C(C=CC=C(C)CC(C)C(C(C)C=C(C)C=C(C(=O)O1)OC)O)OC))O)(O)O2)O)'
p11926
sS'4-METHYL-824-CHOLESTADIENOL'
p11927
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p11928
sS'CPD-10321'
p11929
S'CCC(C)C1(C(N(C)C(C(N(C)C(C)C(NCCC(=O)OC(CC(C)C)C(N2(CCCC(C(N1)=O)2))=O)=O)=O)C(C)C)=O)'
p11930
sS'CPD-10323'
p11931
S'CC=CC2(C(C)C(CC(C(C)C(C(C)C1(C(C=CC=C(C)CC(C)C(C(CC)C(C(C)C=C(C)C=C(C(=O)O1)OC)O)O)OC))O)(O)O2)OC3(CC(C(C(C)O3)OC(N)=O)O))'
p11932
sS'CPD-10322'
p11933
S'C(=NC1(CCCCC1))=NC2(CCCCC2)'
p11934
sS'METHYL-ACETYLPHOSPHONATE'
p11935
S'CC(P(OC)([O-])=O)=O'
p11936
sS'CPD-4142'
p11937
S'CCC(=C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p11938
sS'CPD-16943'
p11939
S'CCC(C)C(=O)[O-]'
p11940
sS'CPD-16942'
p11941
S'CC(=O)CCC(=O)[O-]'
p11942
sS'N-ACETYLANTHRANILATE'
p11943
S'CC(=O)NC1(C=CC=CC(C(=O)[O-])=1)'
p11944
sS'HYDROXY-UREA'
p11945
S'C(=O)(N)NO'
p11946
sS'CPD-16415'
p11947
S'CC1(C(O)CC(O)C(O)O1)'
p11948
sS'CPD-16946'
p11949
S'CCC(C)(C)C(=O)OC3(CC(O)C=C2(C=CC(C)C(CCC1(CC(O)CC(=O)O1))[CH]23))'
p11950
sS'CPD-16945'
p11951
S'CCC(C)C(=O)OC2(CC(O)C=C1(C=CC(C)C(CCC(CC(O)CC([O-])=O)O)[CH]12))'
p11952
sS'CPD-16944'
p11953
S'CCC(C)C(=O)OC3(CC(O)C=C2(C=CC(C)C(CCC1(CC(O)CC(=O)O1))[CH]23))'
p11954
sS'CPD-4721'
p11955
S'C=C(C2(CC1(C(CC(C=C1C)=O)C)CC2))C'
p11956
sS'CPD-12259'
p11957
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)4))C)C)C)C)C)C'
p11958
sS'CPD-12258'
p11959
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP(OP(OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)'
p11960
sS'2-OXINDOLE-3-ACETIC-ACID'
p11961
S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p11962
sS'CPD-12251'
p11963
S'CC(C)CCCCCCC(NC%13(C(OC1(C9(=CC=CC=1OC2(C=CC(=CC=2Cl)C(C4(C(NC(C(=O)[O-])C%10(C=C(C=C(C(C3(=C(C(=CC(=C3)C(C(N4)=O)NC(CNC(C7(C5(C=C(C=C(C=5)OC6(=C(C=CC(=C6)C(C(NC(C(N7)=O)C(C8(C=CC(=CC=8Cl)O9))O)=O)[N+])O))O)))=O)=O)O)O))=%10)OC%11(C(C(C(C(CO)O%11)O)O)O))O))=O))OC%12(C(C(C(C(CO)O%12)O)O)NC(C)=O)))))OC(CO)C(C%13O)O))=O'
p11964
sS'CPD-15457'
p11965
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)CO1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)O)))C)'
p11966
sS'3-HYDROXY-PROPIONATE'
p11967
S'C(CO)C([O-])=O'
p11968
sS'2-AMINOMUCONATE_SEMIALDEHYDE'
p11969
S'C(C=C(C([O-])=O)N)=C[CH]=O'
p11970
sS'CPD-17094'
p11971
S'C(C1(=C(N=CN1)S))C(C(=O)[O-])[N+]'
p11972
sS'CPD-8858'
p11973
S'C(C(C(C1(C=CC(=C(C=1)O)O))O)[N+])(=O)[O-]'
p11974
sS'CPD-17093'
p11975
S'CC(=C2(C(N1(C([CH]5([CH]([CH]1C2=O)C3(C4(C(NC(=O)3)=CC=CC=4C5))))(C)C))=O))[O-]'
p11976
sS'CPD-7399'
p11977
S'C1(=NC(N)=NC(N1)=O)(N)'
p11978
sS'CPD-7398'
p11979
S'C1(=NC(N)=NC(N)=N1)(N)'
p11980
sS'CPD-7391'
p11981
S'C(C1(OC(C(C(C1O)O)O)OC2(C=C(O)C(=CC=2)C(C=CC3(C=CC(=CC=3)O))=O)))O'
p11982
sS'CPD-7390'
p11983
S'C(C1(OC(C(C(C1O)O)O)OC2(C=C(O)C(=CC=2)C(C=CC3(C=C(C(=CC=3)O)O))=O)))O'
p11984
sS'CPD-7392'
p11985
S'C(O)C4(C(O)C(O)C(O)C(OC2(C=CC3(C(C(=CC1(=CC=C(O)C(O)=C1))OC(C=2)=3)=O)))O4)'
p11986
sS'CPD-15450'
p11987
S'CC(C)=CCCC(C)(OC1(OC(CO)C(C(O)C(O)1)O))[CH]3(CCC4(C5(C)(CC[CH]2(C(C)(CCC(C(C)(C)2)O)[CH](CC(O)[CH]34)5)))(C))'
p11988
sS'CPD-4620'
p11989
S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))COC3(C(C(C(C(O3)CO)O)O)O)'
p11990
sS'CPD-4621'
p11991
S'CC(CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))COC4(C(C(C(C(O4)CO)O)O)O)'
p11992
sS'CPD-4622'
p11993
S'CC(=CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))COC4(C(C(C(C(O4)CO)O)O)O)'
p11994
sS'CPD-12726'
p11995
S'C1(C=C(O)C=CC=1C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p11996
sS'N-CARBAMYL-L-GLUTAMATE'
p11997
S'C(CCC(C(=O)[O-])NC(=O)N)([O-])=O'
p11998
sS'INDOLE-3-GLYOXYLATE'
p11999
S'C2(=C(C(=O)C(=O)[O-])C1(C=CC=CC=1N2))'
p12000
sS'CPD-15452'
p12001
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)OC8(C(O)C(C(O)C(CO)O8)O)))))C)'
p12002
sS'CPD-11801'
p12003
S'C([O-])(=O)C(CS(=O)(=O)[O-])OP([O-])([O-])=O'
p12004
sS'CPD0-2030'
p12005
S'C(O)C(O)COP([O-])(OCC([N+])C(=O)[O-])=O'
p12006
sS'CPD-15453'
p12007
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)CO1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)OC8(C(O)C(C(O)C(CO)O8)O)))))C)'
p12008
sS'CPD0-2038'
p12009
S'C(=O)(O)C=C(F)C(=O)O'
p12010
sS'CPD0-2039'
p12011
S'O[Sb](O)O'
p12012
sS'CPD-15803'
p12013
S'CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(O)CC(=O)CC(=O)CC(=O)CC(SCCNC(=O)CCNC(C(O)C(C)(C)COP(=O)([O-])OCC(N[a'
p12014
sS'CPD-15802'
p12015
S'CC4(CC(C3(=C(C2(C(C1(C(=CC=CC=1C(C=2C=C3C(C(=O)OC)4)=O)O))=O))O))O)O'
p12016
sS'CPD-13128'
p12017
S'CSC#N'
p12018
sS'CPD-13129'
p12019
S'[CH](=O)C(=O)C(O)C(O)C(O)CO'
p12020
sS'CPD-15806'
p12021
S'CC(=O)CC(=O)C1(=C(CC(OC)=O)C=C2(C(=C(O)1)C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))'
p12022
sS'CPD-15805'
p12023
S'CCC(=O)CC(=O)CC(=O)CC(=O)C1(=C(CC(=O)CC(=O)CC([O-])=O)C=CC=C(O)1)'
p12024
sS'CPD-15809'
p12025
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC7(C(C(C)O6)OC8(C(O7)CC(C(C)O8)=O))))[N+](C)C))O)=O)O))=O)))O'
p12026
sS'CPD-13121'
p12027
S'CC1(C(O)C(C(C(O1)O)OC2(OC(=CC(C2O)O)C([O-])=O))O)'
p12028
sS'ALPHA-D-XYLOSYL-1-6-BETA-D-GLUCOS'
p12029
S'C3(OC(OCC2(OC(OC1(C(O)C(O)C(O)OC(CO)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3)'
p12030
sS'O-SINAPOYLGLUCAROLACTONE'
p12031
S'COC1(C(O)=C(OC)C=C(C=1)C=CC(OC(=O)C2(C(C(C(O)C(O2)=O)O)O))=O)'
p12032
sS'1-O-ALKYL-2-ACETYL-SN-GLYCEROL'
p12033
S'CC(=O)OC(CO)CO[R]'
p12034
sS'D-4-HYDROXYPHENYLGLYCINE'
p12035
S'C1(C=C(O)C=CC=1C([N+])C(=O)[O-])'
p12036
sS'CPD-11890'
p12037
S'C2(NC1(C=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p12038
sS'CPD0-2298'
p12039
S'C(NC(N)=O)([N+])C(=O)[O-]'
p12040
sS'CPD-14311'
p12041
S'CC1(CC=C(CC=1)C(C)CC[CH]2(C(C)(O)CC[CH]3(C(C)2CC[CH]4(C(C)3CC[CH]5(C(C)4CCCC(C)(C)5)))))'
p12042
sS'CPD-18327'
p12043
S'CC(C)C3(C(NC(CO)CC2(=CNC1(C=CC=C(C=12)N(C)3)))=O)'
p12044
sS'CPD-18326'
p12045
S'C=CC(C24(C(N1(C(=O)C3(C(NC(=O)[CH]1C2)=CC=CC=3)))NC5(C4=CC=CC=5)))(C)C'
p12046
sS'CPD-18321'
p12047
S'COC2(C=CC1(=C(N=CN1)C=2))'
p12048
sS'CPD-18320'
p12049
S'CC2(=CC=C1(C(N=CN1)=C2))'
p12050
sS'CPD-18323'
p12051
S'CC1(=NC(N)=C2(N=CNC(=N1)2))'
p12052
sS'CPD-14317'
p12053
S'CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p12054
sS'CPD0-2290'
p12055
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])OC1(C(NC(C)=O)C(C(O)C(CO)O1)OC2(OC(C)C(O)C(O)C(OC(=O)C)2))'
p12056
sS'CPD-6443'
p12057
S'C(C1(=CC=CC=C1))(=O)OCC2(C=CC=CC=2)'
p12058
sS'CPD0-2292'
p12059
S'CC(C(=O)NC(C(NC(C(=O)NC(C)C(O)=O)CCCC(C(O)=O)N)=O)CCC(O)=O)NC(=O)C(C)OC2(C(NC(C)=O)C1(OCC(O1)C2OC3(OC(CO)C(O)C(O)C(NC(C)=O)3)))'
p12060
sS'CPD-6441'
p12061
S'COC(C1(C=CC=CC=1))=O'
p12062
sS'CPD-18329'
p12063
S'C=CC1(C)(CCC(C(C)C)(C)C3(C1=C2(C4(C(=CN2)CC(CO)NC(C(C(C)C)N(C)C(C=3)=4)=O))))'
p12064
sS'CPD0-2295'
p12065
S'CCCCCCCCCCCCCC(=O)OC(CC(OC9(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(CCCCCCCCCCC)O)C(O)1))OC(COC8(C(=O)[O-])(OC(C(OC4(C(O)C(OC3(C(O)C(O)C(OP([O-])(=O)[O-])C(C(O)COC2(C(O)C(O)C(O)C(C(O)CO)O2))O3))C(OP([O-])(=O)[O-])C(C(O)CO)O4))C(OC6(C(=O)[O-])(CC(C(OC5(OC(C(O)C(O)C(O)5)C))C(C(O)CO)O6)OC7(C(=O)[O-])(CC(C(O)C(C(O)CO)O7)O)))C8)C(O)CO))C9OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p12066
sS'CPD0-2296'
p12067
S'CC(C(=O)NC(C(=O)O)C)NC(=O)C2(CCCC(C(=O)O)NC(=O)C(C)NC(=O)C5(CCCC(C(=O)O)NC(=O)C(C)NC(=O)C(CCCC(C(=O)O)N)NC(=O)C(CCC(O)=O)NC(=O)C(C)NC(=O)C(C)OC8(C(OC1(C(NC(C)=O)C(O)C(O)C(CO)O1))C(CO)OC(OC7(C(CO)OC(OC6(C(CO)OC(OC4(C(CO)OC(OC3(C(CO)OC=C(NC(=O)C)C(OC(C(NC(C(NC(C(N2)=O)CCC(O)=O)=O)C)=O)C)3))C(NC(=O)C)C(O)4))C(NC(C)=O)C(OC(C(NC(C(=O)NC(C(N5)=O)CCC(O)=O)C)=O)C)6))C(NC(C)=O)C(O)7))C(NC(C)=O)8)))'
p12068
sS'CPD-17957'
p12069
S'CCC(C1(NC(C(NC(=O)C(CCCCCC(=O)CC)NC(=O)C2(N(C1=O)CCCC2))CC3(C4(C(N(OC)C=3)=CC=CC=4)))=O))C'
p12070
sS'CPD-17956'
p12071
S'CC(=CC(=O)OCCCCCCCC(=O)NC2(=C1(SSC=C1NC(=O)2)))CC3(CC(O)C(O)(CC=CC(C(O)C)C)CO3)'
p12072
sS'CPD-17955'
p12073
S'CC(C(=O)C)C=CCC3(CO[CH](C(O)C(=CC(=O)OCCCCCCCC(=O)NC2(=C1(SSC=C1NC(=O)2)))C)C(O)C(O)3)'
p12074
sS'CPD-17954'
p12075
S'CC(C(O)C)C=CCC3(CO[CH](C(O)C(=CC(=O)OCCCCCCCCCC(NC1(C(=O)NC2(C=1SSC=2)))=O)C)C(O)C(O)3)'
p12076
sS'CPD-17953'
p12077
S'CCC(O)C(C)C=CCC3(CO[CH](C(O)C(=CC(=O)OCCCCCCCC(=O)NC2(=C1(SSC=C1NC(=O)2)))C)C(O)C(O)3)'
p12078
sS'CPD-17952'
p12079
S'CC(=CC(OCCCCCCCCCCCCCC(NC1(C(=O)NC2(=CSSC=12)))=O)=O)C[CH]3(C(O)C(O)[CH](CC=CC(C(C)O)C)CO3)'
p12080
sS'ARACHIDIC_ACID'
p12081
S'CCCCCCCCCCCCCCCCCCCC(=O)[O-]'
p12082
sS'CPD-17950'
p12083
S'CC(=CC(OCCCCCCCCCCCCCC(NC1(C(=O)NC2(=CSSC=12)))=O)=O)C(O)[CH]4(C(O)C(O)[CH](CC3(OC(C(C(C)O)C)3))CO4)'
p12084
sS'CPD-17959'
p12085
S'CON4(C5(C(C(CC1(NC(=O)C(CCCCCCO)NC(=O)C3(N(C(C(NC1=O)CC2(C=CC=CC=2))=O)CCCC3)))=C4)=CC=CC=5))'
p12086
sS'CPD-17958'
p12087
S'CON4(C5(C(C(CC1(NC(=O)C(CCCCCC(=O)[O-])NC(=O)C3(N(C(C(NC1=O)CC2(C=CC=CC=2))=O)CCCC3)))=C4)=CC=CC=5))'
p12088
sS'N-FORMYLKYNURENINE'
p12089
S'[CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])'
p12090
sS'PHENANTHRENE-34-DIOL'
p12091
S'C1(C=CC3(=C(C=1)C=CC2(=CC=C(O)C(O)=C23)))'
p12092
sS'CPD-193'
p12093
S'C1(O)(C(O)C(O)C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(O)1)'
p12094
sS'CO+1'
p12095
S'[Co+]'
p12096
sS'CPD-8080'
p12097
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p12098
sS'CPD-14237'
p12099
S'C=CCCCCCCCCCCCCC(C)CC'
p12100
sS'2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-'
p12101
S'CC(C)(COP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(OC1(C(O)C(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)O1))C(O2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(=O)NCCC(=O)NCCS'
p12102
sS'CROTONOBETAINYL-COA'
p12103
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C=CC[N+](C)(C)C)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12104
sS'CPD-9305'
p12105
S'CCC=[S+][O-]'
p12106
sS'CPD-14236'
p12107
S'C=CCCCCCCCCCCCCCC(C)C'
p12108
sS'CPD-12998'
p12109
S'C2([CH]1(CNC4(=C(N1CN2C3(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)=O)C=C3))C(N=C(N)N4)=O)))'
p12110
sS'CPD-195'
p12111
S'CCCCCCCC(=O)[O-]'
p12112
sS'GLUTATHIONE'
p12113
S'C(S)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p12114
sS'N-ACETOXY-4-AMINOBIPHENYL'
p12115
S'CC(ONC2(C=CC(C1(C=CC=CC=1))=CC=2))=O'
p12116
sS'CPD-14235'
p12117
S'C=CCCCCCCCCCCCCCCC(C)C'
p12118
sS'CPD0-1678'
p12119
S'CC(C=O)(C)C'
p12120
sS'CPD-15207'
p12121
S'CC(C)CC2(NC(=O)C(=CC1(=CC=CC=C1))NC(=O)2)'
p12122
sS'CPD0-1673'
p12123
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSCC([O-])=O)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12124
sS'CPD-15206'
p12125
S'CC(C)CC2(NC(=O)C(CC1(=CC=CC=C1))NC(=O)2)'
p12126
sS'CPD-12996'
p12127
S'C2([CH]1(CNC4(=C(N1CN2C3(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)C=C3))C(N=C(N)N4)=O)))'
p12128
sS'CPD0-1675'
p12129
S'CCCC(=O)OCC[N+](C)(C)C'
p12130
sS'CPD-12415'
p12131
S'C1(=CNC2(=C1C=C(O)C(O)=C2C3(=CC6(=C(N3)C=C(O)C(O)=C(C4(=CC5(=C(N4)C=C(O)C(O)=C5)))6))))'
p12132
sS'CPD-12414'
p12133
S'C1(=CNC4(=C1C=C(O)C(O)=C(C2(=CC3(=C(N2)C=C(O)C(O)=C3)))4))'
p12134
sS'CPD-12417'
p12135
S'COC2(=C(O)C(OC)=CC(C=CC(OCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1))=O)=C2)'
p12136
sS'CPD-12997'
p12137
S'C2([CH]1(CNC4(=C(N1CN2C3(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)C=C3))C(N=C(N)N4)=O)))'
p12138
sS'CPD-12411'
p12139
S'C3(=C(NC4(C=C(O)C(O)=C(C1(=C(O)C(O)=CC2(NC(=CC1=2)C(=O)[O-])))C3=4))C(=O)[O-])'
p12140
sS'CPD-12410'
p12141
S'C5(=C(C1(=CC4(=C(N1)C=C(O)C(O)=C(C3(NC2(=C(C=C(O)C(O)=C2)C=3)))4)))NC6(=C5C=C(O)C(O)=C6))'
p12142
sS'CPD-15373'
p12143
S'[CH](=O)C(O)C(O)C(O)C(O)CO'
p12144
sS'CPD-12412'
p12145
S'C3(=C(NC4(C(C1(=C(O)C(O)=CC2(NC(=CC1=2)C(=O)[O-])))=C(O)C(O)=CC3=4))C(=O)[O-])'
p12146
sS'CPD-12418'
p12147
S'C([N+])CC1(=CC(=C(C(O)=C1)O)SCC(C(=O)[O-])[N+])'
p12148
sS'24-DICHLORO-25-DIHYDRO-5-OXOFURAN-2-AC'
p12149
S'C(=O)([O-])CC1(Cl)(OC(=O)C(Cl)=C1)'
p12150
sS'LIMONOATE'
p12151
S'CC5(O[CH](CC(=O)[O-])C4(CO)([CH](CC(=O)C3(C)([CH](CCC(C)(C(O)C1(=COC=C1))C2(OC(C(=O)[O-])2)3)4))5))(C)'
p12152
sS'LL-DIAMINOPIMELATE'
p12153
S'C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O'
p12154
sS'CPD0-1571'
p12155
S'C1(SCNC(C(=O)O)1)'
p12156
sS'CPD-14727'
p12157
S'CCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p12158
sS'CPD-9146'
p12159
S'CC1(C=CC(=CC=1)NO)'
p12160
sS'CPD-9147'
p12161
S'CC1(=CC=C(N)C(O)=C1)'
p12162
sS'CPD0-1716'
p12163
S'CC1(C)(C(CO)=NC2(=C(N1)N=C(N)N=C(O)2))'
p12164
sS'CPD0-1717'
p12165
S'C(N)(=O)C1(=NC2(=C(NC1)N=C(N)N=C(O)2))'
p12166
sS'CPD-9142'
p12167
S'CC1(C(=C(C=CC=1[N+](=O)[O-])O)O)'
p12168
sS'CPD0-1711'
p12169
S'C(O)C1(C(O)C(O)C(O1)N2(C(N=C(N)C([Hg]Cl)=C2)=O))'
p12170
sS'CPD-9140'
p12171
S'CC1(=C(C=CC(=C1)[O-])[N+]([O-])=O)'
p12172
sS'CPD-9493'
p12173
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)=O)C)C)C)(C)COC6(C(C(C(C(O6)CO)O)O)O))O)C))))C'
p12174
sS'CPD0-1718'
p12175
S'C1(=NC2(=C(NC1)N=C(N)NC(=O)2))'
p12176
sS'HYDROXYACETONE-PHOSPHATE'
p12177
S'CC(=O)COP(=O)([O-])[O-]'
p12178
sS'CPD-9148'
p12179
S'CC(=CC=C(C(=O)[O-])N)[CH]=O'
p12180
sS'CPD-9149'
p12181
S'CC1(C=CC(=NC=1)C([O-])=O)'
p12182
sS'3-OXO-6-ACETAMIDOHEXANOATE'
p12183
S'CC(=O)NCCCC(=O)CC(=O)[O-]'
p12184
sS'CPD0-2332'
p12185
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)ONC(C4(=CC=CC(O)=C(O)4))=O'
p12186
sS'ALPHA-METHYLDOPAMINE'
p12187
S'CC(CC1(=CC(=C(C=C1)O)O))[N+]'
p12188
sS'CPD-16774'
p12189
S'C=CC1(C)(C(C(C)=C)CC(C(C)=C)CCC1)'
p12190
sS'CPD-1136'
p12191
S'CC(=C(CC([O-])=O)C([O-])=O)C([O-])=O'
p12192
sS'CPD-1135'
p12193
S'C(C=CO)(=O)[O-]'
p12194
sS'CPD-9729'
p12195
S'CC(=CCCC(C)=CCCC(C)=CCC2(=C(C)C(=O)C1(C=CC=CC=1C(=O)2)))C'
p12196
sS'CPD-1133'
p12197
S'C1(C(C(C(C(C1=O)=O)O)O)O)'
p12198
sS'CPD-16771'
p12199
S'CC2(=CCC(O)C(C)=CC1(OC(=O)C(=C)C1CC2))'
p12200
sS'CPD-16772'
p12201
S'CC2(CCC1(C(OC(=O)C(CSCC(NC(=O)CCCC(=O)O)C(=O)NCC(=O)O)1)C3(OC(C)(CCC=2)3)))'
p12202
sS'CPD-16773'
p12203
S'CC2(CCC1(C(OC(=O)C(CSCC(C(=O)[O-])[N+])1)C3(OC(C)(CCC=2)3)))'
p12204
sS'CPD-9722'
p12205
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C)C'
p12206
sS'CPD-9723'
p12207
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C'
p12208
sS'CPD-9720'
p12209
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p12210
sS'CPD-9721'
p12211
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C)C)C'
p12212
sS'CPD-9726'
p12213
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(=C(C)C(=O)C1(C=CC=CC=1C(=O)2)))C'
p12214
sS'CPD-9727'
p12215
S'C(C(CCCO)=O)(=O)[O-]'
p12216
sS'CPD-9724'
p12217
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p12218
sS'CPD-9725'
p12219
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p12220
sS'CPD-12064'
p12221
S'C1([N+])(C(O)C(O)C(OP([O-])(=O)[O-])C(NC(=[N+])N)C(O)1)'
p12222
sS'CPD-12060'
p12223
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%35(OC(CO)C(OC%34(OC(C)C(OC%33(C(O)C(O)C(C(OC%32(C(O)C(O)C(C(O)COC%31(C(O)C(O)C(C(OC%30(C(O)C(O)C(C(OC1(C(O)C(O)C(CO)O1))COC%29(C(O)C(O)C(C(OC%28(C(O)C(O)C(C(OC2(C(O)C(O)C(CO)O2))COC%27(C(O)C(O)C(C(OC%26(C(O)C(O)C(C(OC3(C(O)C(O)C(CO)O3))COC%25(C(O)C(O)C(C(OC%24(C(O)C(O)C(C(O)COC%23(C(O)C(O)C(C(OC%22(=C([O-])C(O)C(C(O)COC%21(C(O)C(O)C(C(OC%20(C(O)C(O)C(C(O)COC%19(C(O)C(O)C(C(OC%18(C(O)C(O)C(C(O)COC%17(C(O)C(O)C(C(OC%16(C(O)C(O)C(C(O)COC%15(C(O)C(O)C(C(OC%14(C(O)C(O)C(C(O)COC%13(C(O)C(O)C(C(OC%12(C(O)C(O)C(C(O)COC%11(C(O)C(O)C(C(OC%10(C(O)C(O)C(C(O)COC9(C(O)C(O)C(C(OC8(C(O)C(O)C(C(O)COC7(C(O)C(O)C(C(OC6(C(O)C(O)C(C(O)COC5(C(O)C(O)C(C(OC4(C(O)C(O)C(C(O)CO)O4))CO)O5))O6))CO)O7))O8))CO)O9))O%10))CO)O%11))O%12))CO)O%13))O%14))CO)O%15))O%16))CO)O%17))O%18))CO)O%19))O%20))CO)O%21))O%22))CO)O%23))O%24))CO)O%25))O%26))CO)O%27))O%28))CO)O%29))O%30))CO)O%31))O%32))CO)O%33))C(O)C(O)%34))C(O)C(NC(C)=O)%35))C'
p12224
sS'CPD-12061'
p12225
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%80(OC(CO)C(OC%79(OC(C)C(OC%78(C(O)C(O)C(C(OC%77(C(O)C(O)C(C(O)COC%76(C(O)C(O)C(C(OC%75(C(O)C(O)C(C(OC%19(C(O)C(O)C(COC%18(C(O)C(O)C(COC%17(C(O)C(O)C(COC%16(C(O)C(O)C(COC%15(C(O)C(OC8(C(O)C(O)C(COC7(C(O)C(O)C(COC6(C(O)C(OC3(C(O)C(O)C(COC2(C(O)C(O)C(COC1(C(O)C(O)C(CO)O1))O2))O3))C(COC5(C(O)C(O)C(COC4(C(O)C(O)C(CO)O4))O5))O6))O7))O8))C(COC%14(C(O)C(O)C(COC%13(C(O)C(O)C(COC%12(C(O)C(O)C(COC%11(C(O)C(O)C(COC%10(C(O)C(O)C(COC9(C(O)C(O)C(CO)O9))O%10))O%11))O%12))O%13))O%14))O%15))O%16))O%17))O%18))O%19))COC%74(C(O)C(O)C(C(OC%73(C(O)C(O)C(C(OC%38(C(O)C(O)C(COC%37(C(O)C(O)C(COC%36(C(O)C(O)C(COC%35(C(O)C(O)C(COC%34(C(O)C(OC%27(C(O)C(O)C(COC%26(C(O)C(O)C(COC%25(C(O)C(OC%22(C(O)C(O)C(COC%21(C(O)C(O)C(COC%20(C(O)C(O)C(CO)O%20))O%21))O%22))C(COC%24(C(O)C(O)C(COC%23(C(O)C(O)C(CO)O%23))O%24))O%25))O%26))O%27))C(COC%33(C(O)C(O)C(COC%32(C(O)C(O)C(COC%31(C(O)C(O)C(COC%30(C(O)C(O)C(COC%29(C(O)C(O)C(COC%28(C(O)C(O)C(CO)O%28))O%29))O%30))O%31))O%32))O%33))O%34))O%35))O%36))O%37))O%38))COC%72(C(O)C(O)C(C(OC%71(C(O)C(O)C(C(OC%48(C(O)C(O)C(COC%47(C(O)C(O)C(COC%46(C(O)C(O)C(COC%45(C(O)C(O)C(COC%44(C(O)C(O)C(COC%43(C(O)C(O)C(COC%42(C(O)C(O)C(COC%41(C(O)C(O)C(COC%40(C(O)C(O)C(COC%39(C(O)C(O)C(CO)O%39))O%40))O%41))O%42))O%43))O%44))O%45))O%46))O%47))O%48))COC%70(C(O)C(O)C(C(OC%69(C(O)C(O)C(C(O)COC%68(C(O)C(O)C(C(OC%67(=C([O-])C(O)C(C(O)COC%66(C(O)C(O)C(C(OC%65(C(O)C(O)C(C(O)COC%64(C(O)C(O)C(C(OC%63(C(O)C(O)C(C(O)COC%62(C(O)C(O)C(C(OC%61(C(O)C(O)C(C(O)COC%60(C(O)C(O)C(C(OC%59(C(O)C(O)C(C(O)COC%58(C(O)C(O)C(C(OC%57(C(O)C(O)C(C(O)COC%56(C(O)C(O)C(C(OC%55(C(O)C(O)C(C(O)COC%54(C(O)C(O)C(C(OC%53(C(O)C(O)C(C(O)COC%52(C(O)C(O)C(C(OC%51(C(O)C(O)C(C(O)COC%50(C(O)C(O)C(C(OC%49(C(O)C(O)C(C(O)CO)O%49))CO)O%50))O%51))CO)O%52))O%53))CO)O%54))O%55))CO)O%56))O%57))CO)O%58))O%59))CO)O%60))O%61))CO)O%62))O%63))CO)O%64))O%65))CO)O%66))O%67))CO)O%68))O%69))CO)O%70))O%71))CO)O%72))O%73))CO)O%74))O%75))CO)O%76))O%77))CO)O%78))C(O)C(O)%79))C(O)C(NC(C)=O)%80))C'
p12226
sS'CPD-12063'
p12227
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%87(OC(CO)C(OC%86(OC(C)C(OC%85(C(O)C(O)C(C(OC%84(C(O)C(O)C(C(O)COC%83(C(O)C(O)C(C(OC%82(C(O)C(O)C(C(OC%19(C(O)C(O)C(COC%18(C(O)C(O)C(COC%17(C(O)C(O)C(COC%16(C(O)C(O)C(COC%15(C(O)C(OC1(C(O)C(O)C(CO)O1))C(COC%14(C(O)C(O)C(COC%13(C(O)C(O)C(COC%12(C(O)C(O)C(COC%11(C(O)C(O)C(COC%10(C(O)C(O)C(COC9(C(O)C(O)C(COC8(C(O)C(O)C(COC7(C(O)C(O)C(COC6(C(O)C(O)C(COC5(C(O)C(O)C(COC4(C(O)C(O)C(COC3(C(O)C(O)C(COC2(C(O)C(O)C(CO)O2))O3))O4))O5))O6))O7))O8))O9))O%10))O%11))O%12))O%13))O%14))O%15))O%16))O%17))O%18))O%19))COC%81(C(O)C(O)C(C(OC%80(C(O)C(O)C(C(OC%37(C(O)C(O)C(COC%36(C(O)C(O)C(COC%35(C(O)C(O)C(COC%34(C(O)C(O)C(COC%33(C(O)C(O)C(COC%32(C(O)C(O)C(COC%31(C(O)C(O)C(COC%30(C(O)C(O)C(COC%29(C(O)C(O)C(COC%28(C(O)C(O)C(COC%27(C(O)C(O)C(COC%26(C(O)C(O)C(COC%25(C(O)C(O)C(COC%24(C(O)C(O)C(COC%23(C(O)C(O)C(COC%22(C(O)C(O)C(COC%21(C(O)C(O)C(COC%20(C(O)C(O)C(CO)O%20))O%21))O%22))O%23))O%24))O%25))O%26))O%27))O%28))O%29))O%30))O%31))O%32))O%33))O%34))O%35))O%36))O%37))COC%79(C(O)C(O)C(C(OC%78(C(O)C(O)C(C(OC%55(C(O)C(O)C(COC%54(C(O)C(O)C(COC%53(C(O)C(O)C(COC%52(C(O)C(O)C(COC%51(C(O)C(O)C(COC%50(C(O)C(O)C(COC%49(C(O)C(O)C(COC%48(C(O)C(O)C(COC%47(C(O)C(O)C(COC%46(C(O)C(O)C(COC%45(C(O)C(O)C(COC%44(C(O)C(O)C(COC%43(C(O)C(O)C(COC%42(C(O)C(O)C(COC%41(C(O)C(O)C(COC%40(C(O)C(O)C(COC%39(C(O)C(O)C(COC%38(C(O)C(O)C(CO)O%38))O%39))O%40))O%41))O%42))O%43))O%44))O%45))O%46))O%47))O%48))O%49))O%50))O%51))O%52))O%53))O%54))O%55))COC%77(C(O)C(O)C(C(OC%76(C(O)C(O)C(C(O)COC%75(C(O)C(O)C(C(OC%74(=C([O-])C(O)C(C(O)COC%73(C(O)C(O)C(C(OC%72(C(O)C(O)C(C(O)COC%71(C(O)C(O)C(C(OC%70(C(O)C(O)C(C(O)COC%69(C(O)C(O)C(C(OC%68(C(O)C(O)C(C(O)COC%67(C(O)C(O)C(C(OC%66(C(O)C(O)C(C(O)COC%65(C(O)C(O)C(C(OC%64(C(O)C(O)C(C(O)COC%63(C(O)C(O)C(C(OC%62(C(O)C(O)C(C(O)COC%61(C(O)C(O)C(C(OC%60(C(O)C(O)C(C(O)COC%59(C(O)C(O)C(C(OC%58(C(O)C(O)C(C(O)COC%57(C(O)C(O)C(C(OC%56(C(O)C(O)C(C(O)CO)O%56))CO)O%57))O%58))CO)O%59))O%60))CO)O%61))O%62))CO)O%63))O%64))CO)O%65))O%66))CO)O%67))O%68))CO)O%69))O%70))CO)O%71))O%72))CO)O%73))O%74))CO)O%75))O%76))CO)O%77))O%78))CO)O%79))O%80))CO)O%81))O%82))CO)O%83))O%84))CO)O%85))C(O)C(O)%86))C(O)C(NC(C)=O)%87))C'
p12228
sS'DIFORMYLKYNURENINE'
p12229
S'C(=O)NC1(=C(C(=O)CC(NC=O)C(=O)[O-])C=CC=C1)'
p12230
sS'CPD-12068'
p12231
S'CCCCCCCCCCCCCCCCCCCCC(N(O)CCCCC(C(=O)OC(C)CC(NC1(C(N(CCCC1)O)=O))=O)NC(C3(COC(C2(=C(O)C=CC=C2))=N3))=O)=O'
p12232
sS'CPD-12069'
p12233
S'C(CCN(C=O)O)CCC(C(=O)OCCC(NC1(C(N(CCCC1)O)=O))=O)NC(C3(COC(=C2(C=CC=CC2=O))N3))=O'
p12234
sS'4-AMINO-4-DEOXY-THF'
p12235
S'C(NC1(=CC=C(C=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]))C2(CNC3(N=C(N)N=C(N)C(N2)=3))'
p12236
sS'N-ACETYL-GLUTAMYL-P'
p12237
S'CC(=O)NC(C([O-])=O)CCC(=O)OP([O-])(=O)[O-]'
p12238
sS'DIETHYLAMINE'
p12239
S'CC[N+]CC'
p12240
sS'CPD-111'
p12241
S'CC1(=CC=CC(=C1O)O)'
p12242
sS'CPD-110'
p12243
S'C(C1(=CC=CC=C1O))([O-])=O'
p12244
sS'CPD-113'
p12245
S'C[N+]CCCC(=O)C1(=CC=C(O)N=C(O)1)'
p12246
sS'CPD-112'
p12247
S'CC1(=CC=CC(=C1)O)'
p12248
sS'24-DICHLOROPHENOL'
p12249
S'C1(C=C(O)C(Cl)=CC=1Cl)'
p12250
sS'S2O4'
p12251
S'[O-]S(=O)S(=O)[O-]'
p12252
sS'CPD-16572'
p12253
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(OC2OC3(C(C(C(C(O3)CO)O)O)O))CO)O)O)))O'
p12254
sS'3-HYDROXY-N6N6N6-TRIMETHYL-L-LYSINE'
p12255
S'C[N+](CCCC(C(C([O-])=O)[N+])O)(C)C'
p12256
sS'TAXA-42011-DIEN-5A13A-DIOL'
p12257
S'CC1(C(CC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))O)'
p12258
sS'PRPP'
p12259
S'C(OP(=O)([O-])[O-])C1(OC(OP([O-])(=O)OP([O-])(=O)[O-])C(O)C(O)1)'
p12260
sS'CPD-11448'
p12261
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C'
p12262
sS'CPD-11447'
p12263
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)C)C)C)C)C'
p12264
sS'CPD-11446'
p12265
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C=CC=C(C=CC=C(CCCC(O)(C)C)C)C'
p12266
sS'CPD-11445'
p12267
S'C(N2(CC[N+](CCC1(=CC=C(C([O-])=O)C=C1))CC2))C=CC3(=CC=C(Cl)C=C3)'
p12268
sS'CPD-11444'
p12269
S'C(=O)([O-])CCC5(=C4(NC(CC1(NC(=C(CC([O-])=O)C(CCC(=O)[O-])=1)CC2(NC(=C(C(CCC(=O)[O-])=2)CC(=O)[O-])CC3(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N3)C4))))=C(CC(=O)[O-])5))'
p12270
sS'CPD-11442'
p12271
S'CC2(CC(OC(C)=O)[CH]1(C(O)(C(C=O)(C)CC(C)(C)1)[CH](C=O)2))'
p12272
sS'CPD-11441'
p12273
S'CC3(CC[CH]1(C(C)(C)CC2(C)(CC[CH](C(O)12)3)))'
p12274
sS'25-DICHLORO-CISCIS-MUCONATE'
p12275
S'C([O-])(=O)C(Cl)=CC=C(C(=O)[O-])Cl'
p12276
sS'2-FUROATE'
p12277
S'C(C1(OC=CC=1))([O-])=O'
p12278
sS'CPD-16904'
p12279
S'CC3(C=C2(C=CC(C)C(CCC1(OC(=O)CC(O)C1))[CH]2CC3))'
p12280
sS'CPD-17134'
p12281
S'CCC(C)C=C(C)C=CC=CC(=O)C1(C(=O)N([O-])C=C(C([O-])=1)C2(C=CC(O)=CC=2))'
p12282
sS'CPD-8459'
p12283
S'CCCCCCCCCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p12284
sS'CPD-17424'
p12285
S'C(O)CSO'
p12286
sS'CPD-17423'
p12287
S'C(CO)S(=O)CC([N+])C([O-])=O'
p12288
sS'CPD-17422'
p12289
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12290
sS'CPD-17421'
p12291
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p12292
sS'CPD-17132'
p12293
S'CCC(C)C=C(C)C=CC=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2)'
p12294
sS'CPD-8453'
p12295
S'CCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p12296
sS'CPD-8452'
p12297
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCCCCCCC)O)=O'
p12298
sS'CPD-8451'
p12299
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCCCCCC)O)=O'
p12300
sS'CPD-8450'
p12301
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCCCCC)O)=O'
p12302
sS'CPD-8457'
p12303
S'CCCCCCCCCCCCCCCCCCCCCC(C(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O)O'
p12304
sS'CPD-16578'
p12305
S'C([O-])(=O)C(O)C(C(=O)[O-])OC(=O)C=CC1(=CC=C(O)C=C1)'
p12306
sS'CPD-17429'
p12307
S'CC1(C=C(C)C(O)C(O)C=CC(=O)C23(C(C=CC1)C=C(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)C))'
p12308
sS'CPD-17428'
p12309
S'CC1(CCC=CC(=O)C23(C(C=CCC(C)C=1)C=C(C([CH]2C(NC(=O)3)CC4(C5(C(NC=4)=CC=CC=5)))C)C))'
p12310
sS'CPD-13337'
p12311
S'C([O-])(=O)C=CCC(=O)C(=O)[O-]'
p12312
sS'CPD-13335'
p12313
S'C1(=NC=CC(C(=O)[O-])=C1)'
p12314
sS'CPD-16579'
p12315
S'CC(=O)OC(C([O-])=O)C(C(=O)[O-])OC(=O)C=CC1(C=CC(O)=CC=1)'
p12316
sS'CPD-13339'
p12317
S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p12318
sS'CPD-7892'
p12319
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p12320
sS'CPD-6202'
p12321
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(CO)([CH](CC2)3)4)C(=O)[O-]))C([O-])=O)))'
p12322
sS'CPD-7890'
p12323
S'CCCCCC=CCC=CCCCCCCCCCCCCCCCCCCC[CH]=O'
p12324
sS'CPD-7891'
p12325
S'CCCCCCCCCCCCCCCCCCCC(C)=O'
p12326
sS'CPD-7896'
p12327
S'CCCCCCCCCCCCCCCCCC(C)=O'
p12328
sS'CPD-7897'
p12329
S'CCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p12330
sS'CPD-7894'
p12331
S'CCCCCCCCCCCCCCCC(=O)C'
p12332
sS'CPD-7895'
p12333
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p12334
sS'DEAMIDO-NAD'
p12335
S'C(OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(C([N+]1(C=CC=C(C([O-])=O)C=1))O2)O))C3(C(O)C(O)C(O3)N5(C=NC4(C(N)=NC=NC=45)))'
p12336
sS'CPD-7899'
p12337
S'CCCCCCCCCCCCCCCCCCCCCC(C)=O'
p12338
sS'CPD-6483'
p12339
S'C=CCC1(C=CC(=CC=1)O)'
p12340
sS'20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE'
p12341
S'CC7(C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(OC(CO)C(O)C(O)C(O)5)))))OC6(CCC(C)(CO)O6)7))'
p12342
sS'CPD-5724'
p12343
S'CSC2(=NC(N)=NC1(=NC=NC12))'
p12344
sS'CPD-5722'
p12345
S'C1(N=C2(N=C([S-])N=C(N)C(N=1)2))'
p12346
sS'CPD-5723'
p12347
S'CSC1(N=C(N)C2(N=CN=C(N=1)2))'
p12348
sS'CPD-5721'
p12349
S'C1(N=C2(N=C(N)N=C([S-])C(N=1)2))'
p12350
sS'THYMINE'
p12351
S'CC1(C(=O)NC(NC=1)=O)'
p12352
sS'CPD-12212'
p12353
S'C(NC(C=CC1(C=CC(O)=CC=1))=O)CCN(C(C=CC2(C=CC(O)=CC=2))=O)CCCCNC(=O)C=CC3(=CC=C(O)C=C3)'
p12354
sS'FERULOYL-COA'
p12355
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p12356
sS'CPD-8127'
p12357
S'CCC[N+](=O)[O-]'
p12358
sS'UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE'
p12359
S'CC(=O)NC3(C(O)C(OS(=O)(=O)[O-])C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))3)'
p12360
sS'DEMETHYLMENAQUINONE'
p12361
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2))'
p12362
sS'CONIFERYL-ALCOHOL'
p12363
S'COC1(=CC(C=CCO)=CC=C(O)1)'
p12364
sS'DOLICHOL-GROUP'
p12365
S'CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p12366
sS'DEOXYLIMONATE'
p12367
S'CC3(C(C12(COC(CC1OC(C(CC(=O)[O-])2)(C)C)=O))CCC4(C=3CC(OC4C5(C=COC=5))=O)C)'
p12368
sS'CPD-18542'
p12369
S'CC8(CC7(C(=O)OCC(NC(=O)C2(N=C1(C=CC=CC1=CC(O)=2)))C(=O)NC(C)C(=O)N(C)[CH]6(C(SC)SCC(N(C)C(=O)C(C)NC(=O)C(NC(=O)C4(N=C3(C=CC=CC3=CC(O)=4)))COC(=O)C5(CC(C)5)(N(C)C(=O)6))C(=O)N(C)7))8)'
p12370
sS'DEHYDRO-3-DEOXY-L-RHAMNONATE'
p12371
S'CC(O)C(O)CC(=O)C([O-])=O'
p12372
sS'CPD-10800'
p12373
S'CCCCCC(=O)CC(=O)NC(CCO)C(=O)[O-]'
p12374
sS'CPD-7279'
p12375
S'CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O'
p12376
sS'CPD-7274'
p12377
S'CC([CH]3(CC[CH]4([CH]2(C=CC1(=CC(=O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC([O-])=O'
p12378
sS'CPD-7275'
p12379
S'CC(CCC(O)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p12380
sS'CPD-7272'
p12381
S'C2(C(C([O-])=O)NC1(C(CC(C(C=1)=O)=O)=2))'
p12382
sS'CPD-7273'
p12383
S'CC([CH]3(CC[CH]4([CH]2(C(O)CC1(=CC(=O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC([O-])=O'
p12384
sS'CPD-7270'
p12385
S'CC(=O)OCC1(CSC2(C(C(N(C(C(=O)[O-])=1)2)=O)NC(CCCC(=O)[O-])=O))'
p12386
sS'2-S-HYDROXYPROPYL-COM'
p12387
S'CC(O)CSCCS(=O)(=O)[O-]'
p12388
sS'RUTIN'
p12389
S'CC1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OC4(=C(C3(C=C(O)C(O)=CC=3))OC5(=C(C(=O)4)C(O)=CC(O)=C5))))'
p12390
sS'CPD-14819'
p12391
S'CC(O)CCCCCCC=CCCCCCCCC(=O)[O-]'
p12392
sS'CPD-14818'
p12393
S'CCC3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(O)=C(O)C=1)CC[N+]2)))3)C5(C(CC4)=CC(OC)=C(OC)C=5)))'
p12394
sS'13-HYDROXY-MAGNESIUM-PROTOPORP'
p12395
S'C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(C(O)CC(=O)OC)C(N56)=C7))))8))))'
p12396
sS'CPD-14863'
p12397
S'COC4(C(O)=C3(C(=O)C(=C(C2(C(O)=C(OC1(C(C(C(O)C(O1)CO)O)O))C(OC)=CC=2))OC3=CC(OC)=4)OC))'
p12398
sS'CPD-14813'
p12399
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(O)C=C12)))3)O)'
p12400
sS'CPD-18517'
p12401
S'COC1(C=CC(CO)=CC(OC)=1)'
p12402
sS'CPD-14811'
p12403
S'C([O-])(=O)C1(NNCCC1)'
p12404
sS'CPD-14810'
p12405
S'CC4(C=CC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)=CC4)'
p12406
sS'CPD-18512'
p12407
S'CC1(C)(C(OC)C(O)C(O)C(O)O1)'
p12408
sS'CPD-18895'
p12409
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5(=N([Mg]36(N1(=C(C(CC)=C(C=O)C1=CC=2N34)C=C7(C(C)=C8(C(=O)C(C(OC)=O)C5=C(N67)8)))))9))))'
p12410
sS'CPD-14815'
p12411
S'CCC2(C[N+]3(CCC1(=CC(OC)=C(OC)C=C1[CH](CC2CC=O)3)))'
p12412
sS'CPD-14814'
p12413
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(OC)C=C12)))3)O)'
p12414
sS'CPD0-1085'
p12415
S'CC([N+])C(=O)NC(CCC(=O)NC(C(NC(C)C(NC(C)C([O-])=O)=O)=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p12416
sS'CPD0-1086'
p12417
S'C(OP(=O)([O-])CC(C(CCC(N)=O)[N+])=O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p12418
sS'CPD-18894'
p12419
S'C=CC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p12420
sS'CPD0-1080'
p12421
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)[O-])=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C3(COC(C(NC(=O)C)2)O3))'
p12422
sS'CPD0-1081'
p12423
S'CC(C(=O)[O-])OC2(C(NC(=O)C)C1(OCC(O1)C2OC3(OC(CO)C(O)C(O)C(NC(C)=O)3)))'
p12424
sS'CPD0-1082'
p12425
S'CC([N+])C(=O)NC(CCC(=O)NC(C(NC(C)C([O-])=O)=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p12426
sS'CPD0-1083'
p12427
S'C(C(C(C(C(C([O-])=O)O)O)O)O)O'
p12428
sS'CPD-15147'
p12429
S'C(=O)([O-])C=CC1(C(O)=CC(O)=CC=1)'
p12430
sS'CPD-10807'
p12431
S'C=C(O)[CH]=O'
p12432
sS'CPD0-1088'
p12433
S'CC(CCC(NCCC[N+](C)(C)CCCS(=O)(=O)[O-])=O)[CH]4(CC[CH]2(C(C)(C(C[CH]1(C3(C)(CCC(C[CH](CC([CH]12)O)3)O)))O)4))'
p12434
sS'CPD-15143'
p12435
S'COC1(=CC(O)=CC=C1)'
p12436
sS'CPD-15140'
p12437
S'C1(=O)(NC2(C(C=C1)=CC=CC(Cl)=2))'
p12438
sS'CPD-15141'
p12439
S'C(O)C1(OC(CC(O)1)N3(C=NC2(C(N)=NC(Cl)=NC=23)))'
p12440
sS'CPD-10808'
p12441
S'C(C2(C(O)C(O)C(NC1(=C(NC=O)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p12442
sS'3-METHYLBENZYL-ALCOHOL'
p12443
S'CC1(C=C(C=CC=1)CO)'
p12444
sS'CPD-14640'
p12445
S'C=CCC=CCC=CCCCCCCCC1(C(C([O-])=O)=C(O)C=CC=1)'
p12446
sS'CPD-680'
p12447
S'C=C(CC(C([O-])=O)[N+])Cl'
p12448
sS'UNDECAPRENYL-P'
p12449
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])([O-])=O'
p12450
sS'CPD-18890'
p12451
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p12452
sS'ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC'
p12453
S'CC(=O)NC1(C(CC(C(=O)[O-])(O[CH]1C(O)C(O)CO)OCC4(OC(O[R])C(NC(C)=O)C(OC3(OC(CO)C(O)C(OC2(C(=O)[O-])(CC(O)C(NC(C)=O)[CH](O2)C(O)C(O)CO))C(O)3))C(O)4))O)'
p12454
sS'CPD-683'
p12455
S'C3(C=CN(C1(OC2(C(C1O)OP([O-])(OC2)=O)))C(N=3)=O)N'
p12456
sS'CPD-8704'
p12457
S'CCCCCCCCC=CCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p12458
sS'CPD-8703'
p12459
S'CC1(=C(C=C2(N(C3(=NC([N-]C(C(=NC(=C1)2)3)=O)=O))CC(C(C(CO)O)O)O))CN4(C=C(N=C4)CC([N+])C(=O)[O-]))'
p12460
sS'H2SO3'
p12461
S'OS(=O)O'
p12462
sS'CPD-9937'
p12463
S'C2(=CC=C(NC1(=CC=CC=C1))C=C2)'
p12464
sS'CPD-9936'
p12465
S'C[N+]1(C)(CCC4(=C3(C1CC2(C(=C(O)C(OC)=CC=2)C3=C(O)C(OC)=C4))))'
p12466
sS'CPD-9935'
p12467
S'C[N+]1(CCC4(=C3(C1CC2(C(=C(O)C(OC)=CC=2)C3=C(O)C(OC)=C4))))'
p12468
sS'CPD-9934'
p12469
S'CC1(C(O)=C(O)C(OC)=C(O)C=1)'
p12470
sS'CPD-9933'
p12471
S'CC=CC1(C=CC(O)=CC=1)'
p12472
sS'CPD-8701'
p12473
S'C=C3(C1(C2(CCC(C(C(CCC1)(C)C)2)3))C)'
p12474
sS'CPD-9930'
p12475
S'CC=CC1(C=CC(OC)=CC=1)'
p12476
sS'CPD0-2192'
p12477
S'CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)O'
p12478
sS'CPD0-2190'
p12479
S'CC([N+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]'
p12480
sS'CPD0-2197'
p12481
S'CCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)O'
p12482
sS'CPD0-2195'
p12483
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC(COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCCCC)=O)O'
p12484
sS'CPD-9938'
p12485
S'CC1(=NCCC2(=C1NC3(C=C(O)C=CC2=3)))'
p12486
sS'CPD-12880'
p12487
S'CC(C)C1(CCC(C)C2([CH]1C=C(C)CC=2))'
p12488
sS'ACETYL_AMP'
p12489
S'CC(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O'
p12490
sS'CPD-12884'
p12491
S'C=C(C2(CC1(C(CC(C=C1C)O)C)CC2))C'
p12492
sS'CPD-12888'
p12493
S'C=C(C1(CCC(=C2(CCC(C(C1)2)C))C))C'
p12494
sS'CPD-12889'
p12495
S'C(#N)C(O)C1(=CC=C(O)C=C1)'
p12496
sS'PAMIDRONATE'
p12497
S'C(CC(O)(P(=O)([O-])O)P(=O)([O-])O)[N+]'
p12498
sS'CPD-17222'
p12499
S'CC=C1(C(C)C(NC1=CC4(=C(C)C(CCC([O-])=O)=C(C=C2(C(CCC([O-])=O)=C(C)C(=N2)C=C3(C(C)=C(CC)C(=O)N3)))N4))=O)'
p12500
sS'N-CYCLOHEXYLFORMAMIDE'
p12501
S'C(=O)NC1(CCCCC1)'
p12502
sS'CPD-7649'
p12503
S'C1(=C(CC[N+])C=C(OS(=O)(=O)[O-])C(O)=C1)'
p12504
sS'CPD-7648'
p12505
S'CON'
p12506
sS'CPD-4504'
p12507
S'CC(CC1(=CC=C(C=C1)C(C)(C)C))C[N+]2(CC(C)OC(C)C2)'
p12508
sS'CPD-7646'
p12509
S'C(NC(=O)CCC([N+])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p12510
sS'CPD-7644'
p12511
S'C([N+])C1(OC=C(COP([O-])(=O)[O-])C=1)'
p12512
sS'CPD-7643'
p12513
S'C(=O)C1(OC=C(COP([O-])(=O)[O-])C=1)'
p12514
sS'2-AMINOBENZOYL-COA'
p12515
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(C(=CC=CC=1)N))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p12516
sS'CPD-14769'
p12517
S'CCCCCC#CCC#CCC#CCC#CCCCC(=O)[O-]'
p12518
sS'CPD-14768'
p12519
S'C(O)C2(C(OP([O-])(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C(O)C(O)C(O2)OC3(C(O)C(O)C(C(O)C(O)3)OP([O-])(=O)O))'
p12520
sS'APS'
p12521
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O'
p12522
sS'BERGAPTOL'
p12523
S'C2(=CC(=O)OC3(=CC1(OC=CC=1C(=C23)O)))'
p12524
sS'CPD-14760'
p12525
S'CSCC1(=CC=CO1)'
p12526
sS'CPD-14763'
p12527
S'CC(=O)OC1(C(OC(C(O)1)O)COP(=O)([O-])OP([O-])(=O)OCC2(OC(C(O)C2O)N4(C3(=C(C(=NC=N3)N)N=C4))))'
p12528
sS'CPD-14762'
p12529
S'CC(=O)OC1(C(OC(C(O)1)COP(=O)([O-])OP([O-])(=O)OCC2(OC(C(O)C2O)N4(C3(=C(C(=NC=N3)N)N=C4))))O)'
p12530
sS'CPD-14765'
p12531
S'COC1(C(O)=C(OC)C=C(C=1)C=CC(=O)OCCCCCCCCCCCCCCCC([O-])=O)'
p12532
sS'CPD-14764'
p12533
S'CCCCCCCCC(CC(NC1(C(NC(CO)C(NC(C(NC(C(NC(C(NC(C(NC(=CCC)C(NC(C(C(=O)[O-])O)C(NC(C(=O)OC1)C(CCl)O)=O)=O)=O)CC2(C=CC=CC=2))=O)CCC[N+]=C(N)N)=O)CC[N+])=O)CC[N+])=O)=O))=O)O'
p12534
sS'CPD-14767'
p12535
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(C(O)C(O)2)OP([O-])(=O)[O-]))'
p12536
sS'CPD-14766'
p12537
S'CCCCCCCCCCCCCCC(O)[CH]=O'
p12538
sS'CPD-3711'
p12539
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)OP([O-])([O-])=O))O'
p12540
sS'CPD0-2379'
p12541
S'C(CCC[N+]CCCNC(CNC(=O)C(NC(CCC(C(=O)[O-])[N+])=O)CSSCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC(=O)NCCC[N+]CCCC[N+])=O)[N+]'
p12542
sS'CPD-3710'
p12543
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)OP([O-])([O-])=O)O))O'
p12544
sS'CPD0-2377'
p12545
S'CN1(C=NC2(N=C(NC(=O)C1=2)N))'
p12546
sS'CPD0-2376'
p12547
S'CCC2(C1(C=C(C=CC=1N=C3(C=2CN4(C(C5(COC(C(CC)(C(C=C34)=5)O)=O))=O)))OC6(C(C(C(C(C([O-])=O)O6)O)O)O)))'
p12548
sS'CPD0-2375'
p12549
S'C(O)C(O)C([N+])C(=O)[O-]'
p12550
sS'CPD-17559'
p12551
S'COC1(=C([N+]([O-])=O)C=CC=C1)'
p12552
sS'CPD0-2370'
p12553
S'C(C(=O)[O-])NC(=O)C(NC(CCC([N+])C(=O)[O-])=O)CSCC([O-])=O'
p12554
sS'CPDQT-34'
p12555
S'CSCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p12556
sS'CPDQT-35'
p12557
S'CSCCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p12558
sS'CPDQT-36'
p12559
S'C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]'
p12560
sS'CPDQT-37'
p12561
S'CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p12562
sS'CPDQT-30'
p12563
S'CSCCCCCCCC(=O)C([O-])=O'
p12564
sS'CPDQT-31'
p12565
S'C(CC(CCCSC)(O)C(=O)[O-])(=O)[O-]'
p12566
sS'CPDQT-32'
p12567
S'CSCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p12568
sS'CPDQT-33'
p12569
S'CSCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p12570
sS'110-DIHYDRO-110-DIHYDROXYFLUOREN-9-ONE'
p12571
S'C3(=CC=C1(C(C2(=CC=CC(O)C(C(=O)1)(O)2))=C3))'
p12572
sS'CPDQT-38'
p12573
S'CSCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p12574
sS'2-OXOBUT-3-ENANOATE'
p12575
S'C=CC(=O)C(=O)[O-]'
p12576
sS'CPD-8001'
p12577
S'C2(C1([N+]C(C(C(C1)O)O)(C2)O))'
p12578
sS'CPD-13930'
p12579
S'CC(=CN)C(=O)OO'
p12580
sS'CPD-13933'
p12581
S'C1(=CC=C(C=C1)C(C(=O)C2(=CC=CC=C2))O)'
p12582
sS'CPD-13935'
p12583
S'C2(O)(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2)'
p12584
sS'CPD-13937'
p12585
S'CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%13(OC(CO)C(O)C(O)C(OC%12(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%11(OC(CO)C(O)C(O)C(O)%11))))%12))%13))))O)'
p12586
sS'CPD-13936'
p12587
S'CC(=O)NC1(C(OC(CO)C(C(O)1)OC2(OC(CO)C(C(O)C(NC(=O)C)2)OC3(C(O)C(C(O)C(O3)COC6(C(O)C(C(O)C(COC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(CO)O4))5))O6)OC7(C(C(O)C(O)C(CO)O7)OC8(C(O)C(O)C(O)C(CO)O8))))OC%14(OC(CO)C(O)C(O)C(OC%13(OC(CO)C(O)C(O)C(OC9(C(O)C(C(O)C(O9)CO)OC%10(C(O)C(C(O)C(O%10)CO)OC%12(OC(CO)C(O)C(O)C(OC%11(C(O)C(O)C(O)C(CO)O%11))%12))))%13))%14))))O)'
p12588
sS'CPD-13939'
p12589
S'CN1(C(O)(CCC1=O)C(=O)[O-])'
p12590
sS'CPD-4664'
p12591
S'C=C(C1(CC2(C(CCCC(=CC1)2)C)C))C'
p12592
sS'ALPHA-METHYLTRYPTOPHAN'
p12593
S'CC([N+])(C([O-])=O)CC2(C1(C=CC=CC=1NC=2))'
p12594
sS'2-5-DIHYDROXYPYRIDINE'
p12595
S'C1(C(O)=CC=C(O)N=1)'
p12596
sS'CPD-3188'
p12597
S'C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2))'
p12598
sS'CPD-13420'
p12599
S'CCC(C(NC(=O)CC1(CCC(C1CC=CCCO)=O))C([O-])=O)C'
p12600
sS'CPD-3183'
p12601
S'C[N+]2(=CC([CH]1(CCC[N+](C)1))=CC=C2)'
p12602
sS'CPD-3184'
p12603
S'C[N+]2(=CC([CH]1(CCC(=O)N(C)1))=CC=C2)'
p12604
sS'CPD-3185'
p12605
S'C1(=O)(CC[CH](N(C)1)C2(C=N(=O)C=CC=2))'
p12606
sS'CPD-3186'
p12607
S'C1(CC[CH]([N+](C)=1)C2(C=NC=CC=2))'
p12608
sS'CPD-3187'
p12609
S'C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))'
p12610
sS'CPD-9443'
p12611
S'CC(=CCC(COP(=O)([O-])OP(=O)([O-])[O-])C(=C)C)C'
p12612
sS'4-OXALOMESACONATE'
p12613
S'C(=O)([O-])C=C(CC(C([O-])=O)=O)C([O-])=O'
p12614
sS'CPD-9039'
p12615
S'CC3(C4(=CC1(=[N+]6(C(C(C1CCC([O-])=O)(CC(=O)[O-])C)=CC2(N5(C(=C(C=2CC(=O)[O-])CCC(=O)[O-])CC8(N7(C(C=C(C(CCC(=O)[O-])3)N4[Co--]567)=C(C(CCC(=O)[O-])=8)CC([O-])=O))))))))CC(=O)[O-]'
p12616
sS'INDOLE_LACTATE'
p12617
S'C1(=C(CC(C([O-])=O)O)C2(=CC=CC=C(N1)2))'
p12618
sS'CPD-9441'
p12619
S'CC(=CCC(CC1(=C(O)C=C(O)C2(C(=O)CC(OC1=2)C3(=C(C=C(O)C=C3)O))))C(C)=C)C'
p12620
sS'CPD-659'
p12621
S'C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O'
p12622
sS'CPD-13687'
p12623
S'C2(C=CC3(=C(OC1(OC(C(C(C1O)O)O)COC(=O)CC(=O)[O-]))C=CC=C(C=2)3))'
p12624
sS'CPD-13686'
p12625
S'C2(C=CC3(=C(OC1(OC(C(C(C1O)O)O)CO))C=CC=C(C=2)3))'
p12626
sS'CPD-13685'
p12627
S'C1(C=CC2(C=C(C=CC(C=1)=2)OC3(OC(C(C(C3O)O)O)COC(=O)CC(=O)[O-])))'
p12628
sS'CPD-13684'
p12629
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12630
sS'CPD-13683'
p12631
S'C1(C=CC2(C=C(C=CC(C=1)=2)OC3(OC(C(C(C3O)O)O)CO)))'
p12632
sS'CPD-13682'
p12633
S'CC12(C(O)CC[CH]1[CH]5([CH](CC2)C4(C)(C3(OC3C(O)=C(C#N)C4)(CC5))))'
p12634
sS'CPD-13680'
p12635
S'CC13(C(=O)CC[CH]1[CH]2(CCC4(C(C)(C2(O)CC3)C=CC(=O)C=4)))'
p12636
sS'ACETYL-ETCETERA-L-ASPARAGINE'
p12637
S'CC(=O)NC1(C(O)C(O)C(CO)OC(NC(=O)CC([N+])C(=O)[O-])1)'
p12638
sS'L-SORBOSONE'
p12639
S'[CH](=O)C(C(C(C(CO)O)O)O)=O'
p12640
sS'CPD-13688'
p12641
S'CC3(C2(C=CC(OC1(OC(COC(=O)CC(=O)[O-])C(O)C(O)C(O)1))=CC=2OC(=O)C=3))'
p12642
sS'CPD-1722'
p12643
S'CC(C2(CCC(=C1([CH](C=C(CC1)C)2))C))C'
p12644
sS'CPD-19069'
p12645
S'CC(CO)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12646
sS'CPD-19068'
p12647
S'CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12648
sS'CPD-19065'
p12649
S'CC(=O)C(O)O'
p12650
sS'CPD-19064'
p12651
S'CC1(OC(C)1)'
p12652
sS'CPD-19067'
p12653
S'CC(CCCC(C(=O)[O-])C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12654
sS'CPD-19066'
p12655
S'CC(CCCC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p12656
sS'CPD-19060'
p12657
S'CCC(O)(C)CO'
p12658
sS'CPD-19063'
p12659
S'C=CCC'
p12660
sS'L-XYLONATE'
p12661
S'C(=O)([O-])C(O)C(O)C(O)CO'
p12662
sS'CPD-9557'
p12663
S'CC3(C=C(O)C2(C(=O)C1(=C(O)C=C(O)C=C1CC=2C=3)))'
p12664
sS'CPD-9550'
p12665
S'C(C4(OC(OC3(OC(COC2(OC(COC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO)C(C(O)3)O)CO)C(C(O)C4O)O))O'
p12666
sS'S-4-BROMOPHENYL-MERCAPTOPYRUVATE'
p12667
S'C(C(CSC1(C=CC(=CC=1)Br))=O)([O-])=O'
p12668
sS'CPD-9558'
p12669
S'CC1(=CC2(C(C3(=CC(=CC(=C(C(C(C(=C1)O)=2)=O)3)O)O))=C4(C6(=C(C(C5(=C4C=C(C=C5O)C))=O)C(=CC(=C6)O)O))))'
p12670
sS'CPD-8606'
p12671
S'CC(C)CCCC([CH]4(C1(C)(C(C)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p12672
sS'CPD-8607'
p12673
S'CC(C)CCCC([CH]4(C1(C)(C(CO)(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p12674
sS'CPD1F-118'
p12675
S'CC(=CC=CC=C(C=CC=C(C=CC1(=C(CCCC1(C)C)C))C)C)C=CC=C(C=CC2(C(=CCCC2(C)C)C))C'
p12676
sS'CPD1F-119'
p12677
S'CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=CC2(C(=CC(CC2(C)C)O)C))C'
p12678
sS'10-FORMYL-THF'
p12679
S'C2([CH](CN(C=O)C1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))NC3(C(=O)NC(N)=NC(N2)=3))'
p12680
sS'CPD1F-114'
p12681
S'CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p12682
sS'CPD-8609'
p12683
S'CC(C)CCCC([CH]4(C1(C)(C(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))=CC4)))C'
p12684
sS'N-ACETYLD-D-MANNOSAMINE-1P'
p12685
S'CC(NC1(C(O)C(O)C(CO)OC(OP([O-])(=O)[O-])1))=O'
p12686
sS'ALLYL-ALCOHOL'
p12687
S'C=C[CH]O'
p12688
sS'AG+'
p12689
S'[Ag+]'
p12690
sS'CPD-327'
p12691
S'C(O)C1(OC(C(C(C1O)O)=O)O)'
p12692
sS'CPD-324'
p12693
S'C1(C=C2(C(=CC=1)OC3(C(O2)=CC(C(C=3)=O)=O)))'
p12694
sS'CPD-322'
p12695
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSSCC(NC(=O)CCC([N+])C([O-])=O)C(=O)NCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12696
sS'CPD-323'
p12697
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12698
sS'CPD-320'
p12699
S'CC=N(=O)[O-]'
p12700
sS'CPD-321'
p12701
S'C(CC([O-])=O)=[N+]([O-])[O-]'
p12702
sS'AMINO-GROUP'
p12703
S'[C---][N+]'
p12704
sS'CPD-328'
p12705
S'C3(=NC1(=C(N=CN1C2(OC(C=O)C(O)C(O)2))C(=O)N3))'
p12706
sS'ASCORBATE'
p12707
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p12708
sS'CPD-18097'
p12709
S'C1(C=C(O)C(O)=CC=1C=CC(=O)OCC6(OC(OC3(C(=[O+]C2(C(=C([O-])C=C(O)C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))'
p12710
sS'ASPULVINONE-H'
p12711
S'CC(C)=CCC3(C=C(C=C1(C(=C(C(O1)=O)C2(=CC=C(C(=C2)CC=C(C)C)O))[O-]))C=CC=3O)'
p12712
sS'CPD-18767'
p12713
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C4(=CC=C(O)C(N)=C4))=O)([O-])=O'
p12714
sS'OXALYL-COA'
p12715
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C([O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12716
sS'CPD-18093'
p12717
S'C6(C(C5([O+]=C2(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=CC([O-])=C2)=CC(OC4(OC(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))4)CO))=5)))=CC=C(O)C=6)'
p12718
sS'CPD-18092'
p12719
S'C5(C(C4([O+]=C1(C(C([O-])=CC([O-])=C1)=CC(OC3(OC(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))3)CO))=4)))=CC(O)=C(O)C(O)=5)'
p12720
sS'CPD0-1501'
p12721
S'C(=O)([O-])C([N+])CCC(F)C([N+])C(=O)[O-]'
p12722
sS'CPD0-1500'
p12723
S'C=C(CC([N+])C(=O)[O-])CC([N+])C(=O)[O-]'
p12724
sS'CPD0-1502'
p12725
S'C(=O)([O-])C([N+])CCC(Cl)C([N+])C(=O)[O-]'
p12726
sS'CPD-18091'
p12727
S'C5(C(C4([O+]=C1(C(C([O-])=CC([O-])=C1)=CC(OC3(OC(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))3)CO))=4)))=CC=C(O)C=5)'
p12728
sS'CPD0-1507'
p12729
S'COCC(C(=O)[O-])[N+]'
p12730
sS'CPD0-1506'
p12731
S'C(=O)([O-])C(=O)CC(O)C(O)C(O)C(O)O'
p12732
sS'CPD0-1508'
p12733
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=C(I)C(=O)NC(=O)2))'
p12734
sS'HMP'
p12735
S'CC1(N=C(C(=CN=1)CO)N)'
p12736
sS'UDP-AA-GLUTAMATE'
p12737
S'CC(NC(=O)C(C)OC1(C(C(OC(C(O)1)CO)OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))NC(C)=O))C(=O)NC(CCC([O-])=O)C(=O)[O-]'
p12738
sS'CPD-17308'
p12739
S'CC(C=CC=C(C)CCC=C(C)CCCC(C)(O)C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(=O)C(C)(OC)C'
p12740
sS'CPD-17309'
p12741
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C'
p12742
sS'CPD-10901'
p12743
S'C1(NC=NC=1CC(CF)(C(=O)[O-])[N+])'
p12744
sS'CPD-10900'
p12745
S'COC1(=CC(=CC=C(O)1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)))'
p12746
sS'CPD-17304'
p12747
S'CC(C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(OC)C)=CC=CC=C(C)C=CC=C(C)C=CC1(=CC=C(C)C(C)=C(C)1)'
p12748
sS'CPD-10902'
p12749
S'C(=O)([O-])COC1(C=CC=CC=1)'
p12750
sS'CPD-17302'
p12751
S'CC(C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(OC)C)=CC=CC=C(C)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)'
p12752
sS'CPD-10907'
p12753
S'COC(C(CC1(=CN=CN1))N)=O'
p12754
sS'CPD-10906'
p12755
S'CC(CC1(=CNC=N1))(C(=O)[O-])[N+]'
p12756
sS'CPD-10303'
p12757
S'CC(O)C([N+])C([O-])=O'
p12758
sS'CPD-10650'
p12759
S'CC1(C=C(Cl)C(O)=C(O)C=1)'
p12760
sS'CPD-10653'
p12761
S'CC1(=CC(=CC(=O)[O-])OC(=O)1)'
p12762
sS'CPD-10652'
p12763
S'CC1(=CC(OC(=O)1)(Cl)CC([O-])=O)'
p12764
sS'CPD-10307'
p12765
S'CC(C)=CCCC(C)=CCCC(C)(O)[CH]1(CC[CH]2(C(C)1CC[CH]3(C(C)2CCC(O)C(C)(C)3)))'
p12766
sS'CPD-10654'
p12767
S'CC1(C=CC=C(Cl)C=1)'
p12768
sS'CPD-10657'
p12769
S'CC(=CC=CC([O-])=O)C([O-])=O'
p12770
sS'CPD-10656'
p12771
S'CC(C=CC([O-])=O)=CC([O-])=O'
p12772
sS'17-ALPHA-HYDROXYPROGESTERONE'
p12773
S'CC(=O)C1(O)(CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p12774
sS'CPD-10309'
p12775
S'C([O-])(=O)C1(=CC(O)C(O)C(O1)OC3(C(O)C(C(OC2(C(O)C(C(O)OC(C([O-])=O)2)O))OC(C([O-])=O)3)O))'
p12776
sS'CPD-10308'
p12777
S'CC(C)=CCCC1(C)(CC2(C)(C(C)(CC1)[CH]3(C(C)(CC2)[CH]4(C(=CC3)C(C)(C)C(O)CC4))))'
p12778
sS'CPD-16439'
p12779
S'CC1(CC[CH]2([CH]1C(O)OC=C(C(OC)=O)2))'
p12780
sS'CPD-16438'
p12781
S'CC1(C(O)C(C)([N+])CC(O)O1)'
p12782
sS'CPD-16436'
p12783
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(C)([N+])C3)))'
p12784
sS'CPD-16433'
p12785
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(OC)C(C)([N+])C3)))'
p12786
sS'CPD-16432'
p12787
S'CC3(C(C1(C(=C(C)C=C2(C(C8(=C(C(C=12)=O)OC(C)(C(C(C(C(C)C=3)OC(C6(=C(C(=CC(C(NC5(=C([O-])OC4(C=C(C=CC=4C5=O)OC)))=O)=N6)OC7(CC(C)(C(C(C)O7)OC)N(=O)=O))O))=O)O)=O)CN8))=O))[O-]))=O)'
p12788
sS'CPD-16431'
p12789
S'CC1(=CC(=CC(=C1C(=O)OC2(COC5([CH]3([CH]2OCO3))(O[CH]4(COC(C([CH]4O5)O)OC6(C(C(C(C(COC)O6)OC7(C(C(C(C(C)O7)OC)OC8(C(C%13(C)([CH](C(C)O8)OC9(CC(C(C(C)O9)OC%10(CC(C(C(C)O%10)OC(C%11(C(=C(C(=C(C(C)=%11)Cl)O)Cl)OC))=O)OC%12(CC(C)(C(C(C)O%12)OC)[N+](=O)[O-])))O)O%13))O))O))O)OC)))))O)O)'
p12790
sS'CPD-16430'
p12791
S'CC1(C(OC)C(C)(N(=O)=O)CC(O)O1)'
p12792
sS'CPD-4746'
p12793
S'C=C(C2(CC1(C(C(C(CC(CO)1)O)O)C)CC2))C'
p12794
sS'4-AMINO-BUTYRATE'
p12795
S'C(C[N+])CC([O-])=O'
p12796
sS'CPD-4744'
p12797
S'C=C(C2(CC1(C(C(C(CC1C=O)O)O)C)CC2))C'
p12798
sS'CPD-4743'
p12799
S'C=C(C)C1(CCC2(C1)(C(C)CC(O)CC(C=O)2))'
p12800
sS'CPD-4742'
p12801
S'C=C(C2(CC1(C(CC(CC(C=O)1)=O)C)CC2))C'
p12802
sS'CPD-4741'
p12803
S'C=C(C2(CC1(C(CC(C=C1CO)=O)C)CC2))C'
p12804
sS'5-HYDROXYPENTANOYL-COA'
p12805
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12806
sS'S-FORMYCINYLHOMOCYSTEINE'
p12807
S'C(SCCC(N)C(=O)O)C3(C(O)C(O)C(C1(=NNC2(=C1N=CN=C(N)2)))O3)'
p12808
sS'CPD-4748'
p12809
S'CC(CC(=O)[O-])[N+]'
p12810
sS'GLYCOPROTEIN-PHOSPHO-D-MANNOSE'
p12811
S'CC(=O)NC(CC(=O)NC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(COP(=O)([O-])[O-])C(O)C(O)C(O)1))C(O)C(O)2))C(O)C(NC(C)=O)3))C(O)C(NC(C)=O)4))C(N)=O'
p12812
sS'CPD-36'
p12813
S'CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)'
p12814
sS'N-ETHYLMALEIMIDE'
p12815
S'CCN1(C(=O)C=CC(=O)1)'
p12816
sS'CPD0-1151'
p12817
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC%11(C(C(OC(COC%10(C(=O)[O-])(O[CH](C(O)CO)C(OC8(OC(C(O)CO)C(OP([O-])([O-])=O)C(OC7(OC(C(O)COC1(OC(C(O)CO)C(O)C(O)C(O)1))C(OP([O-])(=O)[O-])C(OC6(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(OC5(OC(CO)C(O)C(O)C(OC4(OC(COC3(OC(C(O)CO)C(O)C(O)C(O)3))C(O)C(O)C(O)4))5))C(O)6))C(O)7))C(O)8))C(OC9(O[CH](C(CO)O)C(O)C(O)C9)C(=O)[O-])C%10))C%11OP([O-])([O-])=O)OCC%12(OC(OP(OP([O-])(=O)[O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)%12))NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p12818
sS'L-ARA4N-MODIFIED-KDO2-LIPID-A'
p12819
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])(OC5(C(C(C(CO5)[N+])O)O))=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p12820
sS'METHYLBUT-CPD'
p12821
S'CCC(C)[CH]=O'
p12822
sS'CPD-4602'
p12823
S'CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))C'
p12824
sS'CPD-4603'
p12825
S'CC(=CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))C'
p12826
sS'ALPHA-N-ACETYL-ETCETERA-ESTRADIOL-GLUCUR'
p12827
S'CC(=O)NC6(C(O)C(O)C(CO)OC(OC2(CCC3(C4(CCC1(=CC(=CC=C1C(CCC(C)23)4)OC5(OC(C(=O)[O-])C(O)C(O)C(O)5))))))6)'
p12828
sS'CPD-4607'
p12829
S'C(C1(OC(C(C(C1O)O)O)N2(C3(C(=NC=NC(N=C2)=3)NCC4(C=CC=CC=4)))))O'
p12830
sS'CPD-4604'
p12831
S'C1(N=C(C2(=C(N=1)NC=N2))NCC3(C=CC=CC=3))'
p12832
sS'CPD-4608'
p12833
S'C(C1(OC(C(C(C1O)O)O)N3(C2(N=CN=C(C=2N=C3)NCC4(=CC=CC=C4)))))O'
p12834
sS'CPD-4609'
p12835
S'C1(N=C(C2(=C(N=1)N=CN2))NCC3(=CC=CO3))'
p12836
sS'CPD-12576'
p12837
S'C(OC(CC(C(=O)[O-])(O)CC(=O)[O-])=O)C([N+])C(=O)[O-]'
p12838
sS'DELTA1-PYRROLINE_2-CARBOXYLATE'
p12839
S'C1(CCC(C([O-])=O)=N1)'
p12840
sS'16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON'
p12841
S'CCC15(C=CC[N+]4(CCC2(C3(=CC=C(C=C(NC(C(O)(C1)C(=O)OC)2)3)OC))C45))'
p12842
sS'TAGATOSE-6-PHOSPHATE'
p12843
S'C(C1(OC(C(C1O)O)(O)CO))OP([O-])([O-])=O'
p12844
sS'3-KETO-ADIPATE'
p12845
S'C(=O)([O-])CC(=O)CCC(=O)[O-]'
p12846
sS'N2-SUCCINYLGLUTAMATE'
p12847
S'C(CCC(=O)[O-])(NC(CCC(=O)[O-])C(=O)[O-])=O'
p12848
sS'CPD-14152'
p12849
S'C1(=CC(=N)C(C=C1)=O)'
p12850
sS'CPD-14153'
p12851
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C(O)C(O)3))[N+]))'
p12852
sS'CPD-14150'
p12853
S'CC(C)C1(C=CC=CC(O)=1)'
p12854
sS'CPD-14151'
p12855
S'CC(C)C1(C=CC=C(O)C(O)=1)'
p12856
sS'CPD-14156'
p12857
S'C(=O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p12858
sS'CPD-14157'
p12859
S'C[N+]C2(C(OC1(OC(CO)C([N+])C(O)C(O)1))O[CH]3(CC([N+])C(O[CH](C(O)2)3)OC4(C(O)C(C([N+])CC([N+])4)O)))'
p12860
sS'CPD-14154'
p12861
S'C([N+])C1(C(CC(C(O1)OC2(C(C(C([N+])CC([N+])2)OC3(OC(C(C(C(O)3)[N+])O)CO))O))[N+])O)'
p12862
sS'CPD-14155'
p12863
S'C(=O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p12864
sS'CPD-14158'
p12865
S'C([N+])C1(C(CC(C(O1)OC2(C(C(C([N+])CC([N+])2)OC3(OC(C(C(C(O)3)[N+])O)COC(=O)N))O))[N+])O)'
p12866
sS'CPD-14159'
p12867
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(COC(=O)N)C(O)C([N+])C(O)3))[N+]))'
p12868
sS'RISEDRONATE'
p12869
S'C1(N=CC(=CC=1)CC(O)(P([O-])([O-])=O)P([O-])([O-])=O)'
p12870
sS'TRIS'
p12871
S'C(O)C([N+])(CO)CO'
p12872
sS'ALPHA-METHYL-5-ALPHA-ERGOSTA'
p12873
S'CC(C)C(=C)CCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p12874
sS'SUC-COA'
p12875
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12876
sS'CPD-13100'
p12877
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p12878
sS'CPD-13101'
p12879
S'C(=O)(CCCCCCCCCCCCCCCCCCCCC([O-])=O)[O-]'
p12880
sS'CPD-13105'
p12881
S'C1(OC2(C(O1)=CC(=CC=2)C3(C(=O)C4(=C(OC=3)C=C(C=C(O)4)[O-]))))'
p12882
sS'CPD-13108'
p12883
S'CC3(C=CC=CC=CC=CC=CC=CC=CC(OC1(OC(C)C(O)C([N+])C(O)1))CC2(OC(O)(CC(O)C2C(=O)[O-])CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC3C(C)CC(C)C(O)CC(=O)C4(C=CC(N)=CC=4)))'
p12884
sS'CPD-13109'
p12885
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C=CC(N)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p12886
sS'CPD-18659'
p12887
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)CCCCCCCCCCCCCCCCCCC4(=CC=C(O)C=C4))([O-])=O'
p12888
sS'CPD-18658'
p12889
S'CCC(OC)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p12890
sS'CPD-18309'
p12891
S'CC(C)C(C([O-])=O)NC(=O)C([N+])CNC(=O)C1(OC(C(=O)N)1)'
p12892
sS'CPD-18302'
p12893
S'COC1(C=CC(=CC=1)C2(=C([O-])C(=O)NC3(C2=CC=CC=3)))'
p12894
sS'CPD-18301'
p12895
S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=C(OC)C=C2))3)4))'
p12896
sS'CPD-14483'
p12897
S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CC(C2C(C)3CCC(O)4)=O)CC(C([O-])=O)(C)CC5)C))))'
p12898
sS'CPD-18655'
p12899
S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p12900
sS'CPD-18306'
p12901
S'C(C1(C=C(S([O-])(=O)=O)C=CC=1O))([O-])=O'
p12902
sS'CPD-18657'
p12903
S'C(CCCCCCCCCC(=O)[O-])CCCCCCCCC1(=CC=C(O)C=C1)'
p12904
sS'CPD-18656'
p12905
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p12906
sS'CPD-14376'
p12907
S'C=C(C1(CCC2(C)(C(C1)=C(C)CCC2)))C'
p12908
sS'CPD-14374'
p12909
S'C=C([CH]1(C[CH]2(C(O)(CCCC(CC1)2C)C)))C'
p12910
sS'CPD-17939'
p12911
S'CN1(C2(=CSSC(=C(N)C(=O)1)2))'
p12912
sS'CPD-17938'
p12913
S'CCC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p12914
sS'CPD-14370'
p12915
S'CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(=O)[O-])CC=6C=7))C(O)=8))'
p12916
sS'CPD-14371'
p12917
S'CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(=O)C(=O)C)CC=6C=7))C(O)=8))'
p12918
sS'CPD-17935'
p12919
S'CC(C)C(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p12920
sS'CPD-17934'
p12921
S'CC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p12922
sS'CPD-17937'
p12923
S'CN2(C3(=CSSC(=C(NC(C1(=CC=CC=C1))=O)C(=O)2)3))'
p12924
sS'CPD-17936'
p12925
S'CCCC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p12926
sS'CPD-14378'
p12927
S'C([N+])CC[N+]=CCCC[N+]'
p12928
sS'CPD-17932'
p12929
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C(NC(C)C(=O)NC(C([O-])=O)CCCC(C(NC(C)C([O-])=O)=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R3])C(O)C(NC(=O)C)1))C(CO)OC(C(NC(=O)C)2)O[R2]))=O)C(OC3(OC(CO)C(O[R1])C(O)C(NC(=O)C)3))C(CO)O4))([O-])=O)C)C)C)C)C)C)C'
p12930
sS'6-HYDROXYMELLEIN'
p12931
S'CC2(CC1(=CC(=CC(=C1C(=O)O2)O)O))'
p12932
sS'BUTYRAMIDE'
p12933
S'CCCC(N)=O'
p12934
sS'CPD-12573'
p12935
S'COC1(C=C(C=C(OC)C(OC)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p12936
sS'4-METHYL-UMBELLIFERYL-PHOSPHATE'
p12937
S'CC1(C2(C(OC(=O)C=1)=CC(OP(=O)([O-])[O-])=CC=2))'
p12938
sS'PREGNA-4911-DIENE-320-DIONE'
p12939
S'CC(=O)C2(CCC3(C4(CCC1(=CC(=O)CCC(C)1C(=CCC(C)23)4))))'
p12940
sS'35-DIBROMO-4-HYDROXY-BENZOATE'
p12941
S'C1(C(Br)=C([O-])C(Br)=CC=1C(=O)[O-])'
p12942
sS'CPD-8981'
p12943
S'C(CC(N)=O)[N+]'
p12944
sS'CPD-8980'
p12945
S'CC(NC(C([O-])=O)CC(=O)N)=O'
p12946
sS'CPD-8983'
p12947
S'C1(C([N+](=O)[O-])=CC([N+](=O)[O-])=C(F)C=1)'
p12948
sS'CPD-8982'
p12949
S'C(O)(=O)C(N)CC(=O)NC(C(=O)OC)CC1(C=CC=CC=1)'
p12950
sS'CPD-8985'
p12951
S'C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)'
p12952
sS'CPD-8984'
p12953
S'C3(C=CC(C2(C(C1(C=CC=CC=1))O2))=CC=3)'
p12954
sS'CPD-8987'
p12955
S'CC=C1(CC(C(O)(C)C(=O)OCC2(=CC[N+]3(O)(CCC(OC(=O)1)C23)))C)'
p12956
sS'CPD-8986'
p12957
S'CC=C1(CC(C(O)(C)C(=O)OCC2(=CCN3(CCC(OC(=O)1)C23)))C)'
p12958
sS'CPD-15685'
p12959
S'CCCCCCC=CC=CCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12960
sS'THIABENDAZOLE'
p12961
S'C3(=NC(C1(NC2(C=CC=CC(N=1)=2)))=CS3)'
p12962
sS'CPD-15687'
p12963
S'CCCCCCC=CC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12964
sS'CPD-15686'
p12965
S'CCCCCCC=CC=CCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12966
sS'CPD-15680'
p12967
S'CCCCCCC=CCCCCCCCCC(=O)[O-]'
p12968
sS'CPD-15683'
p12969
S'CCCCCCC=CC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12970
sS'EPYRIDALDOX'
p12971
S'C1(C(C=NO)=CC=CN=1)'
p12972
sS'CPD-15688'
p12973
S'CCCCCCC=CC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p12974
sS'CPD-18407'
p12975
S'C12348([Fe]9%13(S%10([Fe]%111(S[Fe]52(S7([Fe]3(S6([Fe]4(S5[Fe]67)S[Fe]%128(S9[Fe]%10S%11%12)))S%13))))))'
p12976
sS'CPD-7818'
p12977
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)=O'
p12978
sS'TRICHLOROFLUOROETHENE'
p12979
S'C(Cl)(=C(Cl)F)Cl'
p12980
sS'CPD0-2413'
p12981
S'CCCC(=O)OC1(C=CC([N+]([O-])=O)=CC=1)'
p12982
sS'QUERCETIN-337-TRISSULFATE'
p12983
S'C1(C=C(O)C(=CC=1C2(OC3(C=C(C=C(O)C(C(=O)C(OS(=O)(=O)[O-])=2)=3)OS(=O)(=O)[O-])))OS(=O)(=O)[O-])'
p12984
sS'CPD0-2414'
p12985
S'CCC(=O)CO'
p12986
sS'CPD0-1691'
p12987
S'C(OC(=[N+])N)CCC([N+])C(=O)[O-]'
p12988
sS'CPD0-1690'
p12989
S'C(N)(=[N+])CCCCC([N+])C(=O)[O-]'
p12990
sS'CPD0-1692'
p12991
S'CC2(C=C(C)N=C(NC(=O)[N-]S(C1(C=CC=CC(C(OC)=O)=1))(=O)=O)N=2)'
p12992
sS'CPD0-1694'
p12993
S'Cl[Fe]Cl'
p12994
sS'CPD-15353'
p12995
S'CN(C)C1(=C2(C(=NC=N1)N(C=N2)C3(OC(CO)C(C(O)3)NC(=O)C(N)=CC4(C=CC(OC)=C(C=4)O))))'
p12996
sS'CPD-15352'
p12997
S'CC(C(NC3(C(O)C(N2(C=NC1(C(=NC=NC(N(C)C)=1)2)))OC(CO)3))=O)=CC6(=CC=C(OC5(O[CH](C(COC4(OC(C)C(OC)C(OC)C(C)4))=O)C(O)C(O)5))C(=C6)O)'
p12998
sS'CPD-15351'
p12999
S'CC(C(NC2(C(O)[CH]1(OCO[CH]1C(O)C(O)2)))=O)=CC4(=CC=C(OC3(O[CH](C(C)=O)C(O)C(O)3))C(=C4)O)'
p13000
sS'CPD-12430'
p13001
S'CC(CCNC(N)=[N+])C(C(=O)[O-])=O'
p13002
sS'CPD-15425'
p13003
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(COC(=O)N)C(O)C([N+])C(O)3))[N+]))'
p13004
sS'CPD-15424'
p13005
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(=O)N)([O-])=O'
p13006
sS'CPD-12435'
p13007
S'C(=O)([O-])C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(O)OC(C(=O)[O-])2))'
p13008
sS'CPD-15426'
p13009
S'CC1(C)(C(O)C(O)C(O)C(O)O1)'
p13010
sS'S-METHYL-3-PHOSPHO-1-THIO-D-GLYCERATE'
p13011
S'CSC(=O)C(COP([O-])([O-])=O)O'
p13012
sS'N-ISOPROPYLAMMELIDE'
p13013
S'CC(NC1(N=C(O)N=C(N=1)O))C'
p13014
sS'SUCROSE-6P'
p13015
S'C(OP(=O)([O-])[O-])C2(OC(CO)(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2)'
p13016
sS'CPD-14667'
p13017
S'C(C3(C(C(C(N2(C=NC1(=C(N)N=CN=C12)))O3)O)O))OP(=O)([O-])OC9(C(N5(C=NC4(=C(N)N=CN=C45)))OC(COP(=O)([O-])OC8(C(N7(C=NC6(=C(N)[N+]=CN=C67)))OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C8O))C9O)'
p13018
sS'ISOEUGENOL'
p13019
S'CC=CC1(C=CC(=C(C=1)OC)O)'
p13020
sS'CPD-7189'
p13021
S'CC(C)CCC(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p13022
sS'GUANOSINE-5DP-3DP'
p13023
S'C(OP(=O)([O-])OP(=O)(O)[O-])C1(OC(C(O)C(OP(=O)([O-])OP(=O)([O-])[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p13024
sS'LACTOBACILLIC_ACID'
p13025
S'CCCCCCC1(CC(CCCCCCCCCC([O-])=O)1)'
p13026
sS'CPD-9124'
p13027
S'C1(SC2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))'
p13028
sS'CPD-9125'
p13029
S'C1(SC2(C(O)(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))'
p13030
sS'CPD-9127'
p13031
S'C1(=CC(=CC(=C1)[N+](=O)[O-])O)'
p13032
sS'CPD-9122'
p13033
S'CCCCCCCC(NC1(C(N2(C(C(=O)[O-])C(C)(C)S[CH]12))=O))=O'
p13034
sS'CPD-9123'
p13035
S'COC1(NC(=O)CCCC([N+])C(=O)[O-])(C(=O)N2(C(C(=O)[O-])=C(COC(=O)N)CSC12))'
p13036
sS'CPD-12082'
p13037
S'CCC(C)C(NC(C(CC1(C=CC(O)=CC=1))NC(C(NC(C(CCCNC(=N)N)NC(C(CC(O)=O)N)=O)=O)C(C)C)=O)=O)C(=O)NC(CC2(=CNC=N2))C(=O)N3(CCCC3C(=O)NC(C(O)=O)CC4(=CC=CC=C4))'
p13038
sS'2-PYRAZOLINE'
p13039
S'C1(CC=NN1)'
p13040
sS'19-HYDROXYTESTOSTERONE'
p13041
S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(CO)([CH]2CC3)CCC(=O)C=4)))'
p13042
sS'PHOSPHORYL-ETHANOLAMINE'
p13043
S'C(C[N+])OP([O-])([O-])=O'
p13044
sS'CPD-13712'
p13045
S'CC=CC=C(O)C(=O)[O-]'
p13046
sS'CPD0-1052'
p13047
S'CCCCCCCCOC1(OC(C(C(C1NC(C)=O)O)O)CO)'
p13048
sS'P-NITROPHENOL'
p13049
S'C1(C=C([O-])C=CC=1[N+](=O)[O-])'
p13050
sS'4-OH-4-ACETYL-2-OXOGLUTARATE'
p13051
S'C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-]'
p13052
sS'SINAPYL-ALCOHOL'
p13053
S'COC1(C=C(C=CCO)C=C(OC)C(O)=1)'
p13054
sS'INDOLE-3-GLYCOL'
p13055
S'C2(=C(C1(C=CC=CC=1N2))C(O)CO)'
p13056
sS'GLUCONOGAMMALACTONE'
p13057
S'C(O)C(O)[CH]1(OC(=O)C(O)C(O)1)'
p13058
sS'MYO-INOSITOL'
p13059
S'C1(C(C(C(C(C1O)O)O)O)O)O'
p13060
sS'NN-DIMETHYLANILINE'
p13061
S'CN(C1(C=CC=CC=1))C'
p13062
sS'PHLORETATE'
p13063
S'C([O-])(=O)CCC1(C=CC(O)=CC=1)'
p13064
sS'CPD-13749'
p13065
S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC(=O)2))CCC3=CC(=O)CC4))'
p13066
sS'CPD-13742'
p13067
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(=CC(=O)CCC(C)4C(O)(CCC(C)56)7))))'
p13068
sS'CPD-13743'
p13069
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(=CC(=O)C=CC(C)4C(O)(CCC(C)56)7))))'
p13070
sS'CPD-13740'
p13071
S'C(O)C4(C(O)C(OC3(C(OC1(OC(C(=O)[O-])C(O)C(O)C(O)1))C(OC2(C(O)C(O)OC(CO)C(O)2))OC(CO)C(O)3))OC(CO)C(O)4)'
p13072
sS'CPD-13744'
p13073
S'CC(C(=O)[O-])[CH]2(CC[CH]3([CH]4(CCC1(=CC(=O)CCC(C)1C(O)(CCC(C)23)4))))'
p13074
sS'PHYTOL'
p13075
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO'
p13076
sS'CPD-14464'
p13077
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p13078
sS'CPD-178'
p13079
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p13080
sS'CPD-8299'
p13081
S'CCCCCCCCC=CCCCCCCCC(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))COC(=O)CCCCCC=CCCCCCCCC)=O'
p13082
sS'CPD-8298'
p13083
S'CCCCCCCCC=CCCCCCCCC(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))COC(=O)CCCCCCCCCCCCCCC)=O'
p13084
sS'CPD-173'
p13085
S'C(C1(C=CC=CC=1O))O'
p13086
sS'CPD-8294'
p13087
S'CCCCCC=CCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p13088
sS'CPD-8297'
p13089
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p13090
sS'CPD-8296'
p13091
S'CCCCCC=CCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p13092
sS'CPD-8291'
p13093
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(OCC[N+])([O-])=O)=O'
p13094
sS'CPD-176'
p13095
S'C1(C=C(O)C(I)=CC=1OC2(C(I)=CC(=CC(I)=2)CC(=O)C(=O)[O-]))'
p13096
sS'ALPHA-METHYLDOPA'
p13097
S'CC(CC1(C=C(O)C(O)=CC=1))(C(=O)[O-])[N+]'
p13098
sS'CPD-14463'
p13099
S'C([N+]CC(=O)[O-])C1(C=C(C([O-])=O)C=CC(O)=1)'
p13100
sS'CPD-10023'
p13101
S'CSCCC1(C(=O)NC(=O)N1)'
p13102
sS'4-AMINOBUTANOYL-COA'
p13103
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13104
sS'CPD-10020'
p13105
S'C2(=O)(NC(=O)[CH](CC1(C=CC=CC=1))N2)'
p13106
sS'CPD-11425'
p13107
S'CC4(C)(CCCC3([CH](CC[CH]1(CC2(CC1(CCC(O)(C)2)3)))4)C)'
p13108
sS'CPD-11424'
p13109
S'CC(C)=CCCC(C)[CH]1(CCC(C)[CH]2(C1=CC(=C)CC2))'
p13110
sS'CPD-11426'
p13111
S'CC4(C(O)CCC3(C)([CH](CC[CH]1(C[CH]2(C(CO)(O)CCC1(C2)3)))4))(CO)'
p13112
sS'CPD-11421'
p13113
S'CC1(CC[CH]=C(C)C(=O)[CH]=[CH]C(C)(C)C[CH]=1)'
p13114
sS'CPD-11420'
p13115
S'C([O-])(=O)C2(=CC=C1(C(O)=CC=C(O)C1=C2))'
p13116
sS'CPD-11423'
p13117
S'CC(=CCCC(=CCCC(=CCCC(=CCO)C)CO)C)C'
p13118
sS'CPD-11422'
p13119
S'CC1(CCC=C(C)C(O)C=CC(C)(C)CC=1)'
p13120
sS'CPD-1116'
p13121
S'CC(CC(OC(C)CC([O-])=O)=O)O'
p13122
sS'CPD-11429'
p13123
S'CCCC1(NC(=S)NC(=O)C=1)'
p13124
sS'CPD-11428'
p13125
S'C(=O)([O-])C([N+])CC1(C=CC(=CC=1)OC2(C=CC(O)=CC=2))'
p13126
sS'CPD-1113'
p13127
S'C(O)C2(C(C(O)C([N+])C(OC1(C(C(O)C(O)C(O)C1O)OP(=O)([O-])OCC(OC(=O)[R2])COC([R1])=O))O2)O)'
p13128
sS'CPD-1112'
p13129
S'CC1(C(=C(C(=CN=1)CO)C([O-])=O)O)'
p13130
sS'CPD-634'
p13131
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(=O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))'
p13132
sS'CPD-17119'
p13133
S'CN1([CH](CNC2(N=C(NC(=O)C1=2)N))CNC3(=CC=C(C(=O)NC(C([O-])=O)CCC(NC(C([O-])=O)CCC([O-])=O)=O)C=C3))'
p13134
sS'CPD-17118'
p13135
S'C2([CH]1(CNC4(=C(N1CN2C3(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)C=C3))C(N=C(N)N4)=O)))'
p13136
sS'CPD-10796'
p13137
S'C(C=CC1(C(O)=C(O)C=CC=1))(=O)[O-]'
p13138
sS'CPD-143'
p13139
S'C(O[N+](=O)[O-])C(O[N+]([O-])=O)CO[N+](=O)[O-]'
p13140
sS'CPD-17113'
p13141
S'C(NC1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)C=C1))[CH]3(CNC2(=C(C(=O)NC(N)=N2)N([CH]=O)3))'
p13142
sS'CPD0-2250'
p13143
S'C3(C(N2(C=NC1(C(NO)=NC=NC=12)))OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C3O)'
p13144
sS'CPD-17447'
p13145
S'CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p13146
sS'CPD-17110'
p13147
S'C(NC1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)C=C1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3))'
p13148
sS'CPD-17441'
p13149
S'CC=CCCS(=O)CC([N+])C(=O)[O-]'
p13150
sS'CPD-17116'
p13151
S'C2([CH](CN(C=O)C1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)C=C1))NC3(C(=O)NC(N)=NC(N2)=3))'
p13152
sS'CPD-17115'
p13153
S'C2([CH](CN(C=O)C1(=CC=C(C(=O)NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)C=C1))NC3(C(=O)NC(N)=NC(N2)=3))'
p13154
sS'CPD-17442'
p13155
S'CCCCSO'
p13156
sS'CPD-8471'
p13157
S'CCCCCCCCCCCCC(O)C([O-])=O'
p13158
sS'CPD-8470'
p13159
S'CCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)O'
p13160
sS'CPD-8473'
p13161
S'CCCCCCCCCCCCCC(C([O-])=O)O'
p13162
sS'CPD-8472'
p13163
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O'
p13164
sS'CPD-13359'
p13165
S'CC(C(NC(CCC(NC(CCCC(C([O-])=O)[N+])C(NC(C)C([O-])=O)=O)=O)C([O-])=O)=O)NC(C(C)OC1(C(C(O)OC(CO)C1OC2(C(C(C(C(CO)O2)O)O)NC(C)=O))NC(C)=O))=O'
p13166
sS'CPD-8474'
p13167
S'CCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)O'
p13168
sS'CPD-8477'
p13169
S'CCCCCCCCCCCC=CCCCCC([O-])=O'
p13170
sS'CPD-10799'
p13171
S'CCCCCC(CC([O-])=O)=O'
p13172
sS'CPD-8479'
p13173
S'C2(C=C1(C(=O)C3(C(C(=O)C1=CC=2)=CC(C([O-])=O)=CC=3)))'
p13174
sS'CPD-13354'
p13175
S'C(O)C2(C(O)C(O)C(O)C(OCCC1(C=CC(O)=CC=1))O2)'
p13176
sS'CPD-13357'
p13177
S'CC(C)(O)C(O)C(=O)[O-]'
p13178
sS'CPD0-2253'
p13179
S'CCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p13180
sS'CPD-13351'
p13181
S'C3(O)(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3)'
p13182
sS'CPD-13350'
p13183
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])(=O)OC3(OCC([N+])C(O)C(O)3)))'
p13184
sS'CPD-13353'
p13185
S'C([N+])COC=CC([N+])C(=O)[O-]'
p13186
sS'CPD-147'
p13187
S'C(O[N+](=O)[O-])C(O)CO'
p13188
sS'CPD-632'
p13189
S'C=C1(C2(CC3(C1)(C([CH]4(C(C(=O)[O-])(C)C(O)C(=O)C=C([CH](CC2)3)4))C([O-])=O)))'
p13190
sS'UDP-4-AMINO-4-DEOXY-L-ARABINOSE'
p13191
S'C3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C([N+])3)'
p13192
sS'CPD-633'
p13193
S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p13194
sS'N3-ACETYLGENTAMICIN-C'
p13195
S'CC(=O)NC3(CC([N+])C(OC1(OCC(C)(O)C([N+]C)C(O)1))C(O)C(OC2(OC(CCC([N+])2)C([R1])[N+][R2]))3)'
p13196
sS'CPD-7876'
p13197
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p13198
sS'CPD-6442'
p13199
S'COC(C1(C=CC=CC=1O))=O'
p13200
sS'C3'
p13201
S'CC(C(=O)NC(C([O-])=O)C)NC(=O)C(CCCC[N+])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP(OP(OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)'
p13202
sS'C1'
p13203
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP([O-])(OP([O-])(OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))=O)=O)'
p13204
sS'C6'
p13205
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p13206
sS'C5'
p13207
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(O)C(CO)O1))([O-])=O)C)C)C)C)C)C)C'
p13208
sS'C4'
p13209
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(OC(CO)C(O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(NC(CCCC[N+])C(=O)NC(C)C(NC(C(=O)[O-])C)=O)=O)C([O-])=O)C(NC(C)=O)1))([O-])=O)C)C)C)C)C)C)C'
p13210
sS'BENZENE'
p13211
S'C1(C=CC=CC=1)'
p13212
sS'CPD-5744'
p13213
S'CCCCCCC1(C(C(OC(C(C(OC1=O)C)NC(C2(=C(C(=CC=C2)NC=O)O))=O)=O)C)OC(CC(C)C)=O)'
p13214
sS'CPD-5741'
p13215
S'C=C(C)C1(CC2(C(O1)=CC=C5(C=2O[CH]4(COC3(C=C(C(=CC=3[CH]4C5=O)OC)OC)))))'
p13216
sS'CPD-5742'
p13217
S'CCC1(C([N-]C(NC1=O)=O)=O)CCC(C)C'
p13218
sS'PHENYLGLYOXAL'
p13219
S'C1(C=CC(=CC=1)C(=O)C=O)'
p13220
sS'GENTAMICIN-C'
p13221
S'CC3(O)(COC(OC2(C([N+])CC([N+])C(OC1(OC(CCC([N+])1)C([R1])[N+][R2]))C(O)2))C(O)C([N+]C)3)'
p13222
sS'CPD-9669'
p13223
S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)O)O)O))O)O)O))O'
p13224
sS'CPD-16614'
p13225
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(=O)C(=C2)3)=O)C))C'
p13226
sS'CPD-9967'
p13227
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C(N)=C(OC)C(=O)1))C'
p13228
sS'N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY'
p13229
S'CC(C)C(NC(=O)C(NC(=O)CCCC([N+])C(=O)[O-])CS)C(=O)[O-]'
p13230
sS'CPD-8240'
p13231
S'C=C(C)C1(C2(C(C)CC1)(CCC(C)=CC2))'
p13232
sS'CPD-8793'
p13233
S'CC(C)C2([CH]1(C(CCC(C)=C1)=C(C)CC2))'
p13234
sS'SYRINGETIN'
p13235
S'COC1(C=C(C=C(OC)C(O)=1)C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p13236
sS'CPD-10460'
p13237
S'CC2(C([N+](=O)[O-])=CC(NOC1(C(O)C(O)C(O)C(CO)O1))=CC([N+]([O-])=O)=2)'
p13238
sS'CPD-10467'
p13239
S'CCS'
p13240
sS'CPD-7214'
p13241
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p13242
sS'DIACETYLCHITOBIOSE-6-PHOSPHATE'
p13243
S'CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(OC(C(O)C(O)C(NC(=O)C)2)COP([O-])(=O)[O-]))'
p13244
sS'CPD-9667'
p13245
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C=1)'
p13246
sS'CPD0-1540'
p13247
S'C(S(=O)(=O)N)C(N)C(O)=O'
p13248
sS'CPD-18534'
p13249
S'C([O-])(=O)C1(C=NC2(=CC=CC=C(N=1)2))'
p13250
sS'CPD-11842'
p13251
S'[CH](=O)C(C(=O)[O-])=CC=C(C([O-])=O)O'
p13252
sS'CPD-18536'
p13253
S'C([O-])(=O)C1(C(O)=C(O)C2(C=CC=CC(N=1)=2))'
p13254
sS'NONAPRENYL-4-HYDROXYBENZOATE'
p13255
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C)C'
p13256
sS'CPD-18826'
p13257
S'CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p13258
sS'CPD-9665'
p13259
S'C(O)C1(C(O)C(O)C(O)C(=O)C=1)'
p13260
sS'CPD-18532'
p13261
S'C([O-])(=O)C([N+])C(O)C(=O)C1(=C(N)C=CC=C1)'
p13262
sS'CPD-18825'
p13263
S'CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(=O)CCC(C)1[CH](CCC(C)23)4))))'
p13264
sS'CPD-11849'
p13265
S'COC1(=C(O)C2(=C(C=C1)CC4([N+](=C2)CCC3(=CC(OC)=C(O)C=C34))))'
p13266
sS'CPD-9664'
p13267
S'C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)'
p13268
sS'CPD-18538'
p13269
S'C2(NC1(C=CC=CC=1C=2C(O)C(C(=O)[O-])[N+]))'
p13270
sS'CPD-18539'
p13271
S'[CH](=O)NC1(C=CC=CC=1C(=O)C(O)C([N+])C(=O)[O-])'
p13272
sS'ADP-L-GLYCERO-D-MANNO-HEPTOSE'
p13273
S'C(C([CH]4(OC(OP(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)(=O)[O-])C(C(C4O)O)O))O)O'
p13274
sS'CPD-15163'
p13275
S'C#CC=O'
p13276
sS'CPD-18798'
p13277
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)[O-]'
p13278
sS'CPD-12855'
p13279
S'C1(N)(C=CN(C(=O)N=1)C2(OC(C(O)C(O)2)COP([O-])(=O)OP(OC3(C(O)C(O)C(O)C(O)C(O)3))([O-])=O))'
p13280
sS'CPD-9919'
p13281
S'C=CC1(C)(C[CH]2(C(=CC1)C3(CCCC(C)(C)[CH](CC2)3)(C)))'
p13282
sS'CPD-12586'
p13283
S'CC(C)=CCCC(=CCCC(C)=CC(=O)OC)C'
p13284
sS'CPD-9915'
p13285
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p13286
sS'CPD-18791'
p13287
S'C2(=C(CO)C(C(C(C(NC1(C=C(CO)C(C(C1O)O)O))2)O)O)O)'
p13288
sS'CPD-9917'
p13289
S'CCC(C)CCCCCCCCCCC(=O)[O-]'
p13290
sS'CPD-9916'
p13291
S'CCC(C)CCCCCCCCCCC(=O)OCC1(C(O)C(O)C(O)C(O1)OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C)'
p13292
sS'CPD-9911'
p13293
S'CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p13294
sS'CPD-12857'
p13295
S'C2(O)(C(O)C(O)C(OP([O-])(OC1(C(O)C(O)C(O)C(O)C(O)1))=O)C(O)C(O)2)'
p13296
sS'CPD-9913'
p13297
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C([O-])=O'
p13298
sS'CPD-9912'
p13299
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O'
p13300
sS'CPD0-2171'
p13301
S'CCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p13302
sS'CPD0-2173'
p13303
S'CCCCCCCCCCCCCC(=O)OC(CO)COP(OCC(CO)O)([O-])=O'
p13304
sS'CPD0-2177'
p13305
S'CCCCCCCCCCCCCCCC(OC(COP(OCC[N+])([O-])=O)CO)=O'
p13306
sS'CPD0-2178'
p13307
S'CCCCCCCCCCCC(OC(COP(OCC[N+])([O-])=O)CO)=O'
p13308
sS'CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE'
p13309
S'CC1(=CC(O)C(C=C1)(O)C([O-])=O)'
p13310
sS'CPD-12850'
p13311
S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(O)CCC2(CC12CCC(C)34)5))))'
p13312
sS'CPD-12581'
p13313
S'CC(C)=CCCC(C)=CCCC(C)=CCSCC([N+])C([O-])=O'
p13314
sS'CPD-12852'
p13315
S'CC(C)=CCCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p13316
sS'CPD-7665'
p13317
S'COC1(=CC=C(CC[N+])C=C(O)1)'
p13318
sS'CPD-7664'
p13319
S'CC2(=CC=C(C(C1(=CC(=C(C(=C1)O)O)[N+](=O)[O-]))=O)C=C2)'
p13320
sS'CPD-7667'
p13321
S'C(C1(C=CC(=C(C=1)O)O))[N+]'
p13322
sS'CPD-7666'
p13323
S'C(CC1(C(=CC(=C(C=1)O)O)O))[N+]'
p13324
sS'CPD-7661'
p13325
S'CC(CC1(C=C(C(=CC=1)O)O))C(CC2(C=C(C(=CC=2)O)O))C'
p13326
sS'CPD-7663'
p13327
S'CC(C(=CC1(C=C(C(=C(C=1)[N+](=O)[O-])O)O))C(C)=O)=O'
p13328
sS'CPD-7662'
p13329
S'CCN(CC)C(=O)C(C#N)=CC1(=CC(O)=C(O)C([N+]([O-])=O)=C1)'
p13330
sS'CPD-18206'
p13331
S'CC=C2(C(=O)NC(C(C)C)C(=O)OC1(C=CCCSSCC(NC(=O)C(NC(=O)C1)C(C)C)C(=O)N2))'
p13332
sS'CPD-12768'
p13333
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))C)C)C)C)C)C)C'
p13334
sS'CPD-7669'
p13335
S'CC(NC1(C=CC(=CC=1)O))=O'
p13336
sS'CPD-7668'
p13337
S'C2(N(C1(C=C(N(C(N=1)=N)O)N))CCCC2)'
p13338
sS'CPD-14786'
p13339
S'C(OP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)C3(OC(O)(CO)C(O)C(O)3)'
p13340
sS'CPD-6886'
p13341
S'C2(C1(C(=O)C3(=C(O)C=C([O-])C=C(OC=1C(O)=C(O)C=2)3)))'
p13342
sS'ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND'
p13343
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))O)NC(C)=O))C)C)C)C)C)C)C'
p13344
sS'CPD-14969'
p13345
S'COC1(=CC(=CC=C(O)1)C3(OC4(C(C(=O)C(OC2(C(C(C(O)C(O2)CO)O)O))=3)=C(O)C=C(O)C=4)))'
p13346
sS'CPD-14746'
p13347
S'C(C1(C=CC=CC=1))(S)=O'
p13348
sS'CPD-18205'
p13349
S'CCCCCC1(OC(=C(C)C=1)CCCCCCCCC(=O)[O-])'
p13350
sS'CPD-14743'
p13351
S'CC1(=CC2(C(N=C1O)=CC=CC=2))'
p13352
sS'CPD-14742'
p13353
S'C=CC(OC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O))(C)CCC=C(C)C'
p13354
sS'CPD-14741'
p13355
S'C2(OC1(=CC(=C(O)C=C1O2)[CH]3([CH](C4(C=CC(=CC(OC3)=4)O))O)))'
p13356
sS'CPD-14740'
p13357
S'C3(C=C(C1(C(C2(C=CC(=CC(OC1)=2)O))O))C(=CC=3O)O)'
p13358
sS'CPD-7368'
p13359
S'C(C1(C=CC(=C(C=1)[N+](=O)[O-])O))=O'
p13360
sS'CPD-18208'
p13361
S'CC2(C1(C(=O)C3(C(OC=1C=C(O)C=2)=CC4(C=C(O)C=C(O)C(C(O)=3)=4))))'
p13362
sS'CPD-8647'
p13363
S'CC(CCC1(=CC=C(C=C1)O))=O'
p13364
sS'CPD-2222'
p13365
S'C1(C(CC(C([O-])=O)O)=CC=C(C=1)O)'
p13366
sS'DIMETHYLSUBERIMIDATE'
p13367
S'COC(=N)CCCCCCC(=N)OC'
p13368
sS'CPD-13914'
p13369
S'C(O)C1(OC(=O)C(=O)OC(C(=O)[O-])1)'
p13370
sS'CPD-13913'
p13371
S'C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)'
p13372
sS'CPD-13912'
p13373
S'C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O'
p13374
sS'CPD-13911'
p13375
S'C(=O)([O-])C(O)C(O)COC(=O)C(=O)[O-]'
p13376
sS'CPD-13910'
p13377
S'C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1)'
p13378
sS'CPD-13918'
p13379
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p13380
sS'D-THREONINE'
p13381
S'CC(O)C([N+])C(=O)[O-]'
p13382
sS'5-HYDROXY-FERULIC-ACID'
p13383
S'COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)'
p13384
sS'L-RHAMNONO-14-LACTONE'
p13385
S'CC([CH]1(C(C(O)C(O1)=O)O))O'
p13386
sS'CPD-10240'
p13387
S'CC1(C(O)C(C)C(O)C(C)C4(OC(O)C(C=C(C(=O)C3(=C(O)C(=C(O)C2(=C(C(=O)C=C(NC(=O)C(C)=CC=C1)C(=O)2)3))C))C)C(O)C(C)4))'
p13388
sS'C55-PP-GLCNAC-MANNACA'
p13389
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(C(=O)[O-])C(O)C(O)C(NC(C)=O)1))C(O)C(NC(C)=O)2))C)C)C)C)C)C)C'
p13390
sS'CPD-8429'
p13391
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCC)=O)O'
p13392
sS'CPD-11218'
p13393
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=C(Br)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p13394
sS'CPD-11219'
p13395
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=C(I)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p13396
sS'CPD-11214'
p13397
S'C(C1(C=CC(=CC=1)I))([O-])=O'
p13398
sS'CPD-11213'
p13399
S'C(C1(C=CC(=CC=1)Br))([O-])=O'
p13400
sS'CPD-11210'
p13401
S'C(Cl)(=O)C=CC=C(O)C(=O)[O-]'
p13402
sS'CPD-15'
p13403
S'C1(=C(C(C=C(Cl)C(Cl)1)Cl)Cl)'
p13404
sS'CPD-19042'
p13405
S'CC(O)(C)C(=O)N'
p13406
sS'CPD-17'
p13407
S'C1(C(=O)CC(O)CC=1O)'
p13408
sS'CPD-19040'
p13409
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)(C)C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13410
sS'CPD-11'
p13411
S'CC3(NC1(N=C(N)NC(=O)C=1[N+]2(=CN(C(C)[CH]23)C5(=CC=C(CC(C(C(COC4(C(C(C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C([O-])=O)=O)CCC([O-])=O)O4)O)O))O)O)O)C=C5))))'
p13412
sS'CPD-19046'
p13413
S'CC=CC'
p13414
sS'CPD-13'
p13415
S'C1(C=C(C=CC=1[N+]([O-])=O)OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))'
p13416
sS'CPD-19044'
p13417
S'CC(C)(C)O[CH]=O'
p13418
sS'CPD-19049'
p13419
S'CCC(C)C(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)OC(=O)C))=O'
p13420
sS'CPD-19048'
p13421
S'CCC(C)C(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p13422
sS'CPD-19'
p13423
S'CC(CC(CC(=O)[O-])O)=O'
p13424
sS'CPD-18'
p13425
S'CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13426
sS'CPD-16472'
p13427
S'CC(=O)NC4(C(OC2(C(O)C(OC1(C(O)C(O)C(O)OC(CO)1))OC(CO)C(O)2))OC(CO)C(OC3(OC(CO)C(O)C(O)C(O)3))C(O)4)'
p13428
sS'CPD-7225'
p13429
S'CC(=O)NC(C(=O)[O-])CCCNC(=O)CP(O)(=O)[O-]'
p13430
sS'CPD-8963'
p13431
S'CCOP(=S)(OCC)OC1(=NC(Cl)=C(Cl)C=C(Cl)1)'
p13432
sS'METHYL-EPOXYTRIDECADIENOATE'
p13433
S'CCC1(C)(OC(CCC(C)=CCCC(C)=CC(=O)OC)1)'
p13434
sS'7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID'
p13435
S'C(CC2(C(=O)NC1(=C(O)C=CC=C12)))([O-])=O'
p13436
sS'CPD1F-130'
p13437
S'CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C(C=CC2(=C(CC(CC(C)(C)2)O)C))C)C'
p13438
sS'CPD1F-131'
p13439
S'CC(=CC=CC=C(C=CC=C(C=CC12(C(CC(CC1(C)O2)O)(C)C))C)C)C=CC=C(C=CC3(=C(CC(CC3(C)C)O)C))C'
p13440
sS'CPD1F-132'
p13441
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))'
p13442
sS'CPD1F-133'
p13443
S'CC(=CC=CC=C(C=CC=C(C)C=CC12(C(C)(C)CC(O)CC(O1)(C)2))C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4)'
p13444
sS'CPD1F-134'
p13445
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p13446
sS'CPD1F-136'
p13447
S'C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))'
p13448
sS'CPD1F-137'
p13449
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p13450
sS'CPD1F-138'
p13451
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C=O)))'
p13452
sS'CPD1F-139'
p13453
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p13454
sS'CPD-8960'
p13455
S'COC1(C=C(C=C(OC)C=1OC)C2([CH]5(C(=O)OC[CH](CC3(C(O)=C4(OCOC(=CC2=3)4)))5)))'
p13456
sS'CPD-9801'
p13457
S'CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p13458
sS'CPD-8427'
p13459
S'CCCCCCCCCC=CCCC=CC(O)C([N+])CO'
p13460
sS'18-HYDROXYCORTICOSTERONE'
p13461
S'CC24(CCC(=O)C=C(CC[CH]1([CH]3(CCC(C(=O)CO)C(CO)(CC(O)[CH]12)3)))4)'
p13462
sS'TAXUYUNNANIN-C'
p13463
S'CC1(CC(OC(C)=O)C2(C(OC(C)=O)C3(C(=C)C(CCC(C)(CC(OC(C)=O)C=1C(C)(C)2)3)OC(C)=O)))'
p13464
sS'CPD-18813'
p13465
S'CC(C)C(O)CCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C=C4(C(C)3CCC(O)C4))))'
p13466
sS'23-PENTANEDIONE'
p13467
S'CCC(=O)C(=O)C'
p13468
sS'CPD-9804'
p13469
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p13470
sS'CPD-14319'
p13471
S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC(O)=C5)))))'
p13472
sS'CPD-341'
p13473
S'C2(=C(CCO)C1(C=CC=CC=1N2))'
p13474
sS'CPD-342'
p13475
S'CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)'
p13476
sS'CPD-343'
p13477
S'C(C(C(CC(C([O-])=O)=O)O)=O)O'
p13478
sS'CPD-7227'
p13479
S'C1(CC(C([O-])=O)[N+]1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p13480
sS'CPD-345'
p13481
S'CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CC(=O)C(C)23)4))))'
p13482
sS'CPD-346'
p13483
S'CC(C(C)O)O'
p13484
sS'CPD-347'
p13485
S'C(CCO)O'
p13486
sS'CPD-348'
p13487
S'CCCCCCCCCCCCCCCCO'
p13488
sS'CPD-349'
p13489
S'C([O-])(=O)CCCCCCS'
p13490
sS'R-COCLAURINE'
p13491
S'C3(CC1(=CC(OC)=C(O)C=C1C(CC2(=CC=C(O)C=C2))[N+]3))'
p13492
sS'3-NITROBENZALDEHYDE'
p13493
S'C(C1(=CC(=CC=C1)[N+]([O-])=O))=O'
p13494
sS'SUC'
p13495
S'C(C([O-])=O)CC([O-])=O'
p13496
sS'--bornyl-diphosphate'
p13497
S'CC2(C1(CCC(C(C1)OP(OP([O-])([O-])=O)([O-])=O)2C))C'
p13498
sS'5-PHOSPHONOOXY-L-LYSINE'
p13499
S'C(CC([N+])C(=O)[O-])C(C[N+])OP(=O)([O-])[O-]'
p13500
sS'EHNA'
p13501
S'CCCCCCC(C(C)O)N1(C=NC2(=C1N=CN=C2N))'
p13502
sS'PHORBOL-1213-DIBUTANOATE'
p13503
S'CCCC(=O)OC2(C(C)C1(O)([CH]4(C=C(C(=O)C(O)(CC(CO)=C[CH]1[CH]3(C(C)(C)C(OC(CCC)=O)23))4)C)))'
p13504
sS'D-MANNOSYL-RHAMNOSYL-ETCETERA'
p13505
S'CC2(C(C(C(C(OC1(C(OC(C(C1O)O)OP(OP(OCC(OC([R1])=O)COC([R1])=O)(O)=O)(O)=O)CO))O2)O)O)OC3(C(C(C(C(O3)CO)O)O)O))'
p13506
sS'CPD-16633'
p13507
S'C3(C=C(O)C1(=C(C(=O)NC2(C(N1)=C(O)C=C(O)C=2))C=3))'
p13508
sS'CPD-16632'
p13509
S'CC(C)=CCCC(C)=CCCC(C)=CCN1(C(=O)C3(=C(NC2(C1=CC(O)=CC(O)=2))C(O)=CC=C3))'
p13510
sS'CPD-16635'
p13511
S'C2(C=C(O)C1(C=CC(O)=CC=1C=2))'
p13512
sS'CPD-16634'
p13513
S'C3(C=CC1(=C(C(=O)NC2(C(N1)=CC=CC=2))C=3))'
p13514
sS'CPD-16637'
p13515
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)OC)=O)))OC5(C(OC)C(C(C(C)O5)OC)OC))'
p13516
sS'CPD-16636'
p13517
S'C2(=CC(O)=CC1(C=C(O)C=CC=12))'
p13518
sS'CPD-16639'
p13519
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))OC5(C(OC)C(C(C(C)O5)O)OC))'
p13520
sS'CPD-16638'
p13521
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(=C12)O)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))OC5(C(OC)C(C(C(C)O5)OC)OC))'
p13522
sS'CPD-16183'
p13523
S'C1(C=CC(=CC=1)C(NC2(=C3(C(=NC=N2)N=CN3)))=O)'
p13524
sS'CPD-16182'
p13525
S'C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(=O)[O-]'
p13526
sS'CPD-16181'
p13527
S'CC(=O)NC2(C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(CO)OC(O)2)'
p13528
sS'CPD-16180'
p13529
S'C(O)C1(OC(C(O)C(O)C(O[R1])1)OC4(C(CO)OC(OC3(C(CO)OC(OC2(C(CO)OC(O[R2])C(O)C(O)2))C(O)C(O)3))C(O)C(O)4))'
p13530
sS'CPD0-1525'
p13531
S'C1(S(=O)CCC(CC(=O)C(=O)[O-])(C([O-])=O)C=1)'
p13532
sS'CPD0-1524'
p13533
S'C1(S(=O)CCC(CC(=O)C(=O)[O-])(C([O-])=O)C1)'
p13534
sS'CPD-12745'
p13535
S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C2(CCCC(C)(C)[CH](CCC(O)(C)1)2)C)'
p13536
sS'CPD0-1520'
p13537
S'CC(OC1(C([N+])C(OC(CO)C1O)O))C(=O)[O-]'
p13538
sS'CPD-12749'
p13539
S'CCCCCCCCC(O)C'
p13540
sS'CPD1G-332'
p13541
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p13542
sS'HYDROXYLAMINE'
p13543
S'NO'
p13544
sS'CPD-13369'
p13545
S'CC(C=CC1(=C(C)CCCC(C)(C)1))=CC=CC(C)=O'
p13546
sS'CPD-17324'
p13547
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13548
sS'CPD-17325'
p13549
S'CC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))CCC3(OC(C)(C)3)'
p13550
sS'CPD-17326'
p13551
S'CCCCCC=CCC=CCC=CCC=CCCCCCCCC([O-])=O'
p13552
sS'CPD-17320'
p13553
S'CCC=CCC=CCC=CCCCCCCCCCC(=O)[O-]'
p13554
sS'CPD-17321'
p13555
S'CC(C)=CCCC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))C'
p13556
sS'CPD-17322'
p13557
S'CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)[O-]'
p13558
sS'CPD-17323'
p13559
S'CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13560
sS'CPD-8664'
p13561
S'CC(C=CC=C(C)C(=O)[O-])=CC=CC=C(C)C=CC=C(C)C(=O)OC1(OC(C(C(C1O)O)O)COC2(C(C(O)C(C(CO)O2)O)O))'
p13562
sS'CPD-8665'
p13563
S'CC(C=CC=C(C)C(=O)OC1(C(C(O)C(C(O1)CO)O)O))=CC=CC=C(C)C=CC=C(C)C(=O)OC2(OC(C(C(C2O)O)O)COC3(C(C(O)C(C(CO)O3)O)O))'
p13564
sS'CPD-8666'
p13565
S'CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1(C(C(C(C(O1)COC2(C(C(O)C(C(CO)O2)O)O))O)O)O))C=CC=C(C)C(=O)OC3(OC(C(C(C3O)O)O)COC4(C(C(O)C(C(CO)O4)O)O))'
p13566
sS'CPD-8667'
p13567
S'CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1(C(C(C(C(O1)CO)O)O)O))C=CC=C(C)C(=O)OC2(OC(C(C(C2O)O)O)CO)'
p13568
sS'CPD-8660'
p13569
S'CC(C=CC=C([CH]=O)C)=CC=CC=C(C=CC=C([CH]=O)C)C'
p13570
sS'CPD-8661'
p13571
S'CC1(=C(C=O)C(C)(C)CC(O)C1)'
p13572
sS'CPD-8662'
p13573
S'CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]'
p13574
sS'CPD-8663'
p13575
S'CC(C=CC=C(C)C(=O)[O-])=CC=CC=C(C)C=CC=C(C)C(=O)OC1(OC(C(C(C1O)O)O)CO)'
p13576
sS'3-HYDROXYPROPYL-GLUCOSINOLATE'
p13577
S'C(O)CCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p13578
sS'CPD-10672'
p13579
S'CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]'
p13580
sS'2-AMINOBENZENESULFONATE'
p13581
S'C1(C=CC(=C(C=1)N)S([O-])(=O)=O)'
p13582
sS'CPD-10670'
p13583
S'C(CCCCCC([O-])=O)CCCCC(=O)[O-]'
p13584
sS'CPD-1301'
p13585
S'C([CH]2(NC1(C(NC(=NC=1NC2)N)=O)))NC3(=CC=C(C(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC(NC(C(=O)[O-])CCC([O-])=O)=O)=O)=O)C=C3)'
p13586
sS'CPD-1302'
p13587
S'CN1([CH](CNC2(N=C(NC(=O)C1=2)N))CNC3(=CC=C(C(=O)NC(C([O-])=O)CCC(NC(C([O-])=O)CCC(NC(C([O-])=O)CCC(=O)[O-])=O)=O)C=C3))'
p13588
sS'CPD-10679'
p13589
S'C1(C2(=C(C(O)=CC(O)=1)C(C=C([O-])C(=O)2)=O))'
p13590
sS'CPD-10678'
p13591
S'CC2(C=O)(C(OC(=O)C1(C(NC)=CC=CC=1))CC4(C)([CH](C2)C35(OC3C[CH]6(C(C)(C(C)(CC(O)4)5)CC[CH]%10(C(C)6CCC(OC9(OCC(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(CO)C(O)C(O)C(O)8))9))C(CO)(C)%10)))))'
p13592
sS'CPD-16986'
p13593
S'C=CC(C)(C)C35(C6(C(N(C(C)=O)C(N2(C(=O)C(N1(C(=O)C4(C(N=C1C2C3)=CC=CC=4)))C))5)=CC=CC=6))'
p13594
sS'CPD-16457'
p13595
S'CC1(=C5(C(C2(N1C3(=C(NC2)NC(O)=NC(=O)3)))CN=C4(C(C(=O)N=C(N)N4)=N5)))'
p13596
sS'CPD-16456'
p13597
S'CC1(=C5(C(C2(N1C3(=C(NC2)NC(N)=NC(=O)3)))CN=C4(C(C(=O)N=C(N)N4)=N5)))'
p13598
sS'CPD-16451'
p13599
S'C([O-])(=O)CCN1(C=CC(=O)O1)'
p13600
sS'CPD-16982'
p13601
S'CC(=CCCC(C)=CCO)CCC=C(C)CCC1(C(C)(O)CCCC(C)(C)1)'
p13602
sS'CPD-16981'
p13603
S'C=C1(C(CO)C2(C)(CCC3(C4(C)(CCCC(C)(C)C(CCC(C)([CH](CC1)2)3)4))))'
p13604
sS'CPD-16452'
p13605
S'C([O-])(=O)C([N+])CC1(C(=O)ONC=1)'
p13606
sS'MANNOSE-6P'
p13607
S'C(OP(=O)([O-])[O-])C1(OC(O)C(O)C(O)C(O)1)'
p13608
sS'CPD-16459'
p13609
S'O=P(O)([O-])O'
p13610
sS'CPD-16458'
p13611
S'C2(=O)(C1(=C(NCC=N1)NC(=O)N2))'
p13612
sS'CPD-16989'
p13613
S'CC=CC(=O)C'
p13614
sS'CPD-16988'
p13615
S'CC=CC(O)C(=O)C'
p13616
sS'CPD-12297'
p13617
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p13618
sS'CPDQT-340'
p13619
S'CSCCCCC([N+])C(=O)[O-]'
p13620
sS'CPDQT-343'
p13621
S'CSCCCCCC=NO'
p13622
sS'CPD-12294'
p13623
S'CN1(C(=NC(C([N-]1)=O)=O)SCC2(CSC3(C(C(N(C(C(=O)[O-])=2)3)=O)NC(C(C4(=CSC(N)=N4))=NOC)=O)))'
p13624
sS'ACRYLAMIDE'
p13625
S'C=CC(=O)N'
p13626
sS'CPDQT-349'
p13627
S'C(=O)([O-])C([N+])CCCCCCSC'
p13628
sS'CPD-12299'
p13629
S'CC(O)CCCCCCCCCC(=O)[O-]'
p13630
sS'CPD-12298'
p13631
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p13632
sS'UDP-D-GLUCOSAMINE'
p13633
S'C(O)C1(C(O)C(O)C([N+])C(O1)OP([O-])(=O)OP([O-])(=O)OCC3(C(O)C(O)C(N2(C=CC(=O)NC(=O)2))O3))'
p13634
sS'CPD-17131'
p13635
S'CCC(C)C=CC=CC=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2)'
p13636
sS'6-O-METHYLNORLAUDANOSOLINE'
p13637
S'C3(CC1(C=C(C(=CC=1C(CC2(=CC=C(C(=C2)O)O))[N+]3)O)OC))'
p13638
sS'CPD-7222'
p13639
S'CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C3OP([O-])([O-])=O)O))([O-])=O)([O-])=O)(C)C)O)=O)=O)=O'
p13640
sS'CPD-14802'
p13641
S'CC1([CH]2(CCC(C)=C(C(C=C(C)C([O-])=O)CC1)2))'
p13642
sS'CPD-8088'
p13643
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p13644
sS'CPD-8089'
p13645
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p13646
sS'CPD-17586'
p13647
S'C(S([O-])(=O)=O)(=O)C=CC=C(O)C(=O)[O-]'
p13648
sS'CPD-17587'
p13649
S'CCCCCCCCCC(C)=CCCC=CC(O)C([N+])CO'
p13650
sS'CPD-17588'
p13651
S'CCCCCCCCCC=CCCCC(O)C(O)C([N+])CO'
p13652
sS'CPD-8081'
p13653
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p13654
sS'CPD-8082'
p13655
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p13656
sS'CPD-8083'
p13657
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p13658
sS'CPD-8084'
p13659
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p13660
sS'CPD-8086'
p13661
S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p13662
sS'CPD-8087'
p13663
S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p13664
sS'CPD-14178'
p13665
S'C([N+])C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(O)C(OC1(C(O)C(O)C(COP(=O)([O-])[O-])O1))2))O3)'
p13666
sS'GLYCOLLATE'
p13667
S'C(C(=O)[O-])O'
p13668
sS'CPD-18498'
p13669
S'CC2(CCC1(COC(=O)C)(C4(C(OC(=O)C)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p13670
sS'CPD-18493'
p13671
S'CCCCCC=CCC=CCC=CCC=CCC=CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p13672
sS'CPD-14171'
p13673
S'CCC(C)C1(C(O)=CC=CC=1)'
p13674
sS'CPD-18491'
p13675
S'CCCCCC=CCC=CCC=CCC=CCC=CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p13676
sS'CPD0-1946'
p13677
S'CC([N+])C(=O)NC(CCSC)C(=O)[O-]'
p13678
sS'CPD-18497'
p13679
S'C2(=NC1(C=C(C=CC=1N2)O))'
p13680
sS'CPD-14175'
p13681
S'C1(C(C(C(C(C1[N+])OC2(C(CC(C(CO)O2)O)[N+]))OC3(C(C(C(CO)O3)OC4(C(C(C(C(C[N+])O4)OC5(C(C(C(C(CO)O5)O)O)O))O)[N+]))O))O)[N+])'
p13682
sS'CPD-18495'
p13683
S'CC2(=CC1(=C(N=CN1)C=C2OC))'
p13684
sS'CPD-14177'
p13685
S'C([N+])C1(OC(C([N+])C(O)C(O)1)OC4(C(C(OC3(C(C([N+])CC([N+])C(OC2(OC(CO)C(O)C(O)C([N+])2))3)O))OC4CO)O))'
p13686
sS'CPD-18914'
p13687
S'C(C[N+]CC([O-])=O)[N+](CC([O-])=O)CC([O-])=O'
p13688
sS'CPD-11984'
p13689
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p13690
sS'CPD-11982'
p13691
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p13692
sS'CPD-11983'
p13693
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p13694
sS'CPD-11981'
p13695
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p13696
sS'6-HYDROXY-NICOTINATE'
p13697
S'C1(=C(C=CC(=N1)O)C(=O)[O-])'
p13698
sS'CPD0-1442'
p13699
S'CC(=O)NC(C(=O)OC)CCCC[N+]'
p13700
sS'CPD-13166'
p13701
S'CC(O)C(NC(=O)C)[CH]1(OC(C(=O)[O-])(O)CC(O)C(NC(C)=O)1)'
p13702
sS'CPD-13167'
p13703
S'CC(O)C(NC(=O)C)[CH]3(C(NC(=O)C)C(CC(C([O-])=O)(OP(OCC1(C(C(C(O1)N2(C=CC(=NC2=O)N))O)O))([O-])=O)O3)O)'
p13704
sS'CPD-13164'
p13705
S'CC4(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C(NC(=O)C)C(O)C(NC(=O)C)4)'
p13706
sS'CPD-13165'
p13707
S'CC1(OC(O)C(NC(C)=O)C(O)C(NC(C)=O)1)'
p13708
sS'CPD-10589'
p13709
S'CC(CCC=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p13710
sS'L-EPINEPHRINE'
p13711
S'C[N+]CC(O)C1(C=CC(=C(C=1)O)O)'
p13712
sS'CPD-13160'
p13713
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OC(CO)C(O)C(O)C([N+])1))C2(OC(C(O)C(O)2)N4(C=NC3(C(=O)NC(N)=NC=34)))'
p13714
sS'CPD-13161'
p13715
S'CC(=O)NC4(C(O)C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))4)'
p13716
sS'CPD-10585'
p13717
S'C(=O)C(O)C(O)C(O)C(O)C(=O)OP([O-])(=O)OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3)))'
p13718
sS'CPD-15788'
p13719
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C4)O)=O)O))=O))O))O)O'
p13720
sS'CPD-10587'
p13721
S'CC([CH]=O)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p13722
sS'CPD-10586'
p13723
S'CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p13724
sS'CPD-10582'
p13725
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p13726
sS'CPD-4884'
p13727
S'CC3(C)(OC4(C=CC5(C1(C(C2(=C(OC1)C=C(C=C2)O))OC(C(C=C3)=4)=5))))'
p13728
sS'CPD-4885'
p13729
S'CC(=CCC4(=C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C3=CC=C(O)4))))C'
p13730
sS'CPD-4886'
p13731
S'C=C(C1(CCC(=CC1)C))C'
p13732
sS'CPD-4887'
p13733
S'CC1(CCC(CC=1)C(O)(C)C)'
p13734
sS'CPD-14359'
p13735
S'CC(=O)C1(=C([O-])C(O)C2(C(C(=O)1)=C(O)C3(=C(C=2)C=C4(C(=C(O)3)C(O)=CC(O)=C4))))'
p13736
sS'CPD-14354'
p13737
S'CC9(C(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))=CC8(C(=C(O)C7(C(=O)C6(OC5(CC(OC4(CC(OC3(CC(O)(C)C(O)C(C)O3))C(O)C(C)O4))C(O)C(C)O5))(C(OC(C(=O)C)=C(O)C(OC)[CH]6CC=7C=8)=O)))C(O)=9))'
p13738
sS'CPD-12455'
p13739
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p13740
sS'CPD-4888'
p13741
S'C=CC(CCC=C(C)C)=C'
p13742
sS'CPD-14351'
p13743
S'CC8(C(OC1(CC(O)C(O)C(C)O1))=CC7(C(=C(O)C6(C(=O)C5(OC4(CC(OC3(CC(OC2(CC(O)(C)C(O)C(C)O2))C(O)C(C)O3))C(O)C(C)O4))(C(C(C(=O)C)=C(O)C(OC)[CH]5CC=6C=7)=O)))C(O)=8))'
p13744
sS'CPD-14352'
p13745
S'CC9(C(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))=CC8(C(=C(O)C7(C(=O)C6(OC5(CC(OC4(CC(OC3(CC(O)(C)C(O)C(C)O3))C(O)C(C)O4))C(O)C(C)O5))(C(C(C(=O)C)=C(O)C(OC)[CH]6CC=7C=8)=O)))C(O)=9))'
p13746
sS'CPD-18670'
p13747
S'CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p13748
sS'CPD-6954'
p13749
S'C(CC(CC(CC(C=CC1(C=CC(=CC=1)O))=O)=O)=O)([O-])=O'
p13750
sS'CPD-17912'
p13751
S'CCC(C(O)C([O-])=O)C'
p13752
sS'CPD-6484'
p13753
S'C=CCC1(C=CC(=CC=1)OC)'
p13754
sS'CPD-17910'
p13755
S'CCCCCCC=CCCCC(=O)[O-]'
p13756
sS'CPD-6482'
p13757
S'C=CCC1(C=CC(=C(C=1)OC)OC)'
p13758
sS'CPD-12457'
p13759
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)NCCS([O-])(=O)=O'
p13760
sS'CPD-17915'
p13761
S'CC4(=C1(CC(CCC(C)1CC(OC3(O[CH](C(CO)OC2(O[CH](C(CO)O)C(O)C(O)2))C(O)C(O)3))C4)C(=C)COC6(O[CH](C(CO)OC5(O[CH](C(O)C(O)5)C(CO)O))C(O)C(O)6)))'
p13762
sS'CPD-6481'
p13763
S'C=CCC1(C=CC(=C(C=1)OC)O)'
p13764
sS'CPD0-1630'
p13765
S'C(OC([R])=O)C(OC([R])=O)COP(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)(=O)[O-]'
p13766
sS'CPD-6958'
p13767
S'C(C3(OC(OC1(C=C(C=C(C=1)O)C=CC2(C=CC(=CC=2)O)))C(C(C3O)O)O))O'
p13768
sS'CPD0-1248'
p13769
S'CC(C(=O)[O-])([N+])CCP([O-])(C)=O'
p13770
sS'3-NITROACRYLATE'
p13771
S'C(=CC(=O)[O-])[N+](=O)[O-]'
p13772
sS'CPD0-1249'
p13773
S'CC(P([O-])(C)=O)CC([N+])C(=O)[O-]'
p13774
sS'CPD-14125'
p13775
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p13776
sS'3-UREIDO-ISOBUTYRATE'
p13777
S'CC(CNC(N)=O)C(=O)[O-]'
p13778
sS'DIISOPROPYL-FLUOROPHOSPHATE'
p13779
S'CC(C)OP(=O)(F)OC(C)C'
p13780
sS'CPD1F-86'
p13781
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C([O-])=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p13782
sS'CPD1F-84'
p13783
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C(=O)[O-])([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p13784
sS'6-SELENO-OCTANOATE'
p13785
S'CCC([Se])CCCCC(=O)[O-]'
p13786
sS'AMINO-OXOBUT'
p13787
S'CC(=O)C([N+])C([O-])=O'
p13788
sS'6-OXO-HEXANOATE'
p13789
S'C(CC=O)CCC(=O)[O-]'
p13790
sS'CPD0-1321'
p13791
S'C(I)C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p13792
sS'CPD0-1320'
p13793
S'C(N=[N+]=[N-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p13794
sS'CPD0-1322'
p13795
S'C([N+])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p13796
sS'CPD0-1325'
p13797
S'COP(=O)([O-])OP(=O)([O-])OCC1(C(O)C(O)C(O1)N2(C=CC(=O)NC(=O)2))'
p13798
sS'CPD0-1324'
p13799
S'C(OP(=O)([O-])OP(=O)(OC1(C=CC=CC=1))[O-])C2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3))'
p13800
sS'CPD0-1327'
p13801
S'C1(=C(C(=O)NC(N1)=O)F)'
p13802
sS'CPD0-1326'
p13803
S'C(Br)C(=O)NC1(=CC=C(C=C1)OP([O-])(=O)OP([O-])(=O)OCC3(C(O)C(O)C(N2(C=CC(=O)NC(=O)2))O3))'
p13804
sS'CPD0-1329'
p13805
S'CC(C(NC(C([O-])=O)CCC(=O)[O-])=O)NC(=O)C(C)OC1(C(NC(=O)C)C(OC)OC(CO)C(O)1)'
p13806
sS'CPD0-1328'
p13807
S'CC(C(NC(CCC(=O)[O-])C([O-])=O)=O)NC(=O)C(C)OC1(C(NC(=O)C)C(OC)OC(CO)C(O)1)'
p13808
sS'57222428-ERGOSTATETRAENOL'
p13809
S'CC(C)C(=C)C=CC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p13810
sS'16-BETA-HYDROXYSTEROID'
p13811
S'CC34(C(C2(C(C1(C(CC(O)CC1)CC2)C)CC3))CC(O)C4)'
p13812
sS'CPDMETA-13650'
p13813
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(CC=CC[CH]=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13814
sS'ADENYLOSUCC'
p13815
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=NC=NC=23)NC(CC(=O)[O-])C(=O)[O-])))'
p13816
sS'CIS-3-HEXENOL'
p13817
S'CCC=CCCO'
p13818
sS'DGTP'
p13819
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p13820
sS'5-METHYL-DL-TRYPTOPHAN'
p13821
S'CC1(=CC2(=C(C=C1)NC=C2CC(C([O-])=O)[N+]))'
p13822
sS'CPD-15408'
p13823
S'C=C(Cl)C(=O)[O-]'
p13824
sS'CPD-15407'
p13825
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C(O)C)C(O)C(O)2))O3))'
p13826
sS'CPD-15405'
p13827
S'CC(O)C(O)C(O)C(O)[CH]=O'
p13828
sS'CPD-15403'
p13829
S'C([S+](CC3(C(O)C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))CC([O-])=O)CC(C([O-])=O)[N+]'
p13830
sS'CPD-15401'
p13831
S'CC1(N=C4(N(C(CCC([N+])C([O-])=O)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N(C)4)))'
p13832
sS'CPD-15400'
p13833
S'CC1(C(O)C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p13834
sS'ALPHA-HYDROXY-915-DIOXOPROSTANOATE'
p13835
S'CCCCCC(=O)CCC1(C(CC=CCCCC(=O)[O-])C(=O)CC(O)1)'
p13836
sS'CPD1F-453'
p13837
S'C1(C=C(O)C=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))'
p13838
sS'GAMMA-GLUTAMYL-PUTRESCINE'
p13839
S'C([N+])CCCNC(=O)CCC([N+])C(=O)[O-]'
p13840
sS'4-ALPHA-METHYL-5-ALPHA'
p13841
S'CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)C(C)C(O)CC3)))CC4)))C'
p13842
sS'CPD-9102'
p13843
S'CC(C)=CCCC(C)=CCCC(C)=CCO'
p13844
sS'CPD-9451'
p13845
S'CC(C(C(=O)[O-])=CC(=O)[O-])C'
p13846
sS'CPD-9100'
p13847
S'CCC5(C4(=CC6(=C(C)C1(=C(C([C-](C(=O)OC)C(=O)1)=C2(C(CCC(OCC=C(C)CCCC(C)CCCC(C)CCC=C(C)C)=O)C(C)C(=N2)C=C3(C(C)=C(C(C)=O)C(N3)=CC(=N4)C(C)5)))N6))))'
p13848
sS'CPD-9101'
p13849
S'CC(=CCCC(=CCCC(=CCO)C)C)C'
p13850
sS'CPD-9454'
p13851
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C)C)C'
p13852
sS'CPD-9107'
p13853
S'C1(C=C(C(=CC=1)N)N)'
p13854
sS'CPD-9456'
p13855
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])([O-])=O)([O-])=O)C)C)C)C)C)C'
p13856
sS'CPD-9457'
p13857
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(=CCOP(=O)([O-])OP(=O)([O-])[O-])C'
p13858
sS'CPD-54'
p13859
S'C1(NC(N)=C[N+]=1)'
p13860
sS'D-ALA-D-ALA'
p13861
S'CC([N+])C(=O)NC(C)C([O-])=O'
p13862
sS'CPD0-1567'
p13863
S'CCCCSCC(C([O-])=O)[N+]'
p13864
sS'CPD-2482'
p13865
S'C1(ONC(=O)C([N+])1)'
p13866
sS'35-DIBROMO-4-HYDROXYBENZONITRILE'
p13867
S'C(C1(C=C(C(=C(C=1)Br)[O-])Br))#N'
p13868
sS'CPD-16878'
p13869
S'CCCCOP([O-])(=O)[O-]'
p13870
sS'12-BETA-D-GLUCURONOSYL-D-GLUCURONATE'
p13871
S'C1(O)(C(O)C(OC(C(=O)[O-])C(O)1)OC2(C(O)OC(C(=O)[O-])C(O)C(O)2))'
p13872
sS'CARBAMOYL-SARCOSINE'
p13873
S'CN(CC(=O)[O-])C(N)=O'
p13874
sS'CPD-488'
p13875
S'CC1(OC(OP(=O)([O-])[O-])C(O)C(O)C(O)1)'
p13876
sS'CPD-483'
p13877
S'CC(=O)NC4(C(O)C(O)C(COP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1))OC(OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))4)'
p13878
sS'CPD-481'
p13879
S'CCCCCCCCCCCCCC=CC(C(COP([O-])(=O)OCC[N+](C)(C)C)[N+])O'
p13880
sS'CPD-480'
p13881
S'C(COP(OCC(C(=O)[O-])[N+])([O-])=O)[N+]'
p13882
sS'CPD-487'
p13883
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(N)([O-])=O'
p13884
sS'CPD-486'
p13885
S'C(C1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N))))OP(NC4(C=CC=CC=4C([O-])=O))([O-])=O'
p13886
sS'CPD-485'
p13887
S'C(C1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N))))OP(NC(CC4(C=CC=CC=4))C([O-])=O)(=O)[O-]'
p13888
sS'CPD-484'
p13889
S'CC1(OC(C(C1(C=O)O)OC2(C(C(C(C(O2)CO)O)OP(=O)([O-])OCC3(OC(C(C3O)O)N5(C4(=NC=NC(=C4N=C5)N))))[N+]C))OC6(C(C(C(C(C6O)O)NC(N)=[N+])O)NC(N)=[N+]))'
p13890
sS'CPD-15704'
p13891
S'CCCCCC=CC=CCCCCCCCCC(=O)[O-]'
p13892
sS'CPD-13761'
p13893
S'CC12(CCC(O)C(CCC(=O)[O-])[CH](CCC(=O)1)2)'
p13894
sS'CPD-13762'
p13895
S'CCCCCC=CCC=CC(OO)CCCCCCC([O-])=O'
p13896
sS'CPD-13764'
p13897
S'C(O)C3(C(O)C(O)C(O)C(OC2(C(C=CC1(C=CC(O)=C(O)C=1))=CC(O)=CC=2))O3)'
p13898
sS'CPD-13765'
p13899
S'CCCCCC=CCC=CC(O)CCC(O)CCCC([O-])=O'
p13900
sS'CPD-13766'
p13901
S'CCCCCC=CCC=CC(O)C(O)CCCCCC([O-])=O'
p13902
sS'CPD-13768'
p13903
S'CCCCCC=CC=CC(OO)CCCCCCCC([O-])=O'
p13904
sS'CPD-13492'
p13905
S'C([N+])CCN(CCC[N+])CCC[N+]'
p13906
sS'S-METHYL-L-CYSTEINE'
p13907
S'CSCC(C([O-])=O)[N+]'
p13908
sS'CPD-10618'
p13909
S'C([O-])(=O)C1(O)(C=CC=C(Cl)C(O)1)'
p13910
sS'CPD-155'
p13911
S'C(C1(C(O)C(O)C(O)C(O1)O))=O'
p13912
sS'CPD-157'
p13913
S'C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O'
p13914
sS'CPD-156'
p13915
S'C(=CC(=O)C([O-])=O)C1(C(O)=CC(C([O-])=O)=NC(O)=1)'
p13916
sS'CPD-623'
p13917
S'C1(C=C(O)C=C(O)C=1)'
p13918
sS'CPD-150'
p13919
S'C(C([O-])=O)CC(O)(C([O-])=O)CC(=O)[O-]'
p13920
sS'CPD-621'
p13921
S'C([O-])(=O)CCC(C(C([O-])=O)O)=O'
p13922
sS'CPD-152'
p13923
S'C([O-])(=O)CC(C([O-])=O)(O)CCCC(=O)[O-]'
p13924
sS'CPD-159'
p13925
S'CC(CC(CC([O-])=O)=O)[N+]'
p13926
sS'THIOL-GROUP'
p13927
S'[C---]S'
p13928
sS'CPD-629'
p13929
S'C1(NC(NC(C=1C([O-])=O)=O)=O)'
p13930
sS'CPD-628'
p13931
S'C([O-])(=O)C(C(C(=O)[O-])C(C([O-])=O)=O)O'
p13932
sS'CPD-8273'
p13933
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)[O-])=O'
p13934
sS'CPD-8272'
p13935
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)[O-])=O'
p13936
sS'CPD-8271'
p13937
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)[O-])=O'
p13938
sS'CPD-8270'
p13939
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)[O-])=O'
p13940
sS'CPD-8277'
p13941
S'CCC=CCC=CCC=CCCCCCCCC(OC(COP(OCC[N+](C)(C)C)(=O)[O-])COC(=O)CCCCCCCC=CCCCCCC)=O'
p13942
sS'CPD-8274'
p13943
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)[O-])=O'
p13944
sS'INOSITOL-1-3-4-TRIPHOSPHATE'
p13945
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p13946
sS'CPD-8279'
p13947
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p13948
sS'CPD-8278'
p13949
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p13950
sS'EGTA'
p13951
S'C(N(CC(=O)[O-])CC(=O)[O-])COCCOCCN(CC(=O)[O-])CC(=O)[O-]'
p13952
sS'CPD-11409'
p13953
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC3(=CC(I)=C(OC2(OC(C([O-])=O)C(O)C(O)C(O)2))C(I)=C3))'
p13954
sS'CPD-11408'
p13955
S'C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)'
p13956
sS'CPD1F-2'
p13957
S'CCC=CCC1(C(=O)CCC1CC(OC)=O)'
p13958
sS'7-8-DIHYDROPTEROATE'
p13959
S'C(NC1(=CC=C(C(=O)[O-])C=C1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3))'
p13960
sS'CPD-11403'
p13961
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p13962
sS'CPD-11402'
p13963
S'C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C=C3)))'
p13964
sS'CPD-11401'
p13965
S'C([O-])(=O)C1(OC(C(O)C(O)C(O)1)OC(=O)C(N)CC2(=CC(I)=C(C(I)=C2)OC3(=CC(I)=C(O)C(I)=C3)))'
p13966
sS'CPD-11400'
p13967
S'C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=CC(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))'
p13968
sS'CPD-11407'
p13969
S'C2(C(I)=C(OC1(C=C(C(OS(=O)(=O)[O-])=C(C=1)I)I))C(=CC=2CC(C(=O)[O-])[N+])I)'
p13970
sS'CPD-11406'
p13971
S'C([N+])CC1(=CC=C(C=C1)OC2(C=CC(O)=CC=2))'
p13972
sS'CPD-11405'
p13973
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=CC(O)=CC=2))'
p13974
sS'CPD-11404'
p13975
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))'
p13976
sS'CPD-6301'
p13977
S'CC1(C=CC(=CC=1)S(=O)(=O)NC(C(=O)CCl)CC2(=CC=CC=C2))'
p13978
sS'CPD-18029'
p13979
S'CC1(=CC(CC(C(=O)[O-])[N+])=CC(O)=C1OC)'
p13980
sS'CPD-13498'
p13981
S'C(S)C(C(NCCC(=O)[O-])=O)NC(=O)CCC(C([O-])=O)NC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O'
p13982
sS'CPD0-882'
p13983
S'CC(C([O-])=O)OC2(C(O)C1(COC(O1)C(NC(C)=O)2))'
p13984
sS'CPD-15707'
p13985
S'CC(C)CCC(O)C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p13986
sS'CPD-12140'
p13987
S'C=CCCC(S)=NOS(=O)(=O)[O-]'
p13988
sS'CPD-17463'
p13989
S'C([O-])(=O)CCC1(C=C(O)C(O)=CC=1)'
p13990
sS'CPD-17461'
p13991
S'C(O)(C(O)C(O)C([O-])=O)C(O)C(=O)[O-]'
p13992
sS'CPD-17467'
p13993
S'CC=CCC=CCCCCCCCCOC(=O)C'
p13994
sS'CPD-17465'
p13995
S'CC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13996
sS'CPD-17464'
p13997
S'CCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p13998
sS'CPD-17469'
p13999
S'CC=CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p14000
sS'CPD-13373'
p14001
S'CC(=CC=CC=C(C=CC=O)C)C=CC=C(C=CC=O)C'
p14002
sS'CPD-8416'
p14003
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p14004
sS'CPD-8415'
p14005
S'CCCCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p14006
sS'CPD-8414'
p14007
S'CCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p14008
sS'CPD-8413'
p14009
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p14010
sS'CPD-13376'
p14011
S'C8(C(C(C(C(OCC7(OC(OC2(C(O)C(O)C(OC(COC1(C(C(C(CO1)O)O)O))2)OC5(C(O)C(O)C(OC(COC3(C(C(C(CO3)O)O)OC4(C(C(C(C(O4)CO)O)O)O)))5)OC6(C(O)C(O)C(O)OC(CO)6))))C(O)C(O)C(O)7))O8)O)O)O)'
p14012
sS'CPD-13375'
p14013
S'C1(C(C(C(C(O1)OCC2(OC(C(O)C(O)C(O)2)OC4(C(O)C(O)C(OC(COC3(C(C(C(CO3)O)O)O))4)OC6(C(O)C(O)C(OC(COC5(C(C(C(CO5)O)O)O))6)OC7(C(O)C(O)C(O)OC(CO)7)))))O)O)O)'
p14014
sS'CPD-8410'
p14015
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p14016
sS'CPD-13379'
p14017
S'CC(O)C(CC[CH]=O)[N+](C)C'
p14018
sS'CPD-13378'
p14019
S'C9(C(C(C(C(OCC8(OC(OC3(C(O)C(O)C(OC(COC1(C(C(C(CO1)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))3)OC6(C(O)C(O)C(OC(COC4(C(C(C(CO4)O)O)OC5(C(C(C(C(O5)CO)O)O)O)))6)OC7(C(O)C(O)C(O)OC(CO)7))))C(O)C(O)C(O)8))O9)O)O)O)'
p14020
sS'CPD-8419'
p14021
S'CCC=CCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p14022
sS'CPD-8418'
p14023
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1(OC(CO)C(O)C(O)C(O)1))=O'
p14024
sS'CPD-14646'
p14025
S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C=CC=C(C=CC2(=C(CCCC2(C)C)C))C)C'
p14026
sS'CPD-14560'
p14027
S'CC(=O)NC1(C(C(C(C(=O)[O-])OC1OP([O-])(=O)OP([O-])(OCC3(OC(N2(C(NC(=O)C=C2)=O))C(O)C3O))=O)O)=O)'
p14028
sS'D-GALACTOSAMINE-6-PHOSPHATE'
p14029
S'C(OP(=O)([O-])[O-])C1(OC(O)C([N+])C(O)C(O)1)'
p14030
sS'TRICHLOROPHENOL'
p14031
S'C1(C(Cl)=CC(Cl)=C([O-])C(Cl)=1)'
p14032
sS'CPD-14565'
p14033
S'CCN(O)CC'
p14034
sS'CPD-18478'
p14035
S'C([O-])(=O)C(Cl)C1(OC(=O)C(Cl)=C1)Cl'
p14036
sS'ACRYLONITRILE'
p14037
S'C=CC#N'
p14038
sS'CPD-14647'
p14039
S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C=CC=O)C'
p14040
sS'DEACETOXYCEPHALOSPORIN-C'
p14041
S'CC2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p14042
sS'METHYLMETHANETHIOSULFONATE'
p14043
S'CSS(C)(=O)=O'
p14044
sS'CPD-5761'
p14045
S'CC(C)C1(CCC(C)CC(OC(C)=O)1)'
p14046
sS'CPD-14644'
p14047
S'C2(=C(CC([O-])=O)C1(=C(Cl)C=CC=C1N2))'
p14048
sS'CPD-10127'
p14049
S'CN(C)C3(C2(N=CN(C1(OC(COP([O-])(=O)[O-])C([N+])C(O)1))C=2N=CN3))'
p14050
sS'CPD-16848'
p14051
S'C5(C=C4(C(NC=C(C1(C(O)C([O-])=C(C(O)C([O-])=1)C2(C3(C(NC=2)=CC=CC=3))))4)=CC=5))'
p14052
sS'CPD-16849'
p14053
S'CC(C)=CCC1(C(=O)C(=C(O)C(=O)C=1C2(C3(C(NC=2)=CC=CC=3)))C4(C5(C(NC=4)=CC=CC=5)))'
p14054
sS'CPD-16842'
p14055
S'CC(C)C2(=C1(C(C(C(C)[CH]3(C(=CC1(C(C2)O)C)C(COC)CC3))O)O))'
p14056
sS'CPD-16843'
p14057
S'CC34([CH]2(CCC1(C)([CH](CCC(C(O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p14058
sS'CPD-16840'
p14059
S'CC(C)C2(=C1(C(C(C(C)[CH]3(C(=CC1(C(C2)O)C)C(CO)CC3))O)OC4(C(O)C(O)C(O)C(CO)O4)))'
p14060
sS'CPD-16841'
p14061
S'CC(C)C2(=C1(C(C(C(C)[CH]3(C(=CC1(C(C2)O)C)C(CO)CC3))O)O))'
p14062
sS'CPD-16846'
p14063
S'C=CC(C)(C)C4(NC5(C(C(C1(C(=O)C(O)=C(C(=O)C(CC=C(C)C)=1)C2(C3(C(NC=2)=CC=CC=3))))=4)=CC=CC=5))'
p14064
sS'CPD-16844'
p14065
S'C5(C=C4(C(NC=C(C1(C(=O)C(O)=C(C(=O)C(O)=1)C2(C3(C(NC=2)=CC=CC=3))))4)=CC=5))'
p14066
sS'CPD-16845'
p14067
S'C=CC(C)(C)C4(NC5(C(C(C1(C(=O)C(O)=C(C(=O)C(O)=1)C2(C3(C(NC=2)=CC=CC=3))))=4)=CC=CC=5))'
p14068
sS'OXOPENTENOATE'
p14069
S'C=CCC(=O)C(=O)[O-]'
p14070
sS'HOMO-SER'
p14071
S'C(CO)C([N+])C([O-])=O'
p14072
sS'GAMMA-BUTYROBETAINE'
p14073
S'C[N+](CCCC([O-])=O)(C)C'
p14074
sS'CPD-12172'
p14075
S'C=C(C5(OC2(C(=C3(O[CH]1(COC4(C([CH]1C(=O)C(=C(O)C=2)3)=CC(OC)=C(OC)C=4))))C5)))C'
p14076
sS'CPD-7229'
p14077
S'C(C2(OC(N1(C=C(CC=C1)C(=O)N))C(C(O)2)O))O'
p14078
sS'CPD-12170'
p14079
S'CCCCCCC(O)CC=CCCCCCCCCCC(=O)[O-]'
p14080
sS'CPD-12176'
p14081
S'CC(C([O-])=O)CO'
p14082
sS'CPD-12177'
p14083
S'CC([CH]=O)C(=O)[O-]'
p14084
sS'GLYCEROPHOSPHATEN1'
p14085
S'C(OP(=O)([O-])OCC(O)COP(=O)([O-])OCC(O)COP(=O)([O-])[O-])C(O)CO[R]'
p14086
sS'CPD-7228'
p14087
S'C(C(CC[N+]1(C(CC1)C([O-])=O))[N+]CCC(C([O-])=O)=O)([O-])=O'
p14088
sS'1-INDANOL'
p14089
S'C2(C=CC1(=C(CCC1O)C=2))'
p14090
sS'PRENAL'
p14091
S'CC(=CC=O)C'
p14092
sS'CPD-10432'
p14093
S'CC1(N=CSC(CCCl)=1)'
p14094
sS'ISONIAZIDE'
p14095
S'C1(=CC(=CC=N1)C(=O)NN)'
p14096
sS'CPD-7238'
p14097
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p14098
sS'CPD-17352'
p14099
S'CCC=CCC=CCC=CCCCCCCCCCC(=O)[a'
p14100
sS'CPD-10116'
p14101
S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))'
p14102
sS'CPD-10117'
p14103
S'CC(=CCO)CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))'
p14104
sS'CPD-10114'
p14105
S'C=CC(=C)CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))'
p14106
sS'CPD-10115'
p14107
S'CC3(C2(C)(C(=O)C(O)C(C)C(C)(CC(O)C1(C(=O)C=O)(CO1))C2CCC=3))'
p14108
sS'CPD-10448'
p14109
S'CC2(C(NOC1(OC(CO)C(O)C(O)C(O)1))=CC([N+](=O)[O-])=CC([N+]([O-])=O)=2)'
p14110
sS'CPD-7233'
p14111
S'CC(CC1(C=CC=CC=1))=O'
p14112
sS'CPD-10118'
p14113
S'C1(C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OC(C1O)N3(C=NC2(C(N)=NC=NC=23)))'
p14114
sS'CPD-7231'
p14115
S'C1(CC(C([O-])=O)N1CC(O)C([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p14116
sS'CPD-7944'
p14117
S'CCCCCCCCCCCCCCCCCCCCCCCCC'
p14118
sS'CPD-7237'
p14119
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)CC4(C(C)3CCC(=O)C=4))))'
p14120
sS'CPD-7946'
p14121
S'CCCCCCCCCCCCCCC'
p14122
sS'CPD-7235'
p14123
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p14124
sS'CPD-18808'
p14125
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C)C)C)C)C)C)C'
p14126
sS'CPD-18809'
p14127
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C(NCC([O-])=O)=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R])C(O)C(NC(=O)C)1))C3(COC(C(NC(=O)C)2)O3))'
p14128
sS'CPD-18800'
p14129
S'CC([CH]3(CC[CH]4([CH]2(C(O)C(O)[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)NCCS(=O)(=O)[O-]'
p14130
sS'CPD-7221'
p14131
S'CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))(=O)[O-])(=O)[O-])(C)C)O)=O)=O)=O'
p14132
sS'CPD-17356'
p14133
S'C=CC(C)(C)C2(=C(C1(=CC=C(O)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p14134
sS'CPD-18804'
p14135
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C[R1])C(NC(=O)C)4)'
p14136
sS'CPD-18805'
p14137
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)OC(C[R1])C(NC(=O)C)2)'
p14138
sS'CPD-18806'
p14139
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R1])C(O)C(NC(=O)C)1))C3(COC(C(NC(=O)C)2)O3))'
p14140
sS'CPD-18807'
p14141
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R1])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)O4))C)C)C)C)C)C)C'
p14142
sS'CPD-17359'
p14143
S'CC1(C)(OC2(=CC=C3(C(=C(C=C1)2)NC4(C(C)(C)[CH]7(CC56(C(=O)NC(CC3=4)(C(N(CCC5)6)=O)7))))))'
p14144
sS'BIS-P-NITROPHENOLPHOSPHATE'
p14145
S'C1(C([N+](=O)[O-])=CC=C(C=1)OP(OC2(C=CC(=CC=2)[N+](=O)[O-]))([O-])=O)'
p14146
sS'CHLOROPHYLL-A'
p14147
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p14148
sS'MONOMETHYL-ESTER-OF-TRANS-ACONITATE'
p14149
S'COC(=O)C(=CC(=O)[O-])CC(=O)[O-]'
p14150
sS'5-METHYLAMINOMETHYL-2-SELENOURIDINE'
p14151
S'C[N+]CC1(C(=O)[N-]C(=[Se])N(C=1)C2(C(C(C(O2)CO)O)O))'
p14152
sS'CPD-17609'
p14153
S'CC7(O[CH]6(C(O)C(O)C(OC2([CH]1([CH](C(OC1)=O)C(C4(C2=CC3(OCOC=3C=4)))C5(C=C(OC)C(OP(=O)([O-])[O-])=C(OC)C=5))))O[CH]6CO7))'
p14154
sS'VICIANOSE'
p14155
S'C2(OC(OCC1(OC(O)C(O)C(O)C(O)1))C(O)C(O)C(O)2)'
p14156
sS'CPD66-41'
p14157
S'CCCCCCCCCCCCCC=CC(O)C(NC(CCCCCCCCCCCCCCC)=O)CO'
p14158
sS'CPD66-42'
p14159
S'CCCCCCCCCCCCCC=CC(C(COP([O-])(OCC[N+](C)(C)C)=O)NC(CCCCCCCCCCCCCCC)=O)O'
p14160
sS'CROTONO-BETAINE'
p14161
S'C[N+](CC=CC([O-])=O)(C)C'
p14162
sS'CPD-13149'
p14163
S'CC(C)=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C'
p14164
sS'CPD0-2155'
p14165
S'CC(C(NC(CCC(O)=O)C(NC(CCCC(C(=O)O)N)C(O)=O)=O)=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(CO)OC=C(NC(C)=O)2)'
p14166
sS'CPD0-2153'
p14167
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OC1(C(C(O)C(C=O)(N)CO1)O)'
p14168
sS'CPD0-2152'
p14169
S'CCCCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p14170
sS'5-METHYLTHIOADENOSINE'
p14171
S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p14172
sS'THIOPHENE-2-CARBONYL-COA'
p14173
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(SC=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p14174
sS'D-GLUCOSYLARYLAMINE'
p14175
S'C1([R3])(C([R4])=C([R5])C(=C([R1])C([R2])=1)NC2(OC(CO)C(O)C(O)C(O)2))'
p14176
sS'CORTOL'
p14177
S'CC12(C3(C(CCC1CC(O)CC2)C4(CCC(C(CC3O)(C)4)(C(CO)O)O)))'
p14178
sS'D-1-GUANIDINO-1-DEOXY-3-DEHYDRO-SCYLLO-I'
p14179
S'C1(NC(=[N+])N)(C(O)C(=O)C(O)C(O)C(O)1)'
p14180
sS'TAXA-42011-DIEN-5-ALPHA-YL-ACETATE'
p14181
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)OC(C)=O)))'
p14182
sS'CPD-9764'
p14183
S'CCCCCCCCCCCCCCCCCCCCCCCC'
p14184
sS'CPD-14724'
p14185
S'CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p14186
sS'CPD0-2339'
p14187
S'[CH](N)=CC(=O)[O-]'
p14188
sS'CPD0-2338'
p14189
S'C(NC(N)=O)=CC(=O)OO'
p14190
sS'CPD-14723'
p14191
S'CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p14192
sS'CPD-6543'
p14193
S'C(C1(=CC=CC=C1O))([O-])=NO'
p14194
sS'CPD-6542'
p14195
S'CCCOC(C1(=CC(=C(C(=C1)O)O)O))=O'
p14196
sS'CPD0-2331'
p14197
S'[CH](NC(N)=O)=CC(=O)[O-]'
p14198
sS'CPD0-2330'
p14199
S'CCCCCCC=CCCCCCCCC(OCC(COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCC=CCCCCCC)=O'
p14200
sS'CPD0-2337'
p14201
S'CC2(=C(C)C(=O)C1(C=CC=CC=1C(=O)2))'
p14202
sS'CPD0-2336'
p14203
S'C[N+]1(=CC=C(C=C1)C2(C=C[N+](C)=CC=2))'
p14204
sS'CPD-9763'
p14205
S'CCCCCCCCCCCCCCCCCCCCCCCCCC'
p14206
sS'EE-PIPEROYL-COA'
p14207
S'CC(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C(OP([O-])([O-])=O)3)O))([O-])=O)([O-])=O)(C(C(NCCC(NCCSC(C=CC=CC5(C=C4(C(OCO4)=CC=5)))=O)=O)=O)O)C'
p14208
sS'S2O3'
p14209
S'O=S(=O)([O-])S'
p14210
sS'3-HYDROXYAMINOPHENOL'
p14211
S'C1(C=C(O)C=C(C=1)NO)'
p14212
sS'D-RIBULOSE-1-P'
p14213
S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CO'
p14214
sS'12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE'
p14215
S'COC2(=CC(C=CC1(=CC=C(O)C(=C1)OC))=CC=C(O)2)'
p14216
sS'CPD-13971'
p14217
S'CC1(C(O)C([N+])CC(O)O1)'
p14218
sS'CPD-13973'
p14219
S'CC1(C(O)C([N+])CC(O1)OC2(CC(O)(C(=O)CO)CC4(C2=C(O)C3(C(=O)C5(C(OC)=CC=CC(C(=O)C=3C=4O)=5)))))'
p14220
sS'CPD-13972'
p14221
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)OC)4)O)=O)O))=O))O))O)O'
p14222
sS'CPD-18119'
p14223
S'C(O)C(O)[CH]1(OC(O)(C([O-])=O)C(O)C(C1O)O)'
p14224
sS'CPD-18112'
p14225
S'C1(C=C(C=CC([N+](=O)[O-])=1)[N+](=O)[O-])'
p14226
sS'CPD-18113'
p14227
S'CC1(C=CC(=CC(Cl)=1)[N+]([O-])=O)'
p14228
sS'CPD-18110'
p14229
S'CC1(C=CC(=C([N+](=O)[O-])C=1)[N+]([O-])=O)'
p14230
sS'CPD-18111'
p14231
S'CC1(C=C([N+](=O)[O-])C(=C(C=1)O)O)'
p14232
sS'CPD-18116'
p14233
S'CC1(=C(C=CC(O)=C(O)1)Cl)'
p14234
sS'CPD-18114'
p14235
S'CC1(C=CC(O)=C(O)C(Cl)=1)'
p14236
sS'CPD-18115'
p14237
S'CC1(C([N+]([O-])=O)=CC=CC(Cl)=1)'
p14238
sS'LUTEOLIN-7-O-BETA-D-GLUCURONIDE'
p14239
S'C4(=C(C1(OC3(C(C(C=1)=O)=C(C=C(OC2(C(C(C(C(C([O-])=O)O2)O)O)O))C=3)O)))C=C(C(=C4)O)O)'
p14240
sS'ETHYL-ACETOACETATE'
p14241
S'CCOC(=O)CC(C)=O'
p14242
sS'BUTANAL'
p14243
S'CCC[CH]=O'
p14244
sS'UREA'
p14245
S'C(=O)(N)N'
p14246
sS'CPD-9164'
p14247
S'CC(C=CC(C(=O)[O-])=O)C([O-])=O'
p14248
sS'CPD-6978'
p14249
S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=C(C=2)O)O))C(=O)[O-])=O'
p14250
sS'CPD-11234'
p14251
S'CCC=CCC1(C(CCC1=O)CC(NC(C([O-])=O)CC(C)C)=O)'
p14252
sS'CPD-11235'
p14253
S'CCC=CCC1(C(CCC1=O)CC(NC(C([O-])=O)CC2(C=CC=CC=2))=O)'
p14254
sS'L-BETA-ASPARTYL-P'
p14255
S'C(C([N+])C(=O)[O-])C(=O)OP([O-])(=O)[O-]'
p14256
sS'CPD-11237'
p14257
S'CC1(C=C(N)C(N)=CC(C)=1)'
p14258
sS'CPD-11230'
p14259
S'C3(NC4(C(C(CC(NC(CC2(C1(=C(C=CC=C1)NC=2)))=O)C([O-])=O)=3)=CC=CC=4))'
p14260
sS'CPD-11231'
p14261
S'C1(NC3(=C(C=1CC(N2(CCCC(C([O-])=O)2))=O)C=CC=C3))'
p14262
sS'CPD-11233'
p14263
S'CCC=CCC1(C(CCC1=O)CC(NC(C([O-])=O)C(C)C)=O)'
p14264
sS'CPD-11238'
p14265
S'C(C1(C(Br)=CC=CC=1))([O-])=O'
p14266
sS'CPD-11239'
p14267
S'C(C1(C(I)=CC=CC=1))([O-])=O'
p14268
sS'CPD0-1158'
p14269
S'CCCCCCCCC=CC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p14270
sS'CPD0-1159'
p14271
S'CCCCCCCCC=CC=CCC(=O)[O-]'
p14272
sS'CPD0-1152'
p14273
S'CCCCCNC(=O)CCNC(=O)C(O)C(C)(C)CO'
p14274
sS'CPD0-1153'
p14275
S'CCCCCCCNC(=O)CCNC(=O)C(O)C(C)(C)CO'
p14276
sS'CPD-35'
p14277
S'CC(=O)NCCCC(=O)[O-]'
p14278
sS'CPD-34'
p14279
S'CC(C)(O)CCC3(C(O)=CC(O)=C2(C(OCC(C1(=CC=C(C=C(O)1)O))C(=O)2)=3))'
p14280
sS'CPD0-1156'
p14281
S'CC1(C(=O)C=CC(=O)C=1)'
p14282
sS'CPD0-1157'
p14283
S'CC1(C(O)C=CC(O)C=1)'
p14284
sS'CPD-30'
p14285
S'CC(NCCC[CH]=O)=O'
p14286
sS'CPD-10413'
p14287
S'C1(=C(C=CC(O)=C1)C2(C(O)CC3(C(O2)=CC(O)=CC(O)=3)))'
p14288
sS'3-OXO-CHOLYL-COA'
p14289
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(=O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p14290
sS'HYDROGEN-MOLECULE'
p14291
S'[HH]'
p14292
sS'CPD-6976'
p14293
S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p14294
sS'CPD0-1068'
p14295
S'CP([O-])(=O)O'
p14296
sS'N-ACETYL-L-LYSINE'
p14297
S'CC(=O)NC(CCCC[N+])C(=O)[O-]'
p14298
sS'BUTADIENE'
p14299
S'C=CC=C'
p14300
sS'VELLOSIMINE'
p14301
S'C[CH]=C5(CN1([CH]4(C[CH]([CH]([CH]=O)[CH]1CC3(=C(NC2(=C(C=CC=C2)3))4))5)))'
p14302
sS'CPD-368'
p14303
S'C(C1(OC(C(C1O)O)=O))O'
p14304
sS'CPD0-1063'
p14305
S'C(O)C(C(=O)[O-])OC1(OC(COP(=O)([O-])[O-])C(C(C1O)O)O)'
p14306
sS'CPD-362'
p14307
S'C(O)C(O)(CO)C(O)CO'
p14308
sS'CPD-363'
p14309
S'C(O)C(=O)C(O)C(=O)[O-]'
p14310
sS'CPD-360'
p14311
S'C1(C(C(C(CO1)O)O)O)=O'
p14312
sS'CPD-361'
p14313
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))O3))'
p14314
sS'CPD-366'
p14315
S'C([O-])(=O)C(CS(=O)(=O)[O-])OP(=O)([O-])[O-]'
p14316
sS'CPD-367'
p14317
S'C(=O)([O-])C(O)CS([O-])(=O)=O'
p14318
sS'CPD-365'
p14319
S'C1(O)(C(O)C(O)C(=O)C(O)C(O)1)'
p14320
sS'CPD-1099'
p14321
S'C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)'
p14322
sS'CPD-8861'
p14323
S'CC=CC#N'
p14324
sS'CPD-1090'
p14325
S'C=C(C1(CCC(=CC1=O)C))C'
p14326
sS'CPD-1091'
p14327
S'C(O)(C([O-])=O)NC(N)=O'
p14328
sS'CPD-1092'
p14329
S'C=CC1(C=CC=CC=1)'
p14330
sS'CPD-1093'
p14331
S'CC(=O)C(O)C(O)CO'
p14332
sS'CPD-1094'
p14333
S'CC2(C(=NC(N(C1(OC(C(C1)O)COP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O))C=2)=O)N)'
p14334
sS'CPD-1095'
p14335
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p14336
sS'CPD-1096'
p14337
S'CC(=O)SCC[N+]'
p14338
sS'CPD-1097'
p14339
S'C(=O)(CCC(NC(=O)CC1(=CC=CC=C1))C(=O)[O-])N'
p14340
sS'CPD-16617'
p14341
S'CC(CO)(C)C(O)C(NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(CO)(C)C)=O'
p14342
sS'CPD-16616'
p14343
S'CC2(C4(CCC3(C1(CC(O)CC(C)(CO)[CH]1CC[CH](C=2)3)C)C4))'
p14344
sS'CPD-16615'
p14345
S'C=CC2(CC[CH]3(C1(CCC(C(C)(CO)[CH]1CCC(=C2)3)O)C))C'
p14346
sS'CPD-9668'
p14347
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C1)'
p14348
sS'CPD-16613'
p14349
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)=O)C))C'
p14350
sS'CPD-16612'
p14351
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)O)C))C'
p14352
sS'CPD-16611'
p14353
S'C=CC2(CCC3(O)(C1(CCC(C(C)(C)[CH]1CCC(=C2)3)O)C))C'
p14354
sS'CPD-16610'
p14355
S'C=CC3(CC[CH]2(C1(CCC(O)C(C)([CH]1CCC2=C3)C)C))C'
p14356
sS'CPD0-1545'
p14357
S'CC(O)C1(C(=O)N2(C(C(=O)[O-])=C(C[N+])SC12))'
p14358
sS'CPD0-1544'
p14359
S'CC1(=CC=CC2(=C1NC=C(CC([N+])C(=O)[O-])2))'
p14360
sS'CPD0-1065'
p14361
S'C(CC[N+]CCCCC[N+])[N+]'
p14362
sS'CPD0-1541'
p14363
S'C(=O)([O-])C([N+])CC(=O)C=[N+]=N'
p14364
sS'CPD-9666'
p14365
S'C(O)C1(C(O)C(O)C(O)C(=O)C1)'
p14366
sS'CPD-16619'
p14367
S'COC1(C(C(C(C(O1)COP([O-])([O-])=O)O)O)O)'
p14368
sS'CPD-16618'
p14369
S'C(C(=O)[O-])C(O)[CH]=O'
p14370
sS'CPD-12766'
p14371
S'[CH](=O)C1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p14372
sS'CPD-12765'
p14373
S'CCC(O)CC(=O)[O-]'
p14374
sS'CPD-12763'
p14375
S'C(=O)CCCC[N+]'
p14376
sS'CPD-12762'
p14377
S'CC(=CC=O)C=CC=C(C=O)C'
p14378
sS'CPD-12760'
p14379
S'CC(C)(COP([O-])(=O)[O-])C(C([O-])=O)O'
p14380
sS'CPD-12769'
p14381
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC3(OC(CO)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)C(O)3))C)C)C)C)C)C)C'
p14382
sS'MAL'
p14383
S'C(=O)([O-])CC(O)C([O-])=O'
p14384
sS'CPD-7868'
p14385
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p14386
sS'CPD-8646'
p14387
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)(C(=CC=C23)CC(O)CC4))))'
p14388
sS'3-KETO-L-GULONATE'
p14389
S'C(O)C(O)C(O)C(=O)C(O)C(=O)[O-]'
p14390
sS'2-KETO-3-METHYL-VALERATE'
p14391
S'CCC(C)C(=O)C([O-])=O'
p14392
sS'CPD-16478'
p14393
S'C2(=O)(C1(C(=NC=CN=1)N=C(N)N2))'
p14394
sS'3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE'
p14395
S'CC34([CH]2(CCC1(C)([CH](CCC(=O)1)[CH]2CC[CH](CC(O)CC3)4)))'
p14396
sS'CPD-16473'
p14397
S'CC(=O)NC4(C(OC2(C(O)C(OC1(C(O)C(O)C(O)OC(CO)1))OC(CO)C(O)2))OC(CO)C(O)C(OC3(OC(CO)C(O)C(O)C(O)3))4)'
p14398
sS'BETA-ALANYL-COA'
p14399
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[N+]'
p14400
sS'CPD-16471'
p14401
S'CC(NC(C(=O)NC(CCC([O-])=O)C(NC(CCC([O-])=O)C([O-])=O)=O)CC(=O)[O-])=O'
p14402
sS'CPD-16470'
p14403
S'C([O-])(=O)CCC(C([O-])=O)NC(=O)C(CC(=O)[O-])(O)CC(=O)[O-]'
p14404
sS'CPD-16477'
p14405
S'CP(OC1(C=CC(N(=O)=O)=CC=1))(=O)OCCCCC3(=C6(C2(C(C5(C4(=C(C=2C=C3)C=CC=C4C=CC=5)))=CC=C6)))'
p14406
sS'CPD-16475'
p14407
S'CC3(C(O)C(O)C(O)C(OC2(C(NC(C)=O)C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))2))O3)'
p14408
sS'2-IODOPHENOL'
p14409
S'C1(C=CC(O)=C(C=1)I)'
p14410
sS'3-ADP-2-PHOSPHOGLYCERATE'
p14411
S'C(OP(=O)([O-])OP(=O)([O-])OCC(OP(=O)([O-])[O-])C(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p14412
sS'5-PHOSPHONUCLEOSIDE-3-DIPHOSPHATE'
p14413
S'C(OP(=O)([O-])[O-])C1(OC([a'
p14414
sS'TRANS-CINNAMOYL-BETA-D-GLUCOSE'
p14415
S'C2(C=CC(C=CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))=CC=2)'
p14416
sS'CPDQT-429'
p14417
S'C(C1(=CNC2(=C1C=CC=C2)))N=C=S'
p14418
sS'2K-ADIPATE'
p14419
S'C(CC(=O)C(=O)[O-])CC(=O)[O-]'
p14420
sS'10-DEOXYSARPAGINE'
p14421
S'C[CH]=C5([CH]4([CH](CO)[CH]3(N([CH](C2(NC1(C(=CC=CC=1)C=2C3)))C4)C5)))'
p14422
sS'GERANIAL'
p14423
S'CC(C)=CCCC(=C[CH]=O)C'
p14424
sS'INDOLE-3-CARBOXALDEHYDE'
p14425
S'C2(C=CC1(=C(C(C=O)=CN1)C=2))'
p14426
sS'CPD-15830'
p14427
S'[CH](=O)CS(=O)[O-]'
p14428
sS'OXALO-GLUTARATE'
p14429
S'C(CC(=O)[O-])C(C(C(=O)[O-])=O)C(=O)[O-]'
p14430
sS'INDOLE-3-GLYCEROL-P'
p14431
S'C2(=C(C1(C=CC=CC=1N2))C(C(COP([O-])(=O)[O-])O)O)'
p14432
sS'1-HYDROXY-2-BETA-D-GLUCOSYLOXY-910-AN'
p14433
S'C1(C=CC2(C(=O)C3(=C(O)C(=CC=C(C(=O)C(C=1)=2)3)OC4(C(O)OC(CO)C(O)C(O)4))))'
p14434
sS'N-EE-PIPEROYL-PIPERIDINE'
p14435
S'C(N1(CCCCC1))(=O)C=CC=CC3(C=CC2(OCOC=2C=3))'
p14436
sS'CPD-3785'
p14437
S'C(C(C(C(C=O)O)OC1(C(O)C(O)C(O)C(O1)CO))O)O'
p14438
sS'CPD-3782'
p14439
S'C(C1(C2(C(C(O)C(O1)OC7(C(OC(OC6(C(OC(OC5(C(C(C(OC4(C(C(C(OC3(C(C(C(O2)OC(CO)3)O)O))OC(CO)4)O)O))OC(CO)5)O)O))C(C6O)O)CO))C(C7O)O)CO))O)))O'
p14440
sS'CPD-3783'
p14441
S'C(C9(OC8(C(C(C(OC1(C(C(C(C(O1)CO)OC2(OC(C(C(C2O)O)OC3(OC(C(C(O)C(O)3)OC4(OC(C(C(C4O)O)OC5(C(C(C(C(O5)CO)OC6(C(C(C(C(O6)CO)OC7(OC(C(C(C7O)O)O8)CO))O)O))O)O))CO))CO))CO))O)O))9)O)O)))O'
p14442
sS'SINAPALDEHYDE'
p14443
S'COC1(C=C(C=CC=O)C=C(OC)C(O)=1)'
p14444
sS'CPD-3781'
p14445
S'C(C1(C2(C(C(C(O1)OC8(C(C(C(OC7(C(C(C(OC6(C(C(C(OC5(C(C(C(OC4(C(C(C(OC3(C(C(C(O2)OC3CO)O)O))OC4CO)O)O))OC5CO)O)O))OC6CO)O)O))OC7CO)O)O))OC8CO)O)O))O)O)))O'
p14446
sS'N-4-GUANIDINOBUTYL-4-HYDROXYCINNAMAMID'
p14447
S'C(CNC(C=CC1(C=CC(=CC=1)O))=O)CC[N+]=C(N)N'
p14448
sS'CPD-13497'
p14449
S'CC(CO)=CCCC1(C)(C(=C)C2(CC1CC2))'
p14450
sS'CPD-13494'
p14451
S'CCCCCC(O)CC(=O)CCC1(C=C(OC)C(O)=CC=1)'
p14452
sS'CPD-13495'
p14453
S'CCCCCC(O)CC(=O)CCC1(C=C(O)C(O)=CC=1)'
p14454
sS'CPD-10619'
p14455
S'C([O-])(=O)C1(O)(C=C(Cl)C=CC(O)1)'
p14456
sS'CPD-13493'
p14457
S'C([N+])CC[N+](CCC[N+])(CCC[N+])CCC[N+]'
p14458
sS'CPD-13491'
p14459
S'C([N+])CC[N+]CCC[N+]CCC[N+]CCC[N+]'
p14460
sS'CPD-10615'
p14461
S'CC1(=CC(Cl)=CC=C(O)1)'
p14462
sS'CPD-10614'
p14463
S'CC1(=C(C=CC(=C1)Cl)OCC(=O)[O-])'
p14464
sS'CPD-10616'
p14465
S'CC1(C(O)=C(O)C=C(Cl)C=1)'
p14466
sS'CPD-10610'
p14467
S'C1(C(Cl)=C(Cl)C(O)C(O)C=1)'
p14468
sS'CPD-10613'
p14469
S'C1(C=C(O)C(O)=C(F)C=1)'
p14470
sS'CPD-13499'
p14471
S'C(=O)([O-])C1(=C(O)C=C(O)C=C(O)1)'
p14472
sS'CPD-18471'
p14473
S'CC2(=C4(C3(CC1(C)([CH](C(C)(C)CC1)[CH](CC(=O)2)3))(C(C(OC)=O)CC4)))'
p14474
sS'CPD-18470'
p14475
S'CC2(=C4(C3(CC1(C)([CH](C(C)(C)CC1)[CH](CC2)3))(C(C)CC4)))'
p14476
sS'CPD-18473'
p14477
S'CC1(C(OC(Cl)(C=1)C(C([O-])=O)Cl)=O)'
p14478
sS'CPD-18472'
p14479
S'CC12(OC(=O)C(Cl)C(OC(=O)C(Cl)1)2)'
p14480
sS'CPD-18475'
p14481
S'CC(C([O-])=O)C1(OC(=O)C(=C1)Cl)(Cl)'
p14482
sS'CPD-14118'
p14483
S'CN2(C1(=C(NC(=O)N1)C(=O)N(C)C(=O)2))'
p14484
sS'CPD-14119'
p14485
S'CN2(C(=O)NC1(=C(NC(=O)N1)C(=O)2))'
p14486
sS'CPD-14116'
p14487
S'C(OP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)C(O)C(O)C(=O)CO'
p14488
sS'CPD-14117'
p14489
S'C(OP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)C(O)C(O)C(O)CO'
p14490
sS'CPD-14114'
p14491
S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))O))=CC=C(C=3)O)'
p14492
sS'CPD-14115'
p14493
S'C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)'
p14494
sS'CPD-14112'
p14495
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(=O)CCC(=O)[O-])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p14496
sS'CPD-17709'
p14497
S'C(C1(OC(C(C(C=1)O)O)OC2(C(OC(C(C2O)O)O)C([O-])=O)))([O-])=O'
p14498
sS'CPD-17702'
p14499
S'C(O)C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(O)C(O)C=C(C([O-])=O)O2))'
p14500
sS'CPD-17703'
p14501
S'COCC=CC1(C=C(OC)C(O)=CC=1)'
p14502
sS'CPD-17700'
p14503
S'C1(SC(CCCCC(=O)NCCCCC([N+])C(=O)[O-])[CH]2(NC(=O)N[CH]12))'
p14504
sS'CPD-17701'
p14505
S'C(OS(=O)(=O)[O-])C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(OS([O-])(=O)=O)C(O)C=C(C([O-])=O)O2))'
p14506
sS'CPD-17706'
p14507
S'C1(=C(C([O-])=O)OC(C(C1O)O)OC3(C(C(=O)[O-])OC(OC2(C(C(=O)[O-])OC(O)C(C2O)O))C(C3O)O))'
p14508
sS'CPD-17705'
p14509
S'C(C1(OC(C(C(C=1)O)O)O))([O-])=O'
p14510
sS'4-HYDROXY-BUTYRYL-COA'
p14511
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p14512
sS'CPD-13148'
p14513
S'C1(C=C(O)NC(C(=O)[O-])=1)'
p14514
sS'CPD-12712'
p14515
S'C(C3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)O)F)OS(N)(=O)=O'
p14516
sS'CPD-13144'
p14517
S'CC(=CC1(C=CC(=CC=1)N(=O)=O))C=C3(CCC(C2(=C(C)C(C(C)=C(OC)O2)=O))O3)'
p14518
sS'R-NORCOCLAURINE'
p14519
S'C3(CC1(=CC(O)=C(O)C=C1C(CC2(=CC=C(O)C=C2))[N+]3))'
p14520
sS'CPD-13143'
p14521
S'C([O-])(=O)C1(C=CC(N=O)=CC=1)'
p14522
sS'ISOFLAVONE'
p14523
S'C2(OC3(=C(C(=O)C(C1(C=CC=CC=1))=2)C=CC=C3))'
p14524
sS'BENZALDEHYDE'
p14525
S'C(=O)C1(=CC=CC=C1)'
p14526
sS'CPD-18614'
p14527
S'CCCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(OC)C'
p14528
sS'CPD-18617'
p14529
S'CC2(C(O)C(O)C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p14530
sS'CPD-6979'
p14531
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p14532
sS'CPD-18611'
p14533
S'CCCCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p14534
sS'CPD-18610'
p14535
S'CCCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP([O-])(=O)OC1(OC(CO)C(O)C(O)C(O)1)'
p14536
sS'CPD-18613'
p14537
S'CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC'
p14538
sS'CPD-6972'
p14539
S'CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O'
p14540
sS'CPD-6970'
p14541
S'CC(C(O)C(CC1(C=CC(=CC=1)Cl))N2(C=NC=N2))(C)C'
p14542
sS'CPD-6971'
p14543
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OCC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p14544
sS'CPD-18619'
p14545
S'CC4(C(O)C(OC1(OC(C)C(OC)C(OC)C(OC)1))C(O)C(OC3(C(OC)C(OC2(C=CC(C(OC)=O)=CC=2))OC(C)C(O)3))O4)'
p14546
sS'CPD-6974'
p14547
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OCC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p14548
sS'CPD-6975'
p14549
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(C=CC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p14550
sS'ALPHA-RIBAZOLE'
p14551
S'CC2(C(C)=CC1(N(C=NC=1C=2)C3(C(O)C(O)C(CO)O3)))'
p14552
sS'CPD-14485'
p14553
S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CC(C2C(C)3CCC(O)4)=O)CC([CH]=O)(C)CC5)C))))'
p14554
sS'CPD-18533'
p14555
S'C([O-])(=O)C1(C(O)=CC2(C=CC=CC(N=1)=2))'
p14556
sS'INDICAN'
p14557
S'C2(C=CC3(NC=C(OC1(OC(CO)C(O)C(O)C(O)1))C(C=2)=3))'
p14558
sS'N-ACETYL-TRYPTOPHANAMIDE'
p14559
S'CC(NC(C(N)=O)CC2(=CNC1(=CC=CC=C12)))=O'
p14560
sS'CPD0-1468'
p14561
S'C(OP(=O)([O-])[O-])C3(OC(N2(C=NC1(C(=O)NC(=O)NC=12)))CC(O)3)'
p14562
sS'CPD-17138'
p14563
S'C(C1(C(C(C(C(O1)=O)O)O)O))([O-])=O'
p14564
sS'OXIDIZED-LUCIFERIN'
p14565
S'C4(=CC=C(CC3(=C(NC(=O)CC1(C=CC=CC=1))N=CC(C2(=CC=C(O)C=C2))=N3))C=C4)'
p14566
sS'CPD-14486'
p14567
S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CCC2C(C)3CCC(O)4)CC(C(O)=O)(C)CC5)C))))'
p14568
sS'CORTICOSTERONE'
p14569
S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p14570
sS'CPD0-341'
p14571
S'C(N)(=O)CCCCC(SC(=O)CCC(=O)[O-])CCS'
p14572
sS'CPD0-1306'
p14573
S'CCCCCCC#CCC(N(C(C)=O)CCS)=O'
p14574
sS'CPD0-1305'
p14575
S'C1(O)(C(O)C(O)C2(OC(C(O)1)2))'
p14576
sS'CPD-15219'
p14577
S'CC(C(C(C(CO)=O)O)O)O'
p14578
sS'CPD0-1303'
p14579
S'C(O)C2(C(O)C(O)C(O)C(SC1(C([N+]([O-])=O)=CC=CC=1))O2)'
p14580
sS'CPD-12964'
p14581
S'CC(C)[CH]1(C(C)C=CC7(O1)(O[CH]4(CC(OC(=O)[CH]6(C=C(C(O)[CH]5(C(O)(C(=CC=CC(C)C(OC3(OC(C(OC2(OC(C(O)C(OC)C2)C))C(OC)C3)C))C(C)=CC4)CO5)6))C))C7)))'
p14582
sS'CPD-12967'
p14583
S'CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)O)OC(C)=O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)'
p14584
sS'CPD0-1300'
p14585
S'C1(OC(CO)C(O)C(O)C=1)'
p14586
sS'CPD-15649'
p14587
S'CC(C(OP([O-])(=O)[O-])CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(O)C[CH](C(=O)C=C23)4))))'
p14588
sS'CPD-15648'
p14589
S'CC3(C(O)C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)'
p14590
sS'ALPHA-RIBAZOLE-5-P'
p14591
S'CC2(C(C)=CC1(N(C=NC=1C=2)C3(C(O)C(O)C(COP([O-])(=O)[O-])O3)))'
p14592
sS'CPD0-1309'
p14593
S'C1(C=CC(=CC=1)S(=O)([O-])=O)[Hg]'
p14594
sS'CPD0-1308'
p14595
S'C(NCC(=O)[O-])P(O)([O-])=O'
p14596
sS'CPD0-1307'
p14597
S'CC(C(C)=O)C'
p14598
sS'25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET'
p14599
S'CC7(CCC5(C(C6(C4(C(C3(C(C2(C(CC(OC1(OC(C(O)C(O)C1O)CO))CC2)CC3)C)CC4))CC(O5)6)C))C)OC7)'
p14600
sS'CPD-12960'
p14601
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)=O))O))[N+](C)C))O)=O)O))=O)))O'
p14602
sS'2-METHOXY-ESTRADIOL-17B'
p14603
S'CC23(CCC1(C4(=CC(OC)=C(O)C=C(CCC1C(CCC(O)2)3)4)))'
p14604
sS'CPD-12963'
p14605
S'CCC(C)[CH]1(C(C)C=CC7(O1)(O[CH]4(CC(OC(=O)[CH]6(C=C(C(O)[CH]5(C(O)(C(=CC=CC(C)C(OC3(OC(C(OC2(OC(C(O)C(OC)C2)C))C(OC)C3)C))C(C)=CC4)CO5)6))C))C7)))'
p14606
sS'CPD-9898'
p14607
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C'
p14608
sS'CPD-9899'
p14609
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C'
p14610
sS'CPD0-1304'
p14611
S'C[N+](C)(C)C1(C(O)C(O)C(O)C(CO)O1)'
p14612
sS'CPD-15213'
p14613
S'C1(=O)(NC3(C(=O)NC1CC2(C=CC(O)=C(C=2)C4(C=C(C3)C=CC(O)=4))))'
p14614
sS'CPD-9890'
p14615
S'CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p14616
sS'CPD-9893'
p14617
S'C[N+]2(=CC5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=12)=3)4))))5)6)))'
p14618
sS'CPD-9894'
p14619
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C'
p14620
sS'CPD-9895'
p14621
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C)C)C'
p14622
sS'CPD-9896'
p14623
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C'
p14624
sS'CPD-9897'
p14625
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C)C)C'
p14626
sS'N-CARBAMOYLGLYCINE'
p14627
S'C(NC(=O)N)C(=O)[O-]'
p14628
sS'CPD-12966'
p14629
S'CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)O)O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)'
p14630
sS'V+5'
p14631
S'[V+++++]'
p14632
sS'CPD0-2458'
p14633
S'C1(=O)(NC=CP([O-])(=O)N1)'
p14634
sS'CPD-12537'
p14635
S'C(O)C1(O)(OC(C(=O)[O-])C(O)C(O)1)'
p14636
sS'CPD-12969'
p14637
S'C(C(O)P([O-])(=O)O)OP([O-])(=O)[O-]'
p14638
sS'CPD-15467'
p14639
S'CC(C)=CCC1(C(O)=CC=C(C=1)CC(C(=O)[O-])=O)'
p14640
sS'CPD-15393'
p14641
S'C1(=CN(C(=O)NC(=O)1)C2(CC(OP([O-])([O-])=O)C(CO)O2))'
p14642
sS'CPD-15392'
p14643
S'C1(=CN(C(=O)N=C(N)1)C2(CC(OP([O-])(=O)[O-])C(CO)O2))'
p14644
sS'CPD-15391'
p14645
S'C2(N=C1(N(C=NC1=C(N=2)N)C3(CC(C(O3)CO)OP([O-])([O-])=O)))'
p14646
sS'CPD-15462'
p14647
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)O))))C)'
p14648
sS'CPD-15469'
p14649
S'CC(COC1(OC(CO)C(C(O)C(O)1)O))CCC4(O)(O[CH]5(C[CH]6([CH]3(CC=C2(CC(CCC(C)2[CH]3CCC(C)(C(C(C)4)5)6)OC8(OC(CO)C(C(O)C(OC7(OC(C)C(O)C(O)C(O)7))8)OC9(OC(C)C(O)C(O)C(O)9)))))))'
p14650
sS'CPD-15468'
p14651
S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(OC)C(O2)=3)OC)))'
p14652
sS'CPD-15399'
p14653
S'CC1(N=C4(N(C(CCC([N+])C([O-])=O)=1)C(=O)C3(N=CN(C2(OC(CO)C(O)C(O)2))C=3N4)))'
p14654
sS'CPD-7140'
p14655
S'C(O)C6(C(C(C(C(OC3(=CC([O-])=CC2([O+]=C(C1(=CC=C(O)C=C1))C(=CC=23)OC5(C(O)C(O)C(O)C(COC(=O)C=CC4(=CC=C(O)C(O)=C4))O5))))O6)O)O)O)'
p14656
sS'CPD-7141'
p14657
S'C(OC(=O)C=CC1(=CC=C(O)C(O)=C1))C2(C(O)C(O)C(O)C(O2)OC4(=CC6(=C([O+]=C(C3(=CC=C(O)C=C3))4)C=C(C=C(OC5(C(C(C(C(O5)COC(=O)CC(=O)[O-])O)O)O))6)[O-])))'
p14658
sS'CPD-7142'
p14659
S'C(OC(=O)C=CC1(=CC=C(O)C(O)=C1))C2(C(O)C(O)C(O)C(O2)OC4(=CC6(=C([O+]=C(C3(=CC=C(O)C=C3))4)C=C(C=C(OC5(C(C(C(C(O5)COC(=O)CC(=O)[O-])OC(CC([O-])=O)=O)O)O))6)[O-])))'
p14660
sS'CPD-7144'
p14661
S'CC5(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(C=CC(O)=CC=2))3)C=C(O)C=C([O-])4))))O5)'
p14662
sS'CPD-7145'
p14663
S'CC5(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(=C(C=3)C([O-])=CC(O)=C4))))O5)'
p14664
sS'CPD-7146'
p14665
S'CC(CC1(OC(C=C(C=1)[O-])=O))C'
p14666
sS'CPD-7147'
p14667
S'CC(CC(CC1(OC(C=C(C=1)[O-])=O))=O)C'
p14668
sS'CPD-7148'
p14669
S'CC6(C(C(C(C(OCC5(OC(OC1(=CC3(C(=CC(=CC([O+]=C1C2(C=CC(=CC=2)O))=3)[O-])OC4(C(C(C(C(O4)CO)O)O)O))))C(C(C5O)O)O))O6)O)O)O)'
p14670
sS'LINOLENIC_ACID'
p14671
S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p14672
sS'CPD1F-437'
p14673
S'C1(C=C(O)C(O)=CC=1C3(OC4(C=C([O-])C=C(O)C(C(=O)C(OC2(OC(CO)C(O)C(O)C(O)2))=3)=4)))'
p14674
sS'CPD1F-431'
p14675
S'CC6(OC(OC5(C=C2(C(C(=O)C(=C(C1(=CC=C(O)C=C1))O2)OC3(OC(C(C(C3O)O)O)COC4(C(C(C(C(O4)CO)O)O)O)))=C(C=5)O)))C(C(C6O)O)O)'
p14676
sS'CPD-438'
p14677
S'C2(C=CC(C=CC1(=CC(=CC(=C1)O)O))=CC=2)'
p14678
sS'CPD-439'
p14679
S'CC(=O)NC(C([O-])=O)CC1(C=CC=CC=1)'
p14680
sS'CPD-18296'
p14681
S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=CC=C2))3)4))'
p14682
sS'2-HYDROXYMETHYL-3-ACETAMIDOMETHYLENE'
p14683
S'CC(NC=C(C(=O)[O-])C(CO)C(=O)[O-])=O'
p14684
sS'CPD-9476'
p14685
S'CC5(CCC4(C(CC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)O)C(=O)[O-])C'
p14686
sS'CPD-9477'
p14687
S'CC5(CCC4(C(CC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)O)C(=O)OC6(C(C(C(C(CO)O6)O)O)O))C'
p14688
sS'CPD-9474'
p14689
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)C(=O)[O-])C'
p14690
sS'P3I'
p14691
S'[O-]P(OP(=O)(OP([O-])(=O)[O-])[O-])([O-])=O'
p14692
sS'CPD-9472'
p14693
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C=O)O)C))C))C4C5)C)C(=O)OC6(C(C(C(C(CO)O6)O)O)O))C'
p14694
sS'CPD-9470'
p14695
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C=O)O)C))C))C4C5)C)C(=O)[O-])C'
p14696
sS'PYRUVATE'
p14697
S'CC(=O)C(=O)[O-]'
p14698
sS'2-KETO-ISOVALERATE'
p14699
S'CC(C(C([O-])=O)=O)C'
p14700
sS'CPD-433'
p14701
S'CC(CC(C(=O)[O-])NC(C)=O)C'
p14702
sS'BUTYRYL-P'
p14703
S'CCCC(OP([O-])([O-])=O)=O'
p14704
sS'CPD-926'
p14705
S'C1(=CC3(=C(C=C1)OC2(C(=CC=CC=2)3)))'
p14706
sS'CPD-7496'
p14707
S'CC(=CCCC(=CC=CC(C)=CC=CC(=CC=CC=C(C=CC=C(C)C=CC=C(CCC=C(C)C)C)C)C)C)C'
p14708
sS'CPD-431'
p14709
S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p14710
sS'CPD-14104'
p14711
S'C([O-])(=O)C1(OC([CH]=O)=CC=1)'
p14712
sS'CPD-14730'
p14713
S'CCCCCCCCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p14714
sS'6-DEMETHYLSTERIGMATOCYSTIN'
p14715
S'C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))'
p14716
sS'CPD-10371'
p14717
S'CCCC(NC(C(C)CC)C(NC2(COC(C4(CCCN(C(C(CC1(C=CC(=CC=1)O))NC(C(CC(N)=O)NC(CNC(C(CC(C)C)NC(CC(C(CC(C)C)NC(C3(CC(C)CN(C2=O)3))=O)=O)=O)=O)=O)=O)=O)4))=O))=O)=O'
p14718
sS'CPD-922'
p14719
S'C1(C=C2(OC3(=CC=CC=C(OC(=CC=1)2)3)))'
p14720
sS'CPD-435'
p14721
S'CC([S-])=O'
p14722
sS'CPD-18898'
p14723
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C=O)C(C=C)=C(N78)C=9))))))'
p14724
sS'MONO-VINYL-PROTOCHLOROPHYLLIDE-A'
p14725
S'C=CC2(C(C)=C4(C=C9(C(C)=C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p14726
sS'DCPIP'
p14727
S'C1(C=C(O)C=CC=1N=C2(C=C(Cl)C(=O)C(Cl)=C2))'
p14728
sS'CPD-741'
p14729
S'C(=O)(CC1(C=CC(=O)O1))[O-]'
p14730
sS'CPD-13706'
p14731
S'CC34(CCC2(O)([CH](CCC1(=CC(=O)CCC(C)12))[CH](CCC(=O)3)4))'
p14732
sS'CPD-11399'
p14733
S'CC1(CCC3(O)(C(C)(C)C2(CCC(C)(C1C2)3)))'
p14734
sS'CPD-11398'
p14735
S'C(=O)([O-])C([N+])CC1(=CC(I)=C(C(I)=C1)OC3(C=C(I)C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))=C(I)C=3))'
p14736
sS'CPD-13700'
p14737
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))'
p14738
sS'CPD-11393'
p14739
S'CC(C)=CCCC(C)C1(CCC(C)=CC=1)'
p14740
sS'CPD-11392'
p14741
S'CC(C)=CCCC(C)C1(=CCC(C)=CC1)'
p14742
sS'CPD-743'
p14743
S'C1(C2(CC3(CC1CC(C2)C3=O)))'
p14744
sS'CPD-11396'
p14745
S'C(C(CC1(=CC(I)=C(C(=C1)I)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p14746
sS'CPD-13708'
p14747
S'CC1(C=CC(O)=CC=1CC[CH]3([CH]2(C(C)(C(=O)CC2)CCC(=O)3)))'
p14748
sS'CPD-11394'
p14749
S'C1(N(C(=O)COP(=O)([O-])OP(=O)([O-])[O-])C(C(=O)[O-])CC1)'
p14750
sS'BERBERINE'
p14751
S'COC5(=C(OC)C4(=C[N+]3(CCC2(=CC1(=C(OCO1)C=C2C=3C=C4C=C5)))))'
p14752
sS'SN-GLYCEROL-1-PHOSPHATE'
p14753
S'C(OP([O-])(=O)[O-])C(O)CO'
p14754
sS'CPD-8259'
p14755
S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p14756
sS'CPD-600'
p14757
S'C(=O)NC(CCC(=O)[O-])C(=O)[O-]'
p14758
sS'ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE'
p14759
S'CCOC(=O)C(C)C(C)O'
p14760
sS'CPD-602'
p14761
S'C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)'
p14762
sS'CPD-605'
p14763
S'CC1(C(=CC2(=C(C=1)N=C3(C(=N2)NC(NC3=O)=O)))C)'
p14764
sS'CPD-607'
p14765
S'C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(O)([O-])=O)([O-])=O)([O-])=O)([O-])=O'
p14766
sS'CPD-606'
p14767
S'C(O)C(O)COP(OP(OCC1(OC(C(C1O)O)N2(C(N=C(C=C2)N)=O)))(=O)[O-])(=O)[O-]'
p14768
sS'CPD-609'
p14769
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23))))C4(OC(C(O)C(O)4)N6(C=NC5(C(=O)NC(N)=NC=56)))'
p14770
sS'CPD-8250'
p14771
S'CC5(C(C)[CH]4(C(C)(CCC3(C)(C2(C)([CH](C1(C)([CH](C(C)(C)C(O)CC1)CC2))CC=C34)))CC5))'
p14772
sS'CPD-8253'
p14773
S'C(O)C2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)'
p14774
sS'CPD-8255'
p14775
S'C(C4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2))O3))O4))O'
p14776
sS'CPD-8254'
p14777
S'C(C3(C(O)C(O)C(O)C(OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2))O3))O'
p14778
sS'CPD-8257'
p14779
S'C(O)C2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C1O))O2)'
p14780
sS'CPD-8256'
p14781
S'C(C3(C(O)C(O)C(O)C(OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C1O))O2))O3))O'
p14782
sS'CPD-8785'
p14783
S'C=C(C)C1(CC=C(C)CC1)'
p14784
sS'P-HYDROXY-PHENYLPYRUVATE'
p14785
S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p14786
sS'CPD-8783'
p14787
S'C(=NC1(C=C(C(=CC=1)C=CC2(C(=CC(=CC=2)N=C=S)S(=O)(=O)[O-]))S(=O)(=O)[O-]))=S'
p14788
sS'CPD-8782'
p14789
S'CC(=O)C=CC=C(O)C([O-])=O'
p14790
sS'CPD-8781'
p14791
S'CC(=CC=C(C([O-])=O)O)C=O'
p14792
sS'CPD-8780'
p14793
S'C(C1(C=C(C=CC=1)F))=O'
p14794
sS'UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE'
p14795
S'C=C(OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3))C(=O)[O-]'
p14796
sS'CPD-6367'
p14797
S'C1(C(=CC2(OC(C(N(C(C=1)=2)[O-])=O)O))O)'
p14798
sS'CPD-6366'
p14799
S'COC1(C=CC2(=C(C=1)OC(C(N2[O-])=O)O))'
p14800
sS'CPD-6365'
p14801
S'C1(C=CC2(OC(C(N(C(C=1)=2)[O-])=O)O))'
p14802
sS'CPD-6364'
p14803
S'C1(C=CC2(OC(C(NC(C=1)=2)=O)O))'
p14804
sS'CPD-9788'
p14805
S'C[N+]3(C2(CC4(C(C1(=C(OC)C(OC)=C(OC)C=C1C2))(CC3)C=C(C(C=4)=O)OC)))'
p14806
sS'CPD-9789'
p14807
S'C[N+]4(C2(CC3(C(C1(=C(OC)C(OC)=C(O)C=C1C2))(C=C(C(C=3)=O)OC)CC4)))'
p14808
sS'CPD-6361'
p14809
S'C1(CC2(C(N1)=CC=CC=2))(=O)'
p14810
sS'CPD-9785'
p14811
S'CC(NC2(C1(=CC(C(=CC=C1C3(C(=C(C(=CC(CC2)=3)OC)OC)OC))OC)=O)))=O'
p14812
sS'CPD-9786'
p14813
S'COC1(=CC=C2(CCC(C3(=C(C(=CC1=O)2)C(=C(C(=C3)OC)OC)OC))[N+]))'
p14814
sS'CPD-9787'
p14815
S'C[N+]C2(CCC3(C=C(C(=C(C(C1(C(=CC(=O)C(=CC=1)OC)2))=3)OC)OC)OC))'
p14816
sS'CPD-9780'
p14817
S'CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O'
p14818
sS'CPD-9781'
p14819
S'CCCCCCCCCCCCCC(O)CC(=O)[O-]'
p14820
sS'VANILLYL_MANDELATE'
p14821
S'COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])'
p14822
sS'QUINOLIN-28-DIOL'
p14823
S'C1(C=C(O)C2(N=C(O)C=CC(C=1)=2))'
p14824
sS'CPD-8439'
p14825
S'CCCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p14826
sS'CPD-8438'
p14827
S'CCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p14828
sS'MALTOTETRAOSE'
p14829
S'C(C4(OC(OC3(C(OC(OC2(C(OC(OC1(C(OC(O)C(C1O)O)CO))C(C2O)O)CO))C(C3O)O)CO))C(C(O)C4O)O))O'
p14830
sS'CPD-8435'
p14831
S'CCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p14832
sS'CPD-8434'
p14833
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCCCCCCC)=O)O'
p14834
sS'CPD-8437'
p14835
S'CCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p14836
sS'CPD-8436'
p14837
S'CCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p14838
sS'CPD-8431'
p14839
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCCCC)=O)O'
p14840
sS'CPD-8430'
p14841
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCCC)=O)O'
p14842
sS'CPD-8433'
p14843
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCCCCCC)=O)O'
p14844
sS'CPD-8432'
p14845
S'CCCCCCCCCC=CCCC=CC(C(CO)NC(C(O)CCCCCCCCCCCC)=O)O'
p14846
sS'13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO'
p14847
S'C(O)C2(OC(OC1(C(O)C(CO)OC(O[R])C(NC(=O)O)1))C(O)C(O)C(O)2)'
p14848
sS'R-1-AMINOPROPAN-2-YL-PHOSPHATE'
p14849
S'CC(C[N+])OP(=O)([O-])[O-]'
p14850
sS'CPD-17426'
p14851
S'CSO'
p14852
sS'CPD-18893'
p14853
S'CC(C)CCCC(C)CCCC(C)=CCCC(C)=CCO'
p14854
sS'CANAVANINE'
p14855
S'C(CC([N+])C(=O)[O-])ONC(=[N+])N'
p14856
sS'2-OXOSTEARATE'
p14857
S'CCCCCCCCCCCCCCCCC(=O)C(=O)[O-]'
p14858
sS'CPD-13969'
p14859
S'CC1(OC(O)CC(C)(O)C(O)1)'
p14860
sS'CPD-9280'
p14861
S'CCS(=O)CC([N+])C([O-])=O'
p14862
sS'CPD0-1952'
p14863
S'CCC([N+])C(=O)[O-]'
p14864
sS'CPD0-1481'
p14865
S'CC1(C=CC(CCC(C)C(=O)[O-])C=C1)'
p14866
sS'CPD0-1482'
p14867
S'CC[S+](CCC(C(=O)[O-])[N+])CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p14868
sS'CPD0-1951'
p14869
S'C(S)C(CO)O'
p14870
sS'CPD0-1484'
p14871
S'C[S+](CCC(C(=O)[O-])O)CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p14872
sS'CPD0-1957'
p14873
S'C(S(=O)(=O)[O-])CN1(C(=O)C2(C(C(=O)1)=CC=CC=2))'
p14874
sS'CPD0-1486'
p14875
S'C(OP([O-])([O-])=O)C(O)C(O)C(O)CNC1(C(C(=O)[O-])=CC=CC=1)'
p14876
sS'CPD0-1487'
p14877
S'C(=O)([O-])C1(=CC(F)=CC=C(N)1)'
p14878
sS'CPD0-1488'
p14879
S'CC1(C=C(C(=O)[O-])C(N)=CC=1)'
p14880
sS'CPD0-1489'
p14881
S'CC1(C=C(N)C(C(=O)[O-])=CC=1)'
p14882
sS'CPD0-1958'
p14883
S'C1(N(CCCS(=O)([O-])=O)CCOC1)'
p14884
sS'CPD-697'
p14885
S'CC(C(C(C(C(C)C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)OCC([CH](CC2)3)4)O)O)C))(C)))O)O)C)C'
p14886
sS'PLASTOQUINONE-9'
p14887
S'CC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCC1(=CC(C(=C(C1=O)C)C)=O))C)C)C)C)C'
p14888
sS'12-DIHYDROVOMILENINE'
p14889
S'CC=C4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p14890
sS'CPD-695'
p14891
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p14892
sS'CPD-692'
p14893
S'CC(=CC=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p14894
sS'CPD0-2459'
p14895
S'C(O)C[NH+](CCO)CCO'
p14896
sS'CPD-693'
p14897
S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p14898
sS'CPD-16860'
p14899
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)(O)C(OC)(C)C)C)C)C)C)C)C)C'
p14900
sS'CPD-16861'
p14901
S'CC(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)C(OC)(C)C)C)C)C'
p14902
sS'CPD-16862'
p14903
S'CC(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(O)(O)C(OC)(C)C)C)C)C'
p14904
sS'CPD-16863'
p14905
S'CC(C=CC=C(C)C=CC=C(C=CC(O)C(OC)(C)C)C)=CC=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)C'
p14906
sS'CPD-16864'
p14907
S'CC(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)=CC=CC=C(C=CC=C(C)C=CC=C(C=CC(O)(O)C(OC)(C)C)C)C'
p14908
sS'CPD-16865'
p14909
S'CC(CC(=O)[O-])C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p14910
sS'CPD-16866'
p14911
S'CC(=O)C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p14912
sS'N-METHYLANTHRANILOYL-COA'
p14913
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C=CC=CC(NC)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p14914
sS'CPD-16868'
p14915
S'C1(=C(O)C=CC(S(=O)(=O)[O-])=C1)'
p14916
sS'CPD-16869'
p14917
S'CCCCCCCCC(C)C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p14918
sS'CPD-12150'
p14919
S'CC(C)CC([N+])C([O-])=O'
p14920
sS'CPD-12151'
p14921
S'C1(N=CNC=1CC(C([O-])=O)[N+])'
p14922
sS'CPD-12152'
p14923
S'CC(=O)NC(CS[As]([O-])(=O)[O-])C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p14924
sS'CPD-12153'
p14925
S'C1(C(=C(S([O-])(=O)=O)C(=CC=1[N+]([O-])=O)[N+](=O)[O-])[N+](=O)[O-])'
p14926
sS'CPD-12156'
p14927
S'CC(C)=CCC1(=CC=CC2(C(=CNC1=2)CC([N+])C(=O)[O-]))'
p14928
sS'CPD-12159'
p14929
S'CC(CCC=C1(CC1))[CH]4(CC[CH]5(C3(CC[CH]2(CC(O)CCC(C)2C=3CCC(C)45))))'
p14930
sS'FERRIC-CITRATE-COMPLEX'
p14931
S'C1(C(O[Fe]234(OC(C(O)1CC(O2)O)O)(OC(C(O)(CC(O3)O)CC(O4)O)O))O)'
p14932
sS'CPD-15460'
p14933
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)O)))C)'
p14934
sS'CPD-18552'
p14935
S'C1(SC2(C(C=1)N=C(C([O-])=O)C=C2))'
p14936
sS'CPD-18881'
p14937
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)[O-])C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C=O)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p14938
sS'CPD-10130'
p14939
S'CC(=CC1(C=CC(=CC=1)OC3(C(C(C(=C(COC2(C(C(C(C(C)O2)OC)OC)O))OC)O3)O)O)))C(NC4(C(CO)OC(C4O)N6(C=NC5(C(=NC=NC=56)N(C)C))))=O'
p14940
sS'CPD-10131'
p14941
S'COC1(C=CC(=CC=1)CC(C(NC2(C(C(=O)O)OC(C2O)N4(C=NC3(C(N)=NC=NC=34))))=O)N)'
p14942
sS'CPD-1945'
p14943
S'C([O-])(=O)C1(CC(=O)C(CC1)O)'
p14944
sS'CPD-10135'
p14945
S'CC(C)CCCCC(=O)C1(C(=O)OCC(CO)1)'
p14946
sS'CPD-11569'
p14947
S'C1(C=C(C=C(C=1)C(CC(C(=O)[O-])[N+])=O)[N+](=O)[O-])'
p14948
sS'CPD-10137'
p14949
S'C[N+]C3(C(OP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(C(C3O)O)CO)'
p14950
sS'CPD-10427'
p14951
S'C1(=C(N)C=CC(S(=O)(=O)[O-])=C1)'
p14952
sS'CPD-10424'
p14953
S'C2(C=CC1(=C(S(=O)(=O)[O-])C=CC=C1C=2))'
p14954
sS'CPD-10425'
p14955
S'C1(C=C(C=CC=1NN=C2(C(C(=O)[O-])=NN(C2=O)C3(C=CC(=CC=3)S(=O)(=O)[O-])))S(=O)(=O)[O-])'
p14956
sS'CPD-10422'
p14957
S'CN3(C1(=CC(C=CC1=NC2(C(C(=O)[O-])=CC(S(=O)(=O)[O-])=CC=23))=[NH]))'
p14958
sS'CPD-10423'
p14959
S'C1(C=C([N+](=O)[O-])C=C(C=1)S([O-])(=O)=O)'
p14960
sS'CPD-10420'
p14961
S'C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)'
p14962
sS'CPD-7969'
p14963
S'CC(=CCCC(C)=O)C'
p14964
sS'CPD-7966'
p14965
S'C(O)C1(C(O)C(O)C(O)C(O1)OC6(C5(C=C(OC2(C(O)C(O)C(O)C(CO)O2))C(C4(=CC(O)=C(O)C(OC3(C(O)C(O)C(O)C(CO)O3))=C4))=[O+]C=5C=C([O-])C=6)))'
p14966
sS'CPD-7965'
p14967
S'C(O)C8(C(O)C(O)C(O)C(OC4(C(C3(=CC(O)=C(O)C(OC2(C(O)C(O)C(O)C(COC(=O)C=CC1(=CC=C(O)C(O)=C1))O2))=C3))=[O+]C7(=C(C=4)C(OC6(C(O)C(O)C(O)C(COC(=O)C=CC5(=CC=C(O)C(O)=C5))O6))=CC([O-])=C7)))O8)'
p14968
sS'CPD-7963'
p14969
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(O)=C(O)C=C(C=2)C4(C(OC3(OC(CO)C(O)C(O)C(O)3))=CC7(=C([O+]=4)C=C([O-])C=C(OC6(C(O)C(O)C(O)C(COC(=O)C=CC5(=CC=C(O)C(O)=C5))O6))7))))'
p14970
sS'CPD-10428'
p14971
S'C1(=CC(S(=O)(=O)[O-])=CC(S(=O)(=O)[O-])=C1)'
p14972
sS'CPD-18885'
p14973
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p14974
sS'METHYLAMINE'
p14975
S'C[N+]'
p14976
sS'KDO-LIPID-IVA'
p14977
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))OP([O-])([O-])=O))'
p14978
sS'CPD-18554'
p14979
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(CO)=CC3)))'
p14980
sS'CPD-18869'
p14981
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(C)C2(N([Mg]36(N1(=C(C(CC(C)(C)C)=C(C)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p14982
sS'CPD-18864'
p14983
S'CCCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p14984
sS'CPD-18865'
p14985
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p14986
sS'CPD-18862'
p14987
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)[O-])C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C)C1=CC4(=C(C(O)C)C(C)=C(C(C)=2)N34))C=C5N6C7=8)))=9)))))'
p14988
sS'CPD-18863'
p14989
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p14990
sS'CPD-18860'
p14991
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p14992
sS'CPD-18861'
p14993
S'CCCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p14994
sS'CPD-14857'
p14995
S'COC1(C(O)=CC(=CC=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p14996
sS'CPD-10876'
p14997
S'C1(=C(F)C=C(O)C(O)=C(Cl)1)'
p14998
sS'CPD-10415'
p14999
S'CC(C)CC(C(NC(C)C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NCCO)=O)CC2(=CNC1(=CC=CC=C12)))=O)CC(C)C)=O)CC4(=CNC3(=CC=CC=C34)))=O)CC(C)C)=O)CC6(=CNC5(=CC=CC=C56)))=O)CC(C)C)=O)CC8(=CNC7(=CC=CC=C78)))=O)C(C)C)=O)C(C)C)=O)C(C)C)=O)=O)NC(C(C)NC(CNC(C(C(C)C)NC=O)=O)=O)=O'
p15000
sS'CPD-18889'
p15001
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p15002
sS'CPD-8736'
p15003
S'CC(C1(=CCC(=CC1)C))C'
p15004
sS'CPD-10870'
p15005
S'C1(=C(Cl)C=CC(=C1)O)'
p15006
sS'CPD-14854'
p15007
S'COC1(=C(O)C(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C=C(OC)C=3)))'
p15008
sS'CPD-9287'
p15009
S'CCCCCCCCCC'
p15010
sS'CPD66-76'
p15011
S'CCC=CCC(O)C=CC=CCC=CC=CC(OO)CC=CCCC(=O)[O-]'
p15012
sS'CPD-14850'
p15013
S'C(O)C3(OC(C(OC2(OC(CO)C(O)C(O)C(OC1(C(C(C(O)C(O1)CO)O)O))2))C(O)C(O)3)OC4(C(C6(=C(OC=4C5(=CC(O)=C(O)C=C5))C=C(O)C=C(O)6))=O))'
p15014
sS'CPD-8738'
p15015
S'CC(=CCC=C(C1(CCC(=CC1)C))C)C'
p15016
sS'CPD-15431'
p15017
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))NC(C)=O))C)C)C)C)C)C)C'
p15018
sS'CPD-9286'
p15019
S'CCCCCCC'
p15020
sS'CPD0-2139'
p15021
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC9(OC(CO)C(OC8(OC(C(=O)[O-])C(OC7(OC(C)C(NC(C)=O)C(OC6(OC(CO)C(OC5(OC(C(=O)[O-])C(OC4(OC(C)C(NC(C)=O)C(OC3(OC(CO)C(OC2(OC(C(=O)[O-])C(OC1(OC(C)C(NC(=O)C)C(O)C(O)1))C(O)C(NC(C)=O)2))C(O)C(NC(C)=O)3))C(O)4))C(O)C(NC(C)=O)5))C(O)C(NC(C)=O)6))C(O)7))C(O)C(NC(C)=O)8))C(O)C(NC(C)=O)9))C'
p15022
sS'CPD0-2138'
p15023
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%12(OC(CO)C(OC%11(OC(C(=O)[O-])C(OC%10(OC(C)C(NC(C)=O)C(OC9(OC(CO)C(OC8(OC(C(=O)[O-])C(OC7(OC(C)C(NC(C)=O)C(OC6(OC(CO)C(OC5(OC(C(=O)[O-])C(OC4(OC(C)C(NC(=O)C)C(OC3(OC(CO)C(OC2(OC(C(=O)[O-])C(OC1(OC(C)C(NC(=O)C)C(O)C(O)1))C(O)C(NC(C)=O)2))C(O)C(NC(C)=O)3))C(O)4))C(O)C(NC(C)=O)5))C(O)C(NC(C)=O)6))C(O)7))C(O)C(NC(C)=O)8))C(O)C(NC(C)=O)9))C(O)%10))C(O)C(NC(C)=O)%11))C(O)C(NC(C)=O)%12))C'
p15024
sS'CPD0-2135'
p15025
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC6(OC(CO)C(OC5(OC(C(=O)[O-])C(OC4(OC(C)C(NC(C)=O)C(OC3(OC(CO)C(OC2(OC(C(=O)[O-])C(OC1(OC(C)C(NC(C)=O)C(O)C(O)1))C(O)C(NC(C)=O)2))C(O)C(NC(C)=O)3))C(O)4))C(O)C(NC(C)=O)5))C(O)C(NC(C)=O)6))C'
p15026
sS'23-DIPHOSPHOGLYCERATE'
p15027
S'C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]'
p15028
sS'CPD0-2133'
p15029
S'CCCCCCCCCCCCCCCCCC(OC(COP(OCC(O)CO)([O-])=O)CO)=O'
p15030
sS'CPD-2743'
p15031
S'C1(CC[CH](N(=O)(C)1)C2(=CN=CC=C2))'
p15032
sS'CPD-7149'
p15033
S'C(OC(CC(=O)[O-])=O)C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)O)[O-])))'
p15034
sS'AMINO-PARATHION'
p15035
S'CCOP(OC1(C=CC(=CC=1)N))(OCC)=S'
p15036
sS'CPD-18630'
p15037
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC'
p15038
sS'N-ACETYL-NEURAMINATE-9P'
p15039
S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)COP([O-])([O-])=O)O)'
p15040
sS'CPD-17233'
p15041
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)C(O)CC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(CN[CH]=O)=C1))C=C2)'
p15042
sS'CPD66-70'
p15043
S'CCC(O)C=CC=CCC=CC=CC=CC1(OC1CCCC(=O)[O-])'
p15044
sS'CPD-14259'
p15045
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC7(OC(C)C(NC(=O)C)C(OC6(C(NC(C)=O)C(O)C(OC5(OC(CO)C(OC4(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(O)C(NC(C)=O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))C(NC(C)=O)4))C(O)C(NC(C)=O)5))C(CO)O6))C(NC(=O)C)7))([O-])=O)C)C)C)C)C)C)C'
p15046
sS'CPD-14258'
p15047
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC6(OC(C)C(NC(=O)C)C(OC5(C(NC(C)=O)C(O)C(OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(O)C(NC(C)=O)2))C(O)C(NC(C)=O)3))C(O)C(NC(C)=O)4))C(CO)O5))C(NC(=O)C)6))([O-])=O)C)C)C)C)C)C)C'
p15048
sS'CPD-14709'
p15049
S'C1(C=CC([Hg]Cl)=CC=1)'
p15050
sS'CPD-18289'
p15051
S'CC1(C=C(CO)C=CC=1O)'
p15052
sS'CPD-18990'
p15053
S'CCCCCCCCC(=O)C'
p15054
sS'CHOLESTEROL'
p15055
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p15056
sS'CPD-14703'
p15057
S'C=CCC3(C=CC(OC2(OC(COC1(OCC(O)(CO)C(O)1))C(O)C(O)C(O)2))=CC=3)'
p15058
sS'CPD-17540'
p15059
S'CCC(C)C(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p15060
sS'CPD-14701'
p15061
S'CCCCC([N+])CC'
p15062
sS'CPD-14252'
p15063
S'C=CCCCCCCCCCCCC=CCCCC'
p15064
sS'CPD-14707'
p15065
S'CCCCCC(O)C(CC=O)SCC(NC(C)=O)C(=O)[O-]'
p15066
sS'CPD-18287'
p15067
S'C=C1(C(=O)OCC(O)1)'
p15068
sS'CPD-18284'
p15069
S'CC=C(C)C2(C(C([O-])=C1(C(=O)NC(CC(C(=O)[O-])(C)O)C(=O)1))[CH]3([CH](C=C2)CC(C)CC(C)3))'
p15070
sS'CPD-18285'
p15071
S'CC=C(C)C2(C(C([O-])=C1(C(=O)NC(CC(O)(C)C(=O)[O-])C(=O)1))[CH]3([CH](C=C2)CC(C)CC(C)3))'
p15072
sS'CPD-6561'
p15073
S'CON2(C(=O)C(OC1(=CC(=CC=C12)OC))OC3(OC(CO)C(O)C(O)C(O)3))'
p15074
sS'METHYLENE-THF'
p15075
S'C4(NC1(N=C(N)NC(=O)C=1N3(CN(C2(=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O))C[CH]34)))'
p15076
sS'QUINOLINATE'
p15077
S'C1(=CC=C(C(C([O-])=O)=N1)C([O-])=O)'
p15078
sS'CPD-6562'
p15079
S'COC1(=CC=C3(C(=C1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p15080
sS'CPD-17542'
p15081
S'CC(C)C(C([O-])=O)NC(C(C[N+])NC(=O)C=CC(N)=O)=O'
p15082
sS'CPD-17543'
p15083
S'CC(C)C(C(=O)[O-])NC(=O)C(C[N+])NC(=O)C1(OC(C(=O)N)1)'
p15084
sS'CPD-3764'
p15085
S'CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCC[N+]'
p15086
sS'TAXA-411-DIENE'
p15087
S'CC1(=CCCC2(C)(CCC3(=C(C)CCC(CC12)C(C)(C)3)))'
p15088
sS'CPD-3766'
p15089
S'CC2(=CC(C1(C=CC=CC=1C2=O))=O)'
p15090
sS'CPD-13952'
p15091
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C(=O)C3)))'
p15092
sS'CPD-13951'
p15093
S'CCC1(C(O)(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(O)C2)C))C)OC3(OC(CC([N+](C)C)C(O)3)C))'
p15094
sS'CPD-8047'
p15095
S'COC1(C(C(C(C(C1O)O)O)OC2(OC(C(C(C2O)O)O)CO))O)'
p15096
sS'CPD-13956'
p15097
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C(O)C2))O3))'
p15098
sS'CPD-13955'
p15099
S'CC8(C(OC2(OC(C)C(O)C(OC1(OC(C)C(O)C(O)C1))C2))=CC7(C(=C(O)C6(C(=O)C(OC5(OC(C)C(O)C(OC4(OC(C)C(O)C(OC3(OC(C)C(O)C(O)(C)C3))C4))C5))[CH](C(OC)C(=O)C(O)C(O)C)CC=6C=7))C(O)=8))'
p15100
sS'CPD-15383'
p15101
S'C(O)C(O)C(O)C(O)C(O)[CH]=O'
p15102
sS'CPD-14251'
p15103
S'C=CCCCCCC=CCC=CCC=CCC'
p15104
sS'CPD-17549'
p15105
S'C(=O)([O-])C(=O)CC1(C=CC(O)CC1)'
p15106
sS'CPD-18130'
p15107
S'C([O-])(=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p15108
sS'CPD-18131'
p15109
S'[CH](=O)C=CC([CH]=O)=CC=C(O)C([O-])=O'
p15110
sS'CPD-18132'
p15111
S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(O)1)'
p15112
sS'CPD-18133'
p15113
S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p15114
sS'CPD-18134'
p15115
S'C(O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p15116
sS'CPD-18135'
p15117
S'C([O-])(=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p15118
sS'CPD-18137'
p15119
S'C1(C=C2(C(=N1)C=CC=C2))(=O)'
p15120
sS'CPD-18138'
p15121
S'C1(C(=O)C2(=C(N=1)C=CC=C2))'
p15122
sS'CPD-18139'
p15123
S'C1(C=C2(C(N=1)=CC=CC(=O)2))'
p15124
sS'CPD-8515'
p15125
S'CCCCCCCCCCCCC(CC)C'
p15126
sS'OBTUSIFOLIOL'
p15127
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p15128
sS'CPD-4903'
p15129
S'C=CC(=CCC=C(C)C)C'
p15130
sS'L-RIBULOSE'
p15131
S'C(O)C(O)C(O)C(=O)CO'
p15132
sS'CPD-4902'
p15133
S'CC1(C)(C3(C)(C2(C(CC1C2)3)))'
p15134
sS'CPD-18956'
p15135
S'CCCCO[CH]=O'
p15136
sS'D-ALLULOSE-6-PHOSPHATE'
p15137
S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(=O)CO'
p15138
sS'CPD-18957'
p15139
S'CCCO[CH]=O'
p15140
sS'CPD-14987'
p15141
S'COC1(=CC(=CC=C(O)1)C2(OC6(C(C(=O)C=2OC4(OC(C(O)C(OC(=O)C=CC3(C=CC(O)=CC=3))C(O)4)COC(=O)C=CC5(C=CC(O)=CC=5)))=C(O)C=C(O)C=6)))'
p15142
sS'CPD-3801'
p15143
S'C(C1(C(C(C(C(O1)OCC(C(C(C(C(=O)[O-])O)O)O)O)O)O)O))O'
p15144
sS'CPD-14986'
p15145
S'COC6(C=C(C=CC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))=O)C=CC(O)=6)'
p15146
sS'GLUTAMIDE'
p15147
S'C(=O)(N)CCC([N+])C([O-])=O'
p15148
sS'CPD-18952'
p15149
S'CCCCOCO'
p15150
sS'CPD-18492'
p15151
S'CCCCCC=CCC=CCC=CCC=CCC=CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p15152
sS'CPD-18953'
p15153
S'CC1(=CC=CC=C(N)1)'
p15154
sS'CPD-9475'
p15155
S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)C(=O)OC6(C(C(C(C(CO)O6)O)O)O))C'
p15156
sS'CPD-18950'
p15157
S'CCC1(C=CC=C(C)C(N(C(=O)CCl)COCC)=1)'
p15158
sS'CPD-14982'
p15159
S'C(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))(=O)C=CC6(C=CC(O)=CC=6)'
p15160
sS'CPD-59'
p15161
S'CCCC=CC(C=CC=CCCCCCCCC([O-])=O)OO'
p15162
sS'CPD-58'
p15163
S'C(C(C1(C=CC(=CC=1)O))O)[N+]'
p15164
sS'CPD-15078'
p15165
S'C1(=CC=C(C=C1)C(=O)CC(=O)C2(=C(O)C=C(O)C=C(O)2))'
p15166
sS'CPD-15079'
p15167
S'C1(C=C(O)C(O)=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C(O)C=3)))'
p15168
sS'CPD-15072'
p15169
S'CC5(OC(OCC4(OC(OC3(C(C1(C(=CC(=CC(O)=1)O)OC(C2(C=CC(=CC=2)O))=3))=O))C(C(C4O)O)O))C(C(C5O)O)O)'
p15170
sS'N-FORMYL-N-HYDROXY-AMINOACETATE'
p15171
S'C(C(=O)[O-])N(O)C=O'
p15172
sS'CPD-53'
p15173
S'CCCCCCCCCCC(C(CCC([O-])=O)(C([O-])=O)O)C([O-])=O'
p15174
sS'CPD-15071'
p15175
S'CC[CH](OC2(OC(COC1(OCC(O)(CO)C(O)1))C(O)C(O)C(O)2))C'
p15176
sS'CPD-55'
p15177
S'CCCCCCCCCCCCCCCCC[CH]=O'
p15178
sS'CPD-15077'
p15179
S'C1(C=C(O)C(O)=CC=1C(=O)CC(=O)C2(=C(O)C=C([O-])C=C(O)2))'
p15180
sS'CPD-57'
p15181
S'CCCCCCCCC(CCCCCCCCC([O-])=O)O'
p15182
sS'CPD-56'
p15183
S'C1(=C(O)C=C(O)C2(C(=O)CC(O)CC1=2))'
p15184
sS'IMIDAZOLE-PROPIONATE'
p15185
S'C1(N=CN(CCC(=O)[O-])C=1)'
p15186
sS'3OH-4P-OH-ALPHA-KETOBUTYRATE'
p15187
S'C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]'
p15188
sS'L-AZASERINE'
p15189
S'C(C(OCC(C(=O)[O-])[N+])=O)=[N+]=N'
p15190
sS'7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL'
p15191
S'CC(=O)OCC1(CSC2(C(NC(=O)CCCC(=O)C(=O)[O-])C(=O)N(C(C(=O)[O-])=1)2))'
p15192
sS'CPD-15608'
p15193
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(C(O)C[CH]12)O))3))4)'
p15194
sS'CPD-170'
p15195
S'C(O)C1(C(O)C(O)C(O)C(O1)OCC4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OC2(CO)(C(O)C(O)C(CO)O2))O3))O4))'
p15196
sS'6-HYDROXYPROTOPINE'
p15197
S'CN4(CCC1(C(=CC2(OCOC(C=1)=2))C(CC5(C=CC3(OCOC=3C(C4O)=5)))=O))'
p15198
sS'CPD-14254'
p15199
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC1(OC(C)C(NC(=O)C)C(O)C(NC(=O)C)1))([O-])=O)C)C)C)C)C)C)C'
p15200
sS'CPD-7779'
p15201
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC'
p15202
sS'CPD-7778'
p15203
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC'
p15204
sS'CPD-7773'
p15205
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p15206
sS'CPD-7772'
p15207
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p15208
sS'CPD-7771'
p15209
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p15210
sS'CPD-7770'
p15211
S'CC(C(C(=CC1(C=CC(=CC=1)Cl))N2(C=NC=N2))O)(C)C'
p15212
sS'CPD-7777'
p15213
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p15214
sS'CPD-7776'
p15215
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p15216
sS'CPD-7775'
p15217
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p15218
sS'CPD-7774'
p15219
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p15220
sS'CPD-14257'
p15221
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC3(OC(C)C(NC(=O)C)C(OC2(C(NC(C)=O)C(O)C(OC1(OC(CO)C(O)C(O)C(NC(C)=O)1))C(CO)O2))C(NC(=O)C)3))([O-])=O)C)C)C)C)C)C)C'
p15222
sS'CPD-16679'
p15223
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(CO)CCCC34C)))'
p15224
sS'CPD-16678'
p15225
S'CC1(=C(C([O-])=O)C(OC)=CC2(C1=C(O)C3(=C(C=2)C(=O)C4(=C(C(=O)3)C(O)=CC(OC)=C4))))'
p15226
sS'CPD-16675'
p15227
S'C=CC3(C(C)C2(C(C1(CCC(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p15228
sS'CPD-16674'
p15229
S'C=CC3(C(C)C2(C(C1(C(CC(C(C1CC2)(C)C)=O)O)(C))C(C=3)=O))'
p15230
sS'CPD-16677'
p15231
S'CC1(=C(C(OC)=O)C(OC)=CC2(C1=C(O)C3(=C(C=2)C(=O)C4(=C(C(=O)3)C(O)=CC(OC)=C4))))'
p15232
sS'CPD-16676'
p15233
S'C=CC3(C(C)C2(C(C1(CC(O)C(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p15234
sS'CPD-16671'
p15235
S'C=CC1(C(C)C3(C(C(C=1)=O)C2(C)(C(C(C(C(C)(C)C2CC3)O)O)O)))'
p15236
sS'CPD-16670'
p15237
S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1C(O)C=C2C3)C))C'
p15238
sS'CPD-16673'
p15239
S'C=CC1(C(C)C3(C(C(C=1)=O)C2(CC(C(C(C)(C)C2CC3)O)=O)(C)))'
p15240
sS'CPD-16672'
p15241
S'C=CC1(C(C)C3(C(C(C=1)=O)C2(C)(C(CC(C(C)(C)C2CC3)O)O)))'
p15242
sS'CPD0-1563'
p15243
S'C(C(C([O-])=O)[N+])SCCC([N+])C(=O)[O-]'
p15244
sS'CPD-9312'
p15245
S'CC'
p15246
sS'CPD-9311'
p15247
S'CCSO'
p15248
sS'CPD-9642'
p15249
S'C(C3(OC(OC2(C1(C(=CC=CC=1)NC(=O)2))CC(=O)[O-])C(O)C(O)C(O)3))O'
p15250
sS'CPD-9317'
p15251
S'CC=CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p15252
sS'CPD0-1566'
p15253
S'C1(=CC=C(C=C1)SCC(C([O-])=O)[N+])'
p15254
sS'CPD0-1565'
p15255
S'C1(=CC=C(C=C1)CSCC(C([O-])=O)[N+])'
p15256
sS'CPD-9646'
p15257
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])[O-])C)C)C'
p15258
sS'CPD-9649'
p15259
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(OP(=O)([O-])[O-])([O-])=O'
p15260
sS'CPD-12704'
p15261
S'CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)[O-])[N+])O'
p15262
sS'CPD-9319'
p15263
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))C)C'
p15264
sS'CPD0-1568'
p15265
S'CCCSCC(C([O-])=O)[N+]'
p15266
sS'CPD-11826'
p15267
S'CCC(C(C)C)C(O)C(OS(=O)(=O)[O-])C(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2COC(=O)[CH]4(C(C)3CC(O)C(O)C4))))'
p15268
sS'CPD-12700'
p15269
S'CCC(C)(O)C#N'
p15270
sS'CPD-12703'
p15271
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=C(O)C=CC(O)=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p15272
sS'CPD-12702'
p15273
S'C(C(C1(C=CC=CC=1))O)#N'
p15274
sS'ADP-MANNOSE'
p15275
S'C(C4(C(C(C(C(OP([O-])(=O)OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)O))O4)O)O)O))O'
p15276
sS'CPD-15605'
p15277
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(CO)12))[CH](CC(O)C(=O)3)4))'
p15278
sS'12-OXO-CIS-9-DODECENOATE'
p15279
S'[CH](=O)CC=CCCCCCCCC(=O)[O-]'
p15280
sS'COPROPORPHYRIN_III'
p15281
S'CC1(=C2(C=C5(C(C)=C(CCC([O-])=O)C(C=C4(C(CCC([O-])=O)=C(C)C(=CC3(C(CCC(=O)[O-])=C(C)C(=CC(=C(CCC([O-])=O)1)N2)N=3))N4))=N5)))'
p15282
sS'CPD-6142'
p15283
S'C[N+](CCC([O-])=O)C'
p15284
sS'ADENOSYL-HOMO-CYS'
p15285
S'C(SCC3(C(O)C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))CC(C([O-])=O)[N+]'
p15286
sS'CPD-16491'
p15287
S'CN([CH]=O)C1(C(O)=NC(N)=NC(N)=1)'
p15288
sS'CPD-16493'
p15289
S'CCCCCCCN(C(O)=NC1(=C(F)C=C(F)C=C1))CCCCCSC2(NC(=C(N=2)C3(C=CC=CC=3))C4(C=CC=CC=4))'
p15290
sS'CPD-16492'
p15291
S'CCCCCCCCCCC(C(O)=NC1(C(OC)=CC(OC)=CC(OC)=1))(C)C'
p15292
sS'CPD-16495'
p15293
S'CC1(C5(NC(C=1CCC([O-])=O)=CC2(=NC(C(=C2CCC([O-])=O)C)=CC3(=NC(C(=C3C(SCC([N+])C([O-])=NC)C)C)=CC4(NC(=C(C=4C(SCC([N+])C(=O)NC)C)C)C=5)))))'
p15294
sS'CPD-16497'
p15295
S'CCCCCCCCCCCCCC(=O)CC(=O)[O-]'
p15296
sS'CPD-174'
p15297
S'CC(COC1(OCC(O)C(O)C(O)1))=CCNC3(=NC=NC2(=C(N=CN2)3))'
p15298
sS'CPDQT-300'
p15299
S'CSCCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p15300
sS'CPD-15607'
p15301
S'CC(C(O)CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p15302
sS'CPD0-1953'
p15303
S'C(Cl)C(CO)O'
p15304
sS'UDP-SULFOQUINOVOSE'
p15305
S'C(OP(=O)([O-])OP(=O)(OC1(OC(CS(=O)(=O)[O-])C(O)C(O)C(O)1))[O-])C2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3))'
p15306
sS'CPD-8293'
p15307
S'CCCCCCCCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p15308
sS'CPD-18652'
p15309
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(OC(CCCCCCCCCCCCCCCCC4(=CC=C(OC3(OC(C)C(O)C(OC2(OC(C)C(O)C(OC1(OC(C)C(OC)C(OC)C(OC)1))C(O)2))C(OC)3))C=C4))CC(OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCC)CCCCC(C)C(O)CC)=O'
p15310
sS'CPD-15061'
p15311
S'CC(O)C(=O)C1(=CC=CC=C1)'
p15312
sS'S-STYLOPINE'
p15313
S'C1(N6([CH](C3(=C(C1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6)))'
p15314
sS'CPD-15060'
p15315
S'CC(CC(O)C(=O)C(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p15316
sS'ETHYLENE-CMPD'
p15317
S'C=C'
p15318
sS'Ergothioneine'
p15319
S'C[N+](C)(C)C(CC1(=CNC(S)=N1))C(=O)[O-]'
p15320
sS'CPD0-1163'
p15321
S'CCCCCCCCC=CCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p15322
sS'PYRIDOXAL'
p15323
S'CC1(N=CC(=C(C=1O)C=O)CO)'
p15324
sS'CPD-47'
p15325
S'CC1(C(C(=O)[O-])=C(O)C=C(O)C=1)'
p15326
sS'4-NITROQUINOLINE-N-OXIDE'
p15327
S'C2(=N(=O)C1(C=CC=CC=1C(=C2)[N+]([O-])=O))'
p15328
sS'CPD-15066'
p15329
S'C[CH](OC2(OC(COC1(OCC(O)(CO)C(O)1))C(O)C(O)C(O)2))C'
p15330
sS'EDDHA'
p15331
S'C(C(NCC[N+]C(C1(=CC=CC=C(O)1))C(=O)[O-])C2(=C(O)C=CC=C2))(=O)[O-]'
p15332
sS'DE-O-GLUCONATE'
p15333
S'C(O)C(O)C(O)C(O)CC(=O)[O-]'
p15334
sS'HSCN'
p15335
S'C(#N)[S-]'
p15336
sS'4-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE'
p15337
S'COC1(=CC=CC2(=C1C(=CN2)CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3)))'
p15338
sS'17-O-DEACETYLVINDOLINE'
p15339
S'CCC15(C4(C2(C(C(C(OC)=O)(C1O)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p15340
sS'CPD-10632'
p15341
S'C([O-])(=O)C=C(Cl)C=C(Cl)C([O-])=O'
p15342
sS'CPD-10631'
p15343
S'C([O-])(=O)C=CC(=C(Cl)C([O-])=O)Cl'
p15344
sS'CPD-10637'
p15345
S'C(=O)([O-])C(Cl)=CC(=O)C(Cl)C(=O)[O-]'
p15346
sS'CPD-10636'
p15347
S'C1(=C(Cl)C(=O)OC(=C(Cl)C(=O)[O-])1)'
p15348
sS'CPD-10635'
p15349
S'C([O-])(=O)C(Cl)=CC(=C(Cl)C([O-])=O)Cl'
p15350
sS'CPD-10634'
p15351
S'C(=O)([O-])C=CC(=O)C(Cl)C(=O)[O-]'
p15352
sS'INDOLE-3-ACETYL-ASP'
p15353
S'C1(NC2(=CC=CC=C(C=1CC(NC(C(=O)[O-])CC([O-])=O)=O)2))'
p15354
sS'CPD-11613'
p15355
S'C(O)C1(C(C(C(C(O1)O)O)O)O)'
p15356
sS'CPD-10639'
p15357
S'C([O-])(=O)CC1(OC(=O)C(Cl)=C1)'
p15358
sS'CPD-10638'
p15359
S'C([O-])(=O)C(Cl)C1(OC(=O)C=C1)'
p15360
sS'CPD-14135'
p15361
S'C1(=CC(N)=C(O)C=C(O)1)'
p15362
sS'CPD-11940'
p15363
S'C1(C=C(C=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p15364
sS'CPD-14137'
p15365
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p15366
sS'CPD-11946'
p15367
S'C(O)C1(C(O)C(O)C(O)C(S[Au])O1)'
p15368
sS'CPD-14131'
p15369
S'[CH](=O)C(C(=O)[O-])=CC=C(C([O-])=O)N'
p15370
sS'CPD-14132'
p15371
S'CC1(OC2(C)(C(O)CC1CC2))(C)'
p15372
sS'CPD-11945'
p15373
S'C3(=C(C2(=[O+]C1(=CC(=CC(=C1C=C2)O)O)))C=C(O)C(=C3)O)'
p15374
sS'CPD-14138'
p15375
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C(O)C(O)3))[N+]))'
p15376
sS'CPD-14139'
p15377
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C(O)C(O)3))[N+]))'
p15378
sS'CPD-17722'
p15379
S'CC1(C[N+]C(C(=O)[O-])C1)'
p15380
sS'CPD-17723'
p15381
S'CC(CC([N+])C([O-])=O)CO'
p15382
sS'CPD-17724'
p15383
S'CC(CC([N+])C([O-])=O)C(O)O'
p15384
sS'CPD-17725'
p15385
S'CC1(C=NC(C(=O)[O-])C1)'
p15386
sS'CPD-17726'
p15387
S'C([O-])(=O)CC(C([O-])=O)(CC1(=CC=C(C=C1)O))O'
p15388
sS'CPD-17727'
p15389
S'C([O-])(=O)C(C(O)C([O-])=O)CC1(=CC=C(C=C1)O)'
p15390
sS'CPD-17728'
p15391
S'C([O-])(=O)C(=O)CCC1(=CC=C(C=C1)O)'
p15392
sS'CPD-17729'
p15393
S'C([O-])(=O)C([N+])CCC1(=CC=C(C=C1)O)'
p15394
sS'HCN'
p15395
S'C#N'
p15396
sS'HCL'
p15397
S'[ClH]'
p15398
sS'CPD-7110'
p15399
S'CC(=CCC1(C(=C(C(C(C=1O)(CC=C(C)C)CC=C(C)C)=O)C(CC(C)C)=O)[O-]))C'
p15400
sS'SINAPATE'
p15401
S'COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)'
p15402
sS'FRUCTOSE-16-DIPHOSPHATE'
p15403
S'C(C1(C(C(C(O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]'
p15404
sS'36-LACTONE-OF-3-HYDROXYADINYL-COA'
p15405
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(CCC(=O)O1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p15406
sS'CPD-15252'
p15407
S'CC(C)CCCC(C)CCCC(C)CCCC(C)C'
p15408
sS'--6-HYDROXY-3-OXO-ALPHA-IONONE'
p15409
S'CC1(=CC(=O)CC(C)(C)C(O)(C=CC(C)=O)1)'
p15410
sS'CPD-6991'
p15411
S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p15412
sS'CPD-6992'
p15413
S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2O)=O)O)[O-])))=CC=3)'
p15414
sS'CPD-6993'
p15415
S'C2(C=CC(C=CC(C1(=C(C=C(C=C(O)1)O)O))=O)=CC=2)'
p15416
sS'CPD-6994'
p15417
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p15418
sS'CPD-6995'
p15419
S'C(C(C(CO)O)O)O'
p15420
sS'CPD-6996'
p15421
S'C3(C(C2(OC1(=CC(=C(C=C1C(C2)=O)O)O)))=CC=C(C=3)O)'
p15422
sS'CPD-6997'
p15423
S'C3(C(C1(C(C2(=CC(=C(C=C(OC1O)2)O)O))=O))=CC=C(C=3)O)'
p15424
sS'CPD-6998'
p15425
S'C3(C(C1(=COC2(=CC(O)=C(O)C=C(C(=O)1)2)))=CC=C(O)C=3)'
p15426
sS'3-ENOLPYRUVYL-SHIKIMATE-5P'
p15427
S'C=C(C(=O)[O-])OC1(CC(C(=O)[O-])=CC(OP(=O)([O-])[O-])C(O)1)'
p15428
sS'4-METHYLPENTANAL'
p15429
S'CC(C)CCC=O'
p15430
sS'CPD-17518'
p15431
S'CC4(=C(N)C(=O)C3(=C(N2(C[CH]1(N[CH]1C(OC)2C(COC(=O)N)3)))C(=O)4))'
p15432
sS'CPD-14'
p15433
S'O=S(=O)([O-])SSS(=O)(=O)[O-]'
p15434
sS'DIHYDROPTERIN-CH2OH-PP'
p15435
S'C2(C(COP(=O)([O-])OP(=O)([O-])[O-])=NC1(C(=O)NC(N)=NC=1N2))'
p15436
sS'AZIRIDINE'
p15437
S'C1(C[N+]1)'
p15438
sS'GUANIDOACETIC_ACID'
p15439
S'C(NC(N)=[N+])C([O-])=O'
p15440
sS'CPD-10099'
p15441
S'CCCCCC(=O)N'
p15442
sS'CPD-10098'
p15443
S'CCCCCC[N+]'
p15444
sS'CPD-10097'
p15445
S'CCCC(CCC)C(=O)N'
p15446
sS'CPD-10096'
p15447
S'C3(C=C2(C(C1(OC1C2))=CC=3))'
p15448
sS'CPD-10095'
p15449
S'C1(CC[CH]2(O[CH](C1)2))'
p15450
sS'CPD-10094'
p15451
S'CC12(OC1CCCC2)'
p15452
sS'CPD-10093'
p15453
S'CCCCCC(=O)OCC'
p15454
sS'CPD-10092'
p15455
S'C1(C=C(C=CC(C(CBr)=O)=1)[N+](=O)[O-])'
p15456
sS'CPD-10091'
p15457
S'CC(=O)NC(CC1(C=CC(OC)=CC=1))C(=O)NC2(C(O)C(OC(CO)2)N3(C4(=C(N=C3)C(N(C)C)=NC=N4)))'
p15458
sS'CETRAXATE-BENZYL-ESTER'
p15459
S'C(OC(=O)CCC1(=CC=C(C=C1)OC(=O)C2(CCC(C[N+])CC2)))C3(C=CC=CC=3)'
p15460
sS'CPD-12182'
p15461
S'C1(C=CC(=CC=1)N2(C(CCC2=O)=O))'
p15462
sS'CPD0-1364'
p15463
S'C1(=C(CC=CN1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))[CH]=O)'
p15464
sS'CPD0-1367'
p15465
S'CC(C)=CCC1(C(=O)C2(C(C(=O)C(C)=1)=CC=CC=2))'
p15466
sS'CPD0-1366'
p15467
S'CC2(OCCSC(C(NC1(C=CC=CC=1))=O)=2)'
p15468
sS'CPD0-1360'
p15469
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC=C(O)C=C2))'
p15470
sS'CPD0-1363'
p15471
S'C(NC(CI)=O)CNC1(C2(=C(C=CC=1)C(S([O-])(=O)=O)=CC=C2))'
p15472
sS'FMN'
p15473
S'CC2(=CC1(N=C3(C(=O)[N-]C(=O)N=C(N(CC(O)C(O)C(O)COP([O-])(=O)[O-])C=1C=C(C)2)3)))'
p15474
sS'CPD-12946'
p15475
S'CC1(=CC2(=C(C(O)=C1)C3(=C(C(O)C2)C(=O)C4(=C(C(=O)3)C=CC=C(O[R])4))))'
p15476
sS'CPD-15665'
p15477
S'CC(NC1(C(O)OC(C(C1O)O)C([O-])=O))=O'
p15478
sS'CPD-12944'
p15479
S'CC1(CC3(O)(C(O)(C(=O)C=1)C24(OC2(C(O)C3)C(O)C5(=C(C(=O)4)C=CC([R])=C(O)5))))'
p15480
sS'CPD-15663'
p15481
S'CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15482
sS'CPD-12942'
p15483
S'CC1(C(=O)C2(C(C(=O)C([O-])=1)=C3(C(=C(O)C=2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p15484
sS'CPD-12941'
p15485
S'CC1(CC2(O)(C(O)(C(=O)C=1)C3(=C(C(O)C2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p15486
sS'CPD-12940'
p15487
S'CC1(CC2(O)(C(O)(C(=O)C=1)C3(=C(CC2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p15488
sS'CPD-12949'
p15489
S'CC1(O)(CC2(O)([CH](C(=O)C1)C3(C(C(=O)C2)=C(O)C4(=C(C=3)C=CC=C(O)4))))'
p15490
sS'CPD-12948'
p15491
S'COC4(C3(=C(C(=O)C2(C1(=C(O)C=C(CO)C=C1C(O)C(O)C=2C(=O)3)))C=CC=4))'
p15492
sS'N-METHYL-HISTAMINE'
p15493
S'CN1(C=C(N=C1)CC[N+])'
p15494
sS'DIHYDROXY-ACETONE-PHOSPHATE'
p15495
S'C(C(=O)CO)OP([O-])([O-])=O'
p15496
sS'CPD-4841'
p15497
S'C1(C=C(N=C(C=1)C(=O)[O-])C(=O)[O-])'
p15498
sS'CPD-18639'
p15499
S'CC9(CCC1(O[CH]8([CH](C(C)1)C7(C)([CH]([CH]6([CH](C5(C)([CH](CC(OC4(OC(CO)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))3))C(O)C(O)4))CC5)CC6))CC7))C8)))(NC9))'
p15500
sS'CPD-18633'
p15501
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(OC)CC'
p15502
sS'CPD-14392'
p15503
S'CCC=CCC=CCC=CCC=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15504
sS'CPD-14393'
p15505
S'CCCCCCCCCC=CCCCCC([O-])=O'
p15506
sS'CPD-4592'
p15507
S'COC1(C4(=C(C2([CH]3(C=CO[CH](OC(C=1)=2)3)))OC(=O)C5(C(CCC4=5)=O)))'
p15508
sS'8-AMINO-7-OXONONANOATE'
p15509
S'CC(C(CCCCCC([O-])=O)=O)[N+]'
p15510
sS'CPD-18635'
p15511
S'C(=CC(=O)[O-])C(O)=C[CH]=O'
p15512
sS'CPD-4591'
p15513
S'COC1(C4(=C(C2(C3(C=COC(OC(C=1)=2)3)))OC5(C(=C(C=C(C(C4=O)=5)O)OC)OC)))'
p15514
sS'CPD-15919'
p15515
S'C=CC(=C)CC(=O)C=C(C)C'
p15516
sS'PANTOTHENOL'
p15517
S'CC(C(O)C(=O)NCCCO)(CO)C'
p15518
sS'CPD-15449'
p15519
S'CC(=CCCC([CH]1([CH]2(C(C)(CC1)C3(C)(CC[CH]4(C(C(O)CCC(C)([CH](CC(O)2)3)4)(C)C)))))(C)O)C'
p15520
sS'CPD-15448'
p15521
S'CC(=CCCC([CH]1([CH]2(C(C)(CC1)C3(C)(CC(O)[CH]4(C(C(O)CCC(C)([CH](CC(O)2)3)4)(C)C)))))(C)OC5(OC(CO)C(O)C(O)C(O)5))C'
p15522
sS'CPD-12498'
p15523
S'CC(C(C(C(C(C)C1(C2(CCC3(C4(C)(CCC(O)C[CH](C(=O)OCC(C(CC1)2)3)4)))(C)))O)O)C)C'
p15524
sS'5-BETA-SCYMNOL'
p15525
S'CC(CCC(O)C(CO)CO)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p15526
sS'CPD-15443'
p15527
S'CC(=CCCC([CH]1([CH]4(C(C)(CC1)C5(C)(CC(OC3(C(OC2(C(O)C(O)C(O)CO2))C(O)C(O)C(CO)O3))[CH]6(C(C(O)CCC(C)([CH](CC(O)4)5)6)(C)C)))))(C)OC7(OC(CO)C(O)C(O)C(O)7))C'
p15528
sS'35-DICHLOROCATECHOL'
p15529
S'C1(C(Cl)=CC(=C(C(Cl)=1)O)O)'
p15530
sS'CPD-15441'
p15531
S'CC(=CCCC([CH]1([CH]4(C(C)(CC1)C5(C)(CC(OC3(C(OC2(C(O)C(O)C(O)C(CO)O2))C(O)C(O)C(CO)O3))[CH]6(C(C(O)CCC(C)([CH](CC(O)4)5)6)(C)C)))))(O)C)C'
p15532
sS'CPD-12496'
p15533
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p15534
sS'CPD-15915'
p15535
S'CCC(=O)C(C)C(=O)OCC'
p15536
sS'CPD-15446'
p15537
S'CC(=CCCC([CH]1([CH]3(C(C)(CC1)C4(C)(CC(OC2(C(O)C(O)C(O)C(CO)O2))[CH]5(C(C(O)CCC(C)([CH](CC(O)3)4)5)(C)C)))))(C)O)C'
p15538
sS'CPD-15917'
p15539
S'C1(NC=C(Cl)C=1C2(C(NO)=C(Cl)C=CC=2))'
p15540
sS'CPD-12492'
p15541
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p15542
sS'2-KETO-6-ACETAMIDOCAPROATE'
p15543
S'CC(NCCCCC(=O)C([O-])=O)=O'
p15544
sS'3-OXOPALMITOYL-COA'
p15545
S'CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15546
sS'CPD-7166'
p15547
S'CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)'
p15548
sS'CPD-7167'
p15549
S'C1(NC(=[N+])N)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p15550
sS'CPD-7164'
p15551
S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p15552
sS'CPD-8187'
p15553
S'C(O)C1(C(O)C(O)C(O)C(O1)OC(COP([O-])(=O)OC(O)C(O)C(O)C(COP([O-])(=O)O[R1])O)C(O)C(O)C(O)OP([O-])(=O)OCC(O)C(O)C(O)CO)'
p15554
sS'CPD-7162'
p15555
S'CC2(OP(O)(OC1(C(O)C(OC(CO)1)N%11(C=[N+]([Co----]57%10([N+]4(=C3(C(C)=C9(C(CCC(NC2)=O)(C(CC(N)=O)[CH](C8(C)(C(C)(CC(N)=O)C(CCC(=O)N)C(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C(C=C(C(C)(C)C(CCC(N)=O)3)4)=[N+]56)C))=[N+]78))N9%10)C)))))C%12(=C%11C=CC(O)=C%12))))=O)'
p15556
sS'CPD-7163'
p15557
S'CC2(OP([O-])(OC1(C(O)C(OC(CO)1)N%11(C=[N+]([Co---]57%10(C)([N+]4(=C3(C(C)=C9(C(CCC(NC2)=O)(C(CC(N)=O)[CH](C8(C)(C(C)(CC(N)=O)C(CCC(=O)N)C(C(C)=C6(C(CC(=O)N)(C(CCC(N)=O)C(C=C(C(C)(C)C(CCC(N)=O)3)4)=[N+]56)C))=[N+]78))N9%10)C)))))C%12(=C%11C=CC(O)=C%12))))=O)'
p15558
sS'CPD-7168'
p15559
S'C1(NC(=[N+])N)(C(O)C(O)C(O)C(O)C(O)1)'
p15560
sS'CPD-7169'
p15561
S'CCCCCC2(=CC3(OC(C1(CCC(=CC1C(C(=C2C([O-])=O)O)=3)C))(C)C))'
p15562
sS'CPD-9990'
p15563
S'C(N(CCC1(NC=NC=1))O)(=O)C3(CSC(C2(C(O)=C(O)C=CC=2))=N3)'
p15564
sS'CPD-12452'
p15565
S'CC(CCC(=O)[O-])[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(=O)CCC(C)1[CH](CC(O)C(C)23)4))))'
p15566
sS'CPD-3861'
p15567
S'CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC4(C(OC(COC3(OC(COC2(CC(O)C(OC1(CC(O)C(O)C(O1)C(O)CO)C(=O)[O-])C(O2)C(O)CO)C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)3))C(O)C(OC(=O)CC(O)CCCCCCCCCCC)4)OP(=O)([O-])[O-])'
p15568
sS'CPD-13704'
p15569
S'CC34(C=CC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p15570
sS'CPD-12185'
p15571
S'C([N+])CCC(=O)NC(CC1(=CNC=N1))C(=O)[O-]'
p15572
sS'BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA'
p15573
S'CC(C(=O)OCC1(C=CC=CC=1))C(C)O'
p15574
sS'QUINOLIN-4-OL'
p15575
S'C2(=NC1(C=CC=CC=1C(=C2)O))'
p15576
sS'CPD-2190'
p15577
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p15578
sS'CPD-18859'
p15579
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=C(C)C8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p15580
sS'SARCOSINE'
p15581
S'C[N+]CC(=O)[O-]'
p15582
sS'CPDQT-299'
p15583
S'CS(=O)CCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p15584
sS'CPD-18379'
p15585
S'CCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])[O-]'
p15586
sS'CPD0-2479'
p15587
S'CP([O-])(=O)OC1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])[O-])([O-])=O)O)O)'
p15588
sS'BENZOYLCOA'
p15589
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p15590
sS'CPD0-2474'
p15591
S'C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C(O)CCC(C(=O)N)=5)'
p15592
sS'CPD0-2475'
p15593
S'COC(=O)CCC1(C(O)=C(O)C=CC=1)'
p15594
sS'CPD0-2476'
p15595
S'C1(=CC=C(C=C1)CCC2(C(O)=C(O)C=CC=2))'
p15596
sS'CPD0-2477'
p15597
S'CCCC1(C=CC=C(O)C(O)=1)'
p15598
sS'CPD0-2472'
p15599
S'C1(=C(CCC(O)N1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)'
p15600
sS'CPD-449'
p15601
S'C(C1(OC(C(C(C1O)O)O)OCC(O)COP([O-])([O-])=O))O'
p15602
sS'CPD-448'
p15603
S'C(O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p15604
sS'CPD-446'
p15605
S'C([O-])(=O)C1(=C[N+](=CC=C1)C2(OC(C(C(C2O)O)O)CO))'
p15606
sS'CPD-444'
p15607
S'CSCC1(OC(OP([O-])(=O)[O-])C(C1O)O)'
p15608
sS'CPD-443'
p15609
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C(=O)NC2(C(=O)NC(=O)NC=23)))'
p15610
sS'CPD-440'
p15611
S'COC1(=C(C=CC(=C1)C=CC(NCCC2(C=CC(=CC=2)O))=O)O)'
p15612
sS'NITRATE'
p15613
S'N(=O)(=O)[O-]'
p15614
sS'CD+2'
p15615
S'[Cd++]'
p15616
sS'CPD-11395'
p15617
S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC=C(C(I)=C2)O)))[N+])([O-])=O'
p15618
sS'CPD-14452'
p15619
S'COC1(C=C2(OC(=O)C=CC(=CC=1OC)2))'
p15620
sS'CPD-13724'
p15621
S'[O-]S(=O)(=O)OOS(=O)(=O)[O-]'
p15622
sS'CPD-13725'
p15623
S'CC(C([O-])=O)OC2(C(NC(=O)C)C(OC1(C(CO)OC(O)C(NC(=O)C)C(O)1))OC(CO)C(O)2)'
p15624
sS'3-OXOPRISTANOYL-COA'
p15625
S'CC(C)CCCC(C)CCCC(C)CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p15626
sS'CPD-13709'
p15627
S'CC1(=CC=C(O)C(O)=C1CC[CH]3([CH]2(C(C)(C(=O)CC2)CCC(=O)3)))'
p15628
sS'CPD-13720'
p15629
S'C[Se+](C)CCC=O'
p15630
sS'CPD-14323'
p15631
S'C2(O)(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p15632
sS'CPD-13722'
p15633
S'CCC(O)CC(=O)C(=O)[O-]'
p15634
sS'1112-TETRACHLOROETHANE'
p15635
S'C(C(Cl)(Cl)Cl)Cl'
p15636
sS'CPD-14322'
p15637
S'C2(NC1(C(=CC=CC=1)C=2C3(=CC(=NC(=O)3)C4(C5(=C(NC=4)C=CC=C5)))))'
p15638
sS'INOSITOL-1456-TETRAKISPHOSPHATE'
p15639
S'C1(O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(O)1)'
p15640
sS'CPD-11377'
p15641
S'CC(C)=CCCC1(C)(C2(C[CH]3(C(C)1[CH](C2)3)))'
p15642
sS'CPD-18376'
p15643
S'C3(C=C2(C(C1(C=C(O)C=CC=1))=C([O-])C(=O)NC2=CC=3))'
p15644
sS'CPD-15551'
p15645
S'C[SH](=O)=O'
p15646
sS'CPD-14456'
p15647
S'C=CC=CCC2(=C(C)C(OC(=O)C1(C(C1(C)C)C=C(C(OC)=O)C))CC(=O)2)'
p15648
sS'CINNAMYL-ALC'
p15649
S'C1(C=CC(=CC=1)C=CCO)'
p15650
sS'COBALT-FACTOR-III'
p15651
S'CC1(=C8([N+]4(=C(C=C7(N3(C(=CC5(C(CC(=O)[O-])=C(CCC(=O)[O-])C6(=CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C1N2[Co--]34[N+]=56))))C(CCC(=O)[O-])C(C)(CC(=O)[O-])7)))C(CCC(=O)[O-])C(C)(CC(=O)[O-])8)))'
p15652
sS'CPD-9418'
p15653
S'C3(N(C(C1(=CC=C(C=C1)O))C([O-])=O)C(C(NC(C(C2(=CC=C(C=C2)O))[N+])=O)3)=O)'
p15654
sS'CPD-19147'
p15655
S'CCCCCCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15656
sS'CPD-19144'
p15657
S'CCCCCCCCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15658
sS'CPD-9414'
p15659
S'CC(C(O)C(=O)NCCC(NCCSC(=O)CC(C)(O)C([O-])=O)=O)(C)COP(OP(OCC3(OC(N1(C2(=C(N=C1)C(N)=NC=N2)))C(C(OP(=O)([O-])[O-])3)O))([O-])=O)([O-])=O'
p15660
sS'CPD-9415'
p15661
S'C2(C(NC(=O)C([N+])C1(=CC=C(OCCC([N+])C(=O)[O-])C=C1))C(=O)N2C(C(=O)[O-])C3(=CC=C(O)C=C3))'
p15662
sS'CPD-1125'
p15663
S'C3(C=CC(C(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C#N)=CC=3)'
p15664
sS'CPD-18375'
p15665
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC2(C(C2)CCCCCC))=O'
p15666
sS'CPD-9410'
p15667
S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p15668
sS'CPD-9411'
p15669
S'CC1(=CCCC(C)=CCC(C(CO)=C)CC1)'
p15670
sS'CPD-9412'
p15671
S'CC1(=CCCC(C)=CCC(C(C=O)=C)CC1)'
p15672
sS'CPD-9413'
p15673
S'CC1(=CCCC(C)=CCC(C(C(=O)[O-])=C)CC1)'
p15674
sS'CPD-199'
p15675
S'CC(C)CC(C(=O)[O-])NC(=O)OCC1(=CC=CC=C1)'
p15676
sS'3-HYDROXY-N-METHYL-S-COCLAURINE'
p15677
S'C1(CC3(C=C(OC)C(O)=CC(C([N+](C)1)CC2(C=C(O)C(O)=CC=2))=3))'
p15678
sS'CPD-669'
p15679
S'CC(=CCNC2(=NC=NC1(=C(N=CN(CC([N+])C(=O)[O-])1)2)))CO'
p15680
sS'CPD-668'
p15681
S'C(COC(CC(=O)[O-])C(=O)[O-])([O-])=O'
p15682
sS'CPD-8239'
p15683
S'C=CC(CCC=C(CCC=C(C)C)C)=C'
p15684
sS'CPD-8238'
p15685
S'C=C1(CCC3(C)(CC1C2(C)(C(C)(CCC2)3)))'
p15686
sS'CPD-191'
p15687
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1))C)C)C)C)C)C)C'
p15688
sS'CPD-662'
p15689
S'CC(C35(NC(=CC1(C(C(CCC(=O)[O-])=C(N=1)CC2(C(=C(CCC(=O)[O-])C(=N2)CC4(C(C(=C3N=4)CC(=O)[O-])(C)CCC(=O)[O-]))CC([O-])=O)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)5))=O'
p15690
sS'CPD-8235'
p15691
S'CC2(C1(C3(CCCC(C(C1)(C)CC=2)3C)C))'
p15692
sS'CPD-8234'
p15693
S'CC(C)C1(CCC2(C3(C1C2CC=C(C)3))(C))'
p15694
sS'CPD-8233'
p15695
S'CC1(=CCCC(=CCC(C=CC1)(C)C)C)'
p15696
sS'CPD-194'
p15697
S'C1(=CC(OP([O-])(=O)[O-])=CC=C([N+]([O-])=O)1)'
p15698
sS'CPD-665'
p15699
S'CC[CH]=O'
p15700
sS'CPD-196'
p15701
S'CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15702
sS'CPD-7760'
p15703
S'CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p15704
sS'Elemental-Sulfur'
p15705
S'S'
p15706
sS'O-ACETYLCARNITINE'
p15707
S'CC(=O)OC(C[N+](C)(C)C)CC(=O)[O-]'
p15708
sS'CPD-822'
p15709
S'C(CCC(NC(CCC(=O)[O-])=O)C(=O)[O-])=O'
p15710
sS'2-DEOXY-D-GLUCOSE'
p15711
S'C1(C(O)OC(CO)C(O)C(O)1)'
p15712
sS'CPD-7764'
p15713
S'CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC'
p15714
sS'CPD-1421'
p15715
S'CC1(C=CC=CC(C)=1)'
p15716
sS'S-ADENOSYLMETHIONINE'
p15717
S'C[S+](CC3(C(O)C(O)C(N2(C1(N=CN=C(N)C=1N=C2)))O3))CCC(C([O-])=O)[N+]'
p15718
sS'CPD-1422'
p15719
S'CC1(C=CC(C)=CC=1)'
p15720
sS'CPD-10014'
p15721
S'C=CCC3(C(=O)CC(O)C(C(C(C)=CC1(CCC(O)C(O)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(C)=C3)C(OC)CC(C)4)))C)'
p15722
sS'CPD-827'
p15723
S'C(=O)([O-])CC(O)C(O)C(=O)CO'
p15724
sS'N-CARBAMOYLCADAVERINE'
p15725
S'C(NC(=O)N)CCCC[N+]'
p15726
sS'CPD-3484'
p15727
S'CC([N+]C(C)(C)C)C(O)C1(C=C(Cl)C=CC=1)'
p15728
sS'CPD-3487'
p15729
S'C(NC(=O)C1(C=CC=C(Cl)C=1))C(=O)[O-]'
p15730
sS'CPD-3486'
p15731
S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p15732
sS'CPD-3481'
p15733
S'CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)'
p15734
sS'CPD-3483'
p15735
S'CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1)'
p15736
sS'CPD-8258'
p15737
S'C(C4(C(O)C(O)C(O)C(OCC3(C(O)C(O)C(O)C(OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C1O))O2))O3))O4))O'
p15738
sS'N1-ACETYLSPERMINE'
p15739
S'CC(=O)NCCC[N+]CCCC[N+]CCC[N+]'
p15740
sS'CPD-603'
p15741
S'C(CC(N)C(=O)[O-])#N'
p15742
sS'DIPYRROMETHANE'
p15743
S'CC1(=NC(C(=C1CC(=O)[O-])CCC(=O)[O-])CC2(=NCC(=C2CC(=O)[O-])CCC(=O)[O-]))'
p15744
sS'CATECHOL'
p15745
S'C1(C=CC(=C(C=1)O)O)'
p15746
sS'CPD-17051'
p15747
S'C(O)C14(SSC2(CC3([CH](N(C(=O)1)2)C(O)C=CC=3))C(=O)N4)'
p15748
sS'CPD-19055'
p15749
S'CCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p15750
sS'S-12-EPOXYPROPANE'
p15751
S'CC1(OC1)'
p15752
sS'OH-MYRISTOYL'
p15753
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))CO)O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p15754
sS'AN-ALPHA-L-FUCOSIDE'
p15755
S'CC1(OC(O[R])C(O)C(O)C(O)1)'
p15756
sS'CPD-1080'
p15757
S'C([O-])(=O)C2(=NC1(=C(C(=CC=C1C(=C2)O)O)O))'
p15758
sS'CPD-16604'
p15759
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=CC(O)=C(O)C=2))=[O+]C8(C(C=3)=C([O-])C=C(OC7(OC(COC(=O)C6(C=CC(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))=CC=6))C(O)C(O)C(O)7))C=8)))'
p15760
sS'CPD-16605'
p15761
S'C(O)C1(C(O)C(O)C(O)C(O1)OC9(C=CC(C=CC(OCC8(C(O)C(O)C(O)C(OC7(C=CC(C=CC(OCC6(C(O)C(O)C(O)C(OC5(=CC([O-])=C4(C=C(OC2(C(O)C(O)C(O)C(COC(=O)CC(=O)[O-])O2))C(C3(C=C(O)C(O)=C(O)C=3))=[O+]C4=C5)))O6))=O)=CC(O)=7))O8))=O)=CC(O)=9))'
p15762
sS'S-CHEILANTHIFOLINE'
p15763
S'C1(N5([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC4(=C(C3(=C(OCO3)C=C4))C5)))'
p15764
sS'5Z13E-15S-1115-DIHYDROXY-9-OXOPROS'
p15765
S'CCCCCC(O)C=CC1(C(CC=CCCCC(=O)[O-])C(=O)CC(O)1)'
p15766
sS'GUANIDINOETHYL-METHYL-PHOSPHATE'
p15767
S'C(COP(=O)([O-])OC)NC(=[N+])N'
p15768
sS'6-CARBOXYHEX-2-ENOYL-COA'
p15769
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p15770
sS'CPD-16806'
p15771
S'CC1(OC(C(O)C(O)1)N3(C=NC2(=C(O)N=CN=C23)))'
p15772
sS'CPD-16807'
p15773
S'C1(O)(=NC(=O)C(Cl)=CC(=O)1)'
p15774
sS'CPD-16804'
p15775
S'C(=O)([O-])C(=O)CC(=O)C(=O)N'
p15776
sS'CPD-16805'
p15777
S'CC([CH]4(C3(C)(C(O)C[CH]2(C1(C)(CCC(O)C[CH]1CC(O)[CH]2[CH]3CC4)))))CCCC(CO)CO'
p15778
sS'CPD-16802'
p15779
S'C1(Cl)(NC(=O)C(Cl)=CC(Cl)=1)'
p15780
sS'CPD-16803'
p15781
S'C1(O)(=NC(=O)C(O)=CC(=O)1)'
p15782
sS'8-HYDROXYQUINOLINE'
p15783
S'C1(=NC2(=C(C=C1)C=CC=C(O)2))'
p15784
sS'CPD-16801'
p15785
S'C1(Cl)(=NC(O)=C(Cl)C=C(Cl)1)'
p15786
sS'CPD-9977'
p15787
S'CC(CCC=C(CO)C)=C[CH]=O'
p15788
sS'UTP'
p15789
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p15790
sS'CPD-16808'
p15791
S'C([O-])(=O)C(N)=CC(O)C(O)CO'
p15792
sS'CPD-16809'
p15793
S'C1(Cl)(=NC(=O)C(Cl)=CC(=O)1)'
p15794
sS'CPD-12136'
p15795
S'C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(=O)C=CC(CC([N+])C([O-])=O)C=1)'
p15796
sS'CPD-12137'
p15797
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(C1=CC(CC([N+])C([O-])=O)=CC=2))'
p15798
sS'CPD-12135'
p15799
S'C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(O)=CC=C(CC([N+])C([O-])=O)C=1)'
p15800
sS'CPD-12132'
p15801
S'C1(SC(C(=O)[O-])=C[CH]([N+])1)'
p15802
sS'CPD-12133'
p15803
S'CC1(=C(C)SC(=N1)[N+]4(=NC(C2(C=CC=CC=2))=NN(C3(C=CC=CC=3))4))'
p15804
sS'CPD-12130'
p15805
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C)=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C)C)C)C'
p15806
sS'3-DE-H-CARNITINE'
p15807
S'C(C(=O)CC(=O)[O-])[N+](C)(C)C'
p15808
sS'CPD-9974'
p15809
S'C([N+])CC(O)C[N+]CCCCC(C([O-])=O)[N+]'
p15810
sS'CPD-12138'
p15811
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(O)C(=O)2))'
p15812
sS'CPD-12139'
p15813
S'C=CCC(S)=NOS(=O)(=O)[O-]'
p15814
sS'CPD-10408'
p15815
S'CCC(C)C2(C(NC(C(N(C)C(C)C(NC(CC1(C=CC=CC=1))C(NCCCCC(C(N2)=O)NC(NC(C(=O)[O-])C(C)CC)=O)=O)=O)=O)CCC3(C=CC=CC=3))=O)'
p15816
sS'CPD-9306'
p15817
S'CC=CSS(C=CC)=O'
p15818
sS'CPD-10158'
p15819
S'CC2(C1(O)(CCCCC(C)1CCC2))'
p15820
sS'CPD-10159'
p15821
S'CC1(CCC(C(O)(C)C)C=CC(C)CCC=1)'
p15822
sS'CPD-10404'
p15823
S'CCCC2(C(C)C(=O)OC(C(NC(C(N(C)C(C(NC(C)C1(=NC(=CS1)C(N2)=O))=O)C(C)C)=O)C(C)C)=O)C(C)CC)'
p15824
sS'CPD-10157'
p15825
S'C(C([N+])CC[N+]C(CC[N+]1(C(C([O-])=O)CC1))C([O-])=O)([O-])=O'
p15826
sS'CPD-10406'
p15827
S'CCC(C)C(C(CC(N3(CCCC(C(C(C(NC(C1(=NC=CS1))CC2(C=CC=CC=2))=O)C)OC)3))=O)OC)[N+](C)C(C(NC(C(C(C)CC)[N+](C)C)=O)=O)C(C)C'
p15828
sS'CPD-10407'
p15829
S'CCCC(NC(C)C(NC(C(C)O)C(NC3(C(C)OC(C(C(C)C)NC(C(CC1(C=CC(=C(C=1)Cl)O))N(C)C([CH](C(C)O)N2(C([CH](CCC2O)NC(C(CC(C)C)NC3=O)=O)=O))=O)=O)=O))=O)=O)=O'
p15830
sS'CPD-10152'
p15831
S'C1(C([N+])C(O)C([N+])C(O)C(O)1)'
p15832
sS'CPD-10401'
p15833
S'CC3(C4(=NC(C(NC(C)C1(=NC(=CS1)C(NC(C)C2(=NC(=CS2)C(N3)=O))=O))=O)=C(C)O4))'
p15834
sS'CPD-10150'
p15835
S'C(=[N+]O)(N)N'
p15836
sS'CPD-10151'
p15837
S'C1(C([N+])C(O)C(O)C(O)C([N+])1)'
p15838
sS'CPD-7904'
p15839
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)=O'
p15840
sS'CPD-7905'
p15841
S'CCCC=CCCCCCCCCCCCCCCCC'
p15842
sS'CPD-7906'
p15843
S'CCCC=CCCCCCCCCCCCCCCCCCCCCCCCCCC'
p15844
sS'CPD-7907'
p15845
S'CC2(CC(=O)N)(C1(=CC5(NC(C=C4(N=C(C=C3(NC(=CC(=N1)C(CCC(=O)[O-])2)C(C)(CC(=O)[O-])C(CCC(=O)[O-])3))C(CC(=O)[O-])=C(CCC(=O)[O-])4))=C(CCC(=O)[O-])C(CC(=O)[O-])=5)))'
p15846
sS'CPD-7901'
p15847
S'CCCCCCCCCCCC(=O)C'
p15848
sS'CPD-7903'
p15849
S'CC2(CC(=O)N)(C(CCC(=O)[O-])C8(N3([Fe--]46([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C23)=CC5(=C(CCC(=O)[O-])C(CC([O-])=O)=C(N45)C=C7(C(CCC(=O)[O-])C(C)(CC(=O)[O-])C(=[N+]67)C=8)))))))'
p15850
sS'CPD-7908'
p15851
S'CCCC=CCCCCCCCCCCCCCCCCCCCCCC'
p15852
sS'CPD-7909'
p15853
S'CCCC=CCCCCCCCCCCCCCCCCCCCCCCCC'
p15854
sS'METHYL-BETA-D-GALACTOSIDE'
p15855
S'COC1(OC(CO)C(O)C(O)C(O)1)'
p15856
sS'CPD-18844'
p15857
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC(C)C)=C(C)C1=CC=2N34)C=C7(C(CC)=C8(C(=O)[C-]C5=C(N67)8)))))9))))'
p15858
sS'CPD-14892'
p15859
S'C=C(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p15860
sS'CPD-14891'
p15861
S'C=C(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p15862
sS'6-METHYL-INDOLE'
p15863
S'CC2(C=CC1(=C(NC=C1)C=2))'
p15864
sS'CPD-18840'
p15865
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p15866
sS'CPD-18841'
p15867
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-]C5=C(N67)8)))))9))))'
p15868
sS'CPD-18842'
p15869
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(CC)=C8(C(=O)[C-]C5=C(N67)8)))))9))))'
p15870
sS'CPD-14894'
p15871
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p15872
sS'CPD-12774'
p15873
S'C1(NC=CC=1C2(C(N)=C(Cl)C=CC=2))'
p15874
sS'CPD-14899'
p15875
S'CCC(C(C)C)C=CC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p15876
sS'CPD-18848'
p15877
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p15878
sS'CPD-18849'
p15879
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p15880
sS'CYCLOEUCALENOL'
p15881
S'CC(C)C(=C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)C(O)CCC2(CC12CCC(C)34)5))))'
p15882
sS'CPD-10490'
p15883
S'CC[N+]CC(=O)[O-]'
p15884
sS'4-CYTIDINE-5-DIPHOSPHO-2-C'
p15885
S'CC(O)(CO)C(O)COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O'
p15886
sS'TAUROLITHOCHOLATE'
p15887
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)NCCS([O-])(=O)=O'
p15888
sS'LINAMARIN'
p15889
S'CC(C)(C#N)OC1(OC(CO)C(O)C(O)C(O)1)'
p15890
sS'RIBOSE-15-BISPHOSPHATE'
p15891
S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p15892
sS'CPD-17239'
p15893
S'CC(=O)NCC1(OC=C(C=1)COC2(=CC=C(CCNC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2))'
p15894
sS'CPD-18645'
p15895
S'CC(C=O)CCC1(O)(C(C)C2([CH](O1)CC3(C(C)2CC[CH]4([CH]3CC=C5(C(C)4CCC(O)C5)))))'
p15896
sS'CPD-14098'
p15897
S'CC(C([N+])C(NCCCCC([N+])C([O-])=O)=O)CC=O'
p15898
sS'CPD-14093'
p15899
S'CC(C([N+])C(NCCCCC([N+])C([O-])=O)=O)CC[N+]'
p15900
sS'CPD-14092'
p15901
S'C[N+]CCCC(=O)C1(C=CC=NC=1)'
p15902
sS'CPD-14091'
p15903
S'C1(CC=C([N+](C)1)C2(C=NC=CC=2))'
p15904
sS'CPD-14090'
p15905
S'C(=O)(NCCCCC([N+])C([O-])=O)C1(N=CC[CH]1)'
p15906
sS'CPD-14097'
p15907
S'C([N+])C[CH]C([N+])C(NCCCCC([N+])C(O)=O)=O'
p15908
sS'CPD-14096'
p15909
S'C1(=C(C(CCC(=O)[O-])=O)C=CC(O)=N1)'
p15910
sS'CPD-14095'
p15911
S'C[N+]C=CCC(=O)C1(C=CC=NC=1)'
p15912
sS'O-DEMETHYLPUROMYCIN'
p15913
S'C1(N=C(C2(N=CN(C(N=1)=2)C4(OC(CO)C(NC(=O)C([N+])CC3(=CC=C(O)C=C3))C(O)4)))N(C)C)'
p15914
sS'CPD0-2113'
p15915
S'CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])[O-]'
p15916
sS'5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP'
p15917
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p15918
sS'CPD0-2117'
p15919
S'CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15920
sS'CPD0-2114'
p15921
S'C3([R3])(=O[Fe]12(O=C([R2])NO1)(O=C([R1])NO2)ON3)'
p15922
sS'ESTRADIOL-ETCETERA-GLUCURONOSIDE'
p15923
S'CC23(CCC1(C4(=CC=C(C=C(CCC1C(CCC(O)2)3)4)OC5(OC(C(=O)[O-])C(O)C(O)C(O)5))))'
p15924
sS'CPD-13269'
p15925
S'C=C(C)[CH]2(CCC(C)C1(CCC(C)=CC1)2)'
p15926
sS'CPD-13261'
p15927
S'CC(C)CC(CC(=O)[O-])NC(=O)CC(C)[N+]'
p15928
sS'CPD-13260'
p15929
S'CC(C)CC(CC(=O)[O-])NC(=O)CC(C)NC(=O)CC(C(C)C)[N+]'
p15930
sS'CPD-13262'
p15931
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC6(OC(CO)C(OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(O)C(OC3(OC(C([O-])=O)C(OC1(OC2(COC(C)(C(=O)[O-])OC(C(O)C(O)1)2)))C(O)C(O)3))4))C(O)5))C(O)C(O)6))C)C)C)C)C)C)C'
p15932
sS'CPD-13266'
p15933
S'CC(NC(C(=O)NC(CCC([O-])=O)C([O-])=O)CC(=O)[O-])=O'
p15934
sS'CPD-14970'
p15935
S'COC4(=CC(O)=C3(C(=O)C(OC1(C(C(C(O)C(O1)CO)O)O))=C(C2(C=C(O)C(O)=CC=2))OC3=C4))'
p15936
sS'L-PANTOATE'
p15937
S'CC(C)(CO)C(C([O-])=O)O'
p15938
sS'CPD-18236'
p15939
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(O[R])[O-])C'
p15940
sS'CPD-14972'
p15941
S'COC1(=CC(=CC=C(O)1)C2(OC4(C(C(=O)C=2O)=C(O)C=C(OC3(C(C(C(O)C(O3)CO)O)O))C=4)))'
p15942
sS'CPD-17949'
p15943
S'CN([CH]=O)C1(C(=O)NC2(=CSSC=12))'
p15944
sS'CPD-14797'
p15945
S'CC1(C23(C(C)(CC1)C(C)=CC(C)(CCC2)3))'
p15946
sS'CPD-14278'
p15947
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15948
sS'CPD-14276'
p15949
S'CCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15950
sS'CPD-14275'
p15951
S'CCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15952
sS'CPD-14274'
p15953
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15954
sS'CPD-14273'
p15955
S'CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15956
sS'1-CARBOXYVINYL-CARBOXYPHOSPHONATE'
p15957
S'C=C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p15958
sS'CPD-14271'
p15959
S'CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p15960
sS'CPD-14270'
p15961
S'CCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)=O'
p15962
sS'CPD-14792'
p15963
S'C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC(C)C(=C)C'
p15964
sS'CPD-6501'
p15965
S'CC(=O)OCC1(C=CC=CC=1)'
p15966
sS'A-METHYLATED-AMINE'
p15967
S'CN[R]'
p15968
sS'CPD-14793'
p15969
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(NC(C)=O)C(O)C(O)2))O3))'
p15970
sS'CPD-8657'
p15971
S'C(C3(C(C(C(C(OC1(=CC2(CC(NC(C=C1O)=2)C([O-])=O)))O3)OC4(C(C(C(C(O4)C([O-])=O)O)O)O))O)O))O'
p15972
sS'UBIQUINONE-8'
p15973
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p15974
sS'UBIQUINONE-9'
p15975
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p15976
sS'CPD-12848'
p15977
S'CN2(C1(C=CC=C(O)C=1NC3(=C2C=CC=C3)))'
p15978
sS'CYCLOPENTANONE'
p15979
S'C1(CCC(C1)=O)'
p15980
sS'UBIQUINONE-2'
p15981
S'CC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p15982
sS'CPD-12849'
p15983
S'C(=C(O)C(=O)[O-])C(=CC(=O)[O-])C(=O)[O-]'
p15984
sS'UBIQUINONE-6'
p15985
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p15986
sS'CPD-6362'
p15987
S'C1(C=CC2(NC(=O)C(O)C(C=1)=2))'
p15988
sS'NYSTOSE'
p15989
S'C(C4(OC(OC1(C(C(O)C(O1)CO)O)(COC3(COC2(OC(CO)C(O)C2O)(CO))(C(O)C(O)C(CO)O3)))C(C(O)C4O)O))O'
p15990
sS'CPD-17951'
p15991
S'CC(C(O)C)C=CCC3(CO[CH](C(O)C(=CC(OCCCCCCCC(=O)NC2(=C1(SS(C=C1NC(=O)2)(=O)=O)))=O)C)C(O)C3O)'
p15992
sS'CPD-18156'
p15993
S'C1(OC(C(C(O)C1OC5(C(O)C(O)C(CO)OC(C2(=C([O-])C=C3(OC(=CC(=O)C(=C(O)2)3)C4(=CC=C(O)C=C4))))5))O)O)'
p15994
sS'CPD-18157'
p15995
S'C(O)C2(OC(C(OC1(C(O)C(O)C(O)OC1))C(O)C(O)2)C5(=C(OC3(OCC(O)C(O)C(O)3))C=C4(OC(=CC(C4=C(O)5)=O)C6(C=CC(O)=CC=6))))'
p15996
sS'CPD-18154'
p15997
S'C(=O)(C1(=CC(C(O)=C(O)C(O)=C1)=O))[O-]'
p15998
sS'CPD-18155'
p15999
S'C1(OC(=O)C2(=C(O)C(=O)C(=C(O)C=C12)O))(=O)'
p16000
sS'CPD-18152'
p16001
S'C1(OC(O)C2(=C(O)C=C(O)C(=O)C=C12))'
p16002
sS'CPD-18153'
p16003
S'C1(O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p16004
sS'CPD-18151'
p16005
S'C1(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p16006
sS'BIS-GAMMA-GLUTAMYLCYSTINE'
p16007
S'C(SSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O)C(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p16008
sS'CPD-18158'
p16009
S'C1(C=C(O)C=CC=1C3(=CC(=O)C4(=C(O)C(=C(OC2(C(C(C(O)C(O2)CO)O)O))C=C(O3)4)C5(OC(CO)C(O)C(O)C(O)5))))'
p16010
sS'CPD-18159'
p16011
S'C=CC1(C=C(OC)C5(=C(C=1)C(=O)OC4(=C(C=C(OC)C3(C(=CC=C(C2(OC(C(OC(=O)C)C([N+](C)C)C(O)2)C))C=34)O))5)))'
p16012
sS'CPD-12720'
p16013
S'C([N+])CCC([N+])CC(=O)NCCCC([N+])CC(=O)NCCCC([N+])CC(=O)NC3(C([N+]=C2(NC1(C(C(=O)NCC(O)1)N2)))OC(CO)C(OC(=O)N)C(O)3)'
p16014
sS'PENTACHLOROETHANE'
p16015
S'C(C(Cl)(Cl)Cl)(Cl)Cl'
p16016
sS'ENOL-OXALOACETATE'
p16017
S'C([O-])(=O)C(O)=CC(=O)[O-]'
p16018
sS'DADP'
p16019
S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP(OP([O-])([O-])=O)([O-])=O'
p16020
sS'CPD-8950'
p16021
S'C8(OC(=O)C%14(C(C%13(C(O)=C(C(OC1(C(=CC(O)=C(O)C(O)=1)C(=O)OC6(C(OC(=O)C2(C=C(O)C(O)=C(O)C=2))C4(OC(C3(=C(C(O)=C(C(=C3)O)O)C7(C(C(OCC4OC(OC(C5(C=C(O)C(O)=C(O)C=5))=O)6)=O)=CC(O)=C(O)C(O)=7)))=O))))=CC(C(=O)OC%12(C8OC(OC(C9(C=C(O)C(O)=C(O)C=9))=O)C(OC(=O)C%10(C=C(O)C(O)=C(O)C=%10))C(OC(=O)C%11(C=C(O)C(O)=C(O)C=%11))%12))=%13)O))=C(O)C(O)=C(O)C=%14))'
p16022
sS'PALMITOYLGLYCERONE-PHOSPHATE'
p16023
S'CCCCCCCCCCCCCCCC(OCC(COP([O-])([O-])=O)=O)=O'
p16024
sS'CPD-8956'
p16025
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C7(OC(C(OC(C3(=CC(O)=C(O)C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)=C3))=O)C(OC(=O)C4(C=C(O)C(O)=C(O)C=4))C(OC(=O)C6(=CC(OC(C5(C=C(O)C(O)=C(O)C=5))=O)=C(O)C(O)=C6))7)OC(C8(C=C(O)C(O)=C(O)C=8))=O)'
p16026
sS'CPD-73'
p16027
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(OC=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16028
sS'CPD-72'
p16029
S'CC(CCCC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4CC[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p16030
sS'CPD-71'
p16031
S'CC(CCCC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p16032
sS'CPD-70'
p16033
S'CC(N)C(=O)OC(COP([O-])(=O)O[R1])C(O)C(O)C(O)OP([O-])(=O)OCC(O)C(O)C(O)C(O)OP([O-])(=O)OCC(O)C(O)C(O)CO'
p16034
sS'CPD-76'
p16035
S'CC(C)=CCCC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC([O-])=O'
p16036
sS'CPD-75'
p16037
S'CC([N+])C(=O)NC(C)C(=O)OC(CO[R2])COP([O-])(=O)O[R1]'
p16038
sS'CPD-74'
p16039
S'C=C(CC([N+])C(=O)[O-])C(=O)N'
p16040
sS'THREO-3-HYDROXY-L-ASPARTATE'
p16041
S'C(=O)([O-])C(O)C([N+])C(=O)[O-]'
p16042
sS'CPD-79'
p16043
S'COC1(=CC(=CC(=C1OC2(C(C(C(C(O2)CO)O)O)O))OC)C=CC=O)'
p16044
sS'TRIFLUOROMETHIONINE'
p16045
S'C(CC(C(=O)[O-])[N+])SC(F)(F)F'
p16046
sS'BISOHMYR-GLC'
p16047
S'CCCCCCCCCCCC(O)CC(=O)NC2(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(CO)C(C2OC(CC(O)CCCCCCCCCCC)=O)O)'
p16048
sS'5-HYDROXY-FERULOYL-COA'
p16049
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(O)C=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16050
sS'CPD-15051'
p16051
S'COC1(C=C(C=C(OC)C=1O)C2(C(=CC3(C([O-])=CC(O)=CC([O+]=2)=3))[O-]))'
p16052
sS'CPD0-1114'
p16053
S'CC(C(C(C(CO)O)O)O)O'
p16054
sS'CPD-15053'
p16055
S'COC2(C=C(C3(C=C(C(C1(=CC=C(C(=C1)OC)O))=[O+]C(C=2)=3)[O-]))[O-])'
p16056
sS'CPD0-1113'
p16057
S'C[CH]1(O[CH](P(O)([O-])=O)1)'
p16058
sS'CPD0-1110'
p16059
S'C1(OC(C(C(C1O)O)O)O)'
p16060
sS'CPD-15059'
p16061
S'CC(CCC(=O)C(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p16062
sS'ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER'
p16063
S'CC(=O)NC3(C(CC(C(=O)[O-])(OC1(C(O)C(OC(CO)C(O)1)OC2(C(CO)OC(C(NC(C)=O)C(O)2)O[R])))O[CH]3C(O)C(O)CO)O)'
p16064
sS'ISOBUTYRATE'
p16065
S'CC(C)C([O-])=O'
p16066
sS'CPD0-1118'
p16067
S'CC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p16068
sS'CPD0-1119'
p16069
S'[As]1(O[As](O)O[As](O1)O)(O)'
p16070
sS'CPD-18564'
p16071
S'CCCCCCCCCCCCCCCCCCC(CC(C=C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C)C)C'
p16072
sS'CPD4FS-5'
p16073
S'C(C1(OC(OP(=O)([O-])[O-])C(C(C(O)1)O)O))O'
p16074
sS'CPD-13281'
p16075
S'CC(C)=CCCC(=C)C1(CCC2([CH]1CC[CH]3(C(C)2CC[CH]4(C(C)3CCC(O)C(C)(C)4)))(C))'
p16076
sS'CPD-3627'
p16077
S'CCC(C)[N+]'
p16078
sS'IODOACETAMIDE'
p16079
S'C(I)C(N)=O'
p16080
sS'PARATHION'
p16081
S'CCOP(OC1(C=CC(=CC=1)[N+](=O)[O-]))(OCC)=S'
p16082
sS'SINAPOYLTARTRONATE'
p16083
S'COC1(=CC(C=CC(=O)OC(C(=O)[O-])C(=O)[O-])=CC(OC)=C(O)1)'
p16084
sS'5Z8Z10E14Z-12S-12-HYDROPEROXYICOS'
p16085
S'CCCCCC=CCC(C=CC=CCC=CCCCC(=O)[O-])OO'
p16086
sS'5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE-'
p16087
S'C3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C(=O)3)'
p16088
sS'CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL'
p16089
S'C1(C=CC(=CC=1)C2(=CC=CC(O)C(O)2))'
p16090
sS'N-FORMIMINO-GLYCINE'
p16091
S'C(NCC([O-])=O)=[N+]'
p16092
sS'PENTAHYDROXYCYCLOHEXANONE'
p16093
S'COC1(C(C(C(C(C1O)=O)O)O)O)'
p16094
sS'CPD-7753'
p16095
S'CCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O'
p16096
sS'CPD-7755'
p16097
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O'
p16098
sS'CPD-7754'
p16099
S'CCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O'
p16100
sS'CPD-7757'
p16101
S'CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p16102
sS'CPD-7756'
p16103
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O'
p16104
sS'CPD-7759'
p16105
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCC)=O'
p16106
sS'CPD-7758'
p16107
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O'
p16108
sS'NAPHTHOL'
p16109
S'C1(C=CC2(=C(C=1)C=CC=C2O))'
p16110
sS'CPD-16653'
p16111
S'CC(C)=CCOC1(C=CC(CC(C(=O)[O-])[N+])=CC=1)'
p16112
sS'CPD-16652'
p16113
S'C(O)C2(NC(=O)C(CC1(C=CC(O)=CC=1))NC(=O)2)'
p16114
sS'CPD-16651'
p16115
S'CC(C)=CCC1(=CC(=O)C=C2(C1=NC3(=C(N(C)2)C=CC=C(C(=O)[O-])3)))'
p16116
sS'CPD-16650'
p16117
S'CC(C)=CCC1(=CC=CC2(=C1N=C3(C(=N2)C=CC=C(C(=O)[O-])3)))'
p16118
sS'CPD-16657'
p16119
S'CC(C)=CCCC(C)=CCC2(C(C1(C(O)=CC(O)=CC=1C(=O)C=2O))=O)'
p16120
sS'CPD-16656'
p16121
S'C=CC(C)(CCC=C(C)C)C2(C(C1(C(O)=CC(O)=CC=1C(=O)C=2O))=O)'
p16122
sS'CPD-16655'
p16123
S'CC1(C(C)(C)C(=O)C3(O1)(C[CH]4(N5(C(=O)C2(CO)(N(C)C(=O)C(SS2)(CC(O)(C(OC(C)=O)3)4)5)))))'
p16124
sS'3-METHYL-CROTONYL-COA'
p16125
S'CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C'
p16126
sS'CPD-4211'
p16127
S'CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p16128
sS'CPD-4210'
p16129
S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))CO'
p16130
sS'CPD-16659'
p16131
S'C=CC(C)(CCC=C(C)C)C1(C(O)=CC2(=C(C(O)=1)C(C(C)=C(OC)C(=O)2)=O))'
p16132
sS'CPD-9332'
p16133
S'CC(C)CCCCC(=O)NCC1(=CC=C(O)C(OC)=C1)'
p16134
sS'CPD-9335'
p16135
S'CNC1(=NC(O)=NC(O)=N1)'
p16136
sS'CPD-9334'
p16137
S'C1(NC(=O)N=C(N)N=1)'
p16138
sS'CPD-9336'
p16139
S'CN(C)C1(=NC(N)=NC(O)=N1)'
p16140
sS'CPD-9627'
p16141
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(O)=CC(C(=O)C=1C=C2)=3)OC)O)))'
p16142
sS'CPD-9626'
p16143
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(O)=CC(C(=O)C=1C=C2)=3)[O-])O)))'
p16144
sS'CPD-12721'
p16145
S'C([N+])CCC([N+])CC(=O)NCCCC([N+])CC(=O)NCCCC([N+])CC(=O)NC2(C([N+]=C1(NC(C(C(=O)[O-])N1)C(O)C[N+]))OC(CO)C(OC(=O)N)C(O)2)'
p16146
sS'CPD-9624'
p16147
S'COC2(=C(C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C=C(O)2)=3)))O)'
p16148
sS'CPD-9623'
p16149
S'CC2(=C(O)C1(C(=O)C3(C=C(C(OC)=C(C(C(=O)C=1C=C2)=3)O)O)))'
p16150
sS'CPD-9622'
p16151
S'COC2(=C(OC)C(=C(C1(C(=O)C3(C(O)=CC=CC(C(=O)C=12)=3)))OC)OC)'
p16152
sS'CPD-9621'
p16153
S'CC3(=C(O)C2(C(=O)C4(C(=C(C1(OCOC=1C(C(=O)C=2C(=C3)O)=4))OC)OC)))'
p16154
sS'CPD-12724'
p16155
S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p16156
sS'CPD-12729'
p16157
S'C(O)C5(C(O)C(O)C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))C(OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))O5)'
p16158
sS'CPD-12728'
p16159
S'COC4(C2(=C(C(=O)C=C(C1(C=CC=CC=1))O2)C(O)=CC(OC3(OC(C([O-])=O)C(O)C(O)C(O)3))=4))'
p16160
sS'CPD-9629'
p16161
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(OC)=CC(C(=O)C=1C=C2)=3)O)OC)))'
p16162
sS'CPD-9628'
p16163
S'CC2(=C(O)C1(C(=O)C3(C(=C(C(OC)=CC(C(=O)C=1C=C2)=3)O)O)))'
p16164
sS'ARSENATE'
p16165
S'[As](=O)(O)([O-])[O-]'
p16166
sS'INDOLE_PYRUVATE'
p16167
S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p16168
sS'FRUCTOSE-6P'
p16169
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p16170
sS'CPD-3943'
p16171
S'CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p16172
sS'CPD-13285'
p16173
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC1(C(C)=CCC(C(C)(C)1)O)'
p16174
sS'DIETHYLETHER'
p16175
S'CCOCC'
p16176
sS'INOSITOL-1-4-BISPHOSPHATE'
p16177
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)'
p16178
sS'CPD-274'
p16179
S'C(=O)([O-])C2(=NC1(C(C(C=CC=1C(=C2)[O-])O)O))'
p16180
sS'CPD-275'
p16181
S'C1(C=C2(C(=C(C=1)O)C(C(=CC2=O)[O-])=O))'
p16182
sS'CPD-276'
p16183
S'CC(O)(C)CCC(O)C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p16184
sS'CPD-277'
p16185
S'C([O-])(=O)C=CC(CC(C([O-])=O)=O)=O'
p16186
sS'CPDQT-326'
p16187
S'CCC(C(C)C)C(O)C(O)C(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2COC(=O)[CH]4(C(C)3CC(O)C(O)C4))))'
p16188
sS'CPD-272'
p16189
S'CC(=O)C4(CCC3(C2(CCC1(=CC(CCC1(C2C(CC34C)O)C)=O))))'
p16190
sS'CPD-273'
p16191
S'C(C(C(C1(OC(CC(C1NC(CO)=O)O)(O)C([O-])=O))O)O)O'
p16192
sS'CYS-GLY'
p16193
S'C(C([O-])=O)NC(C(CS)[N+])=O'
p16194
sS'CPD-278'
p16195
S'CC(=C1(CCC(=CC1=O)C))C'
p16196
sS'RHAMNOSE'
p16197
S'CC1(C(C(C(C(O1)O)O)O)O)'
p16198
sS'CPD-11588'
p16199
S'CC34(C(CCC2(C(CCC1(C)(C(C(O)CC(O)1)2))3))=CC(=O)CC4)'
p16200
sS'N-TETRADECANOYLGLYCYL-PEPTIDE'
p16201
S'CCCCCCCCCCCCCC(=O)C(N)C(=O)NC([R])C(=O)O'
p16202
sS'ANHYDROTETRACYCLINE'
p16203
S'CC1(=C3(CC4(C(C([O-])=C(C(N)=O)C(=O)C(O)(C(=O)C(=C(O)C2(C(O)=CC=CC1=2))3)4)[N+](C)C)))'
p16204
sS'CPD-11583'
p16205
S'CC34(C(C(O)C[CH]2([CH](CCC1(C)(C(O)CC[CH]12))3))=CC(=O)CC4)'
p16206
sS'CPD-11586'
p16207
S'C1(C=CC(=CC=1)NNC(=S)N=NC2(=CC=CC=C2))'
p16208
sS'CPD-11587'
p16209
S'CC1(=CC(O)=C3(C(=C1)CC2(=CC=CC(O)=C2C(=O)3)))'
p16210
sS'CPD-14604'
p16211
S'CC(CCC([O-])=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))2)3))OC)'
p16212
sS'CPD-11585'
p16213
S'CC(=O)NCCCC[N+]CCCNC(C)=O'
p16214
sS'BENZOYLSUCCINYL-COA'
p16215
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16216
sS'CPD-12526'
p16217
S'CC(=O)NC1(C(O)C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])OC(O)1)'
p16218
sS'CPD-17290'
p16219
S'CCCCCC=CCC=CCCCCCC(=O)[O-]'
p16220
sS'CPD-17291'
p16221
S'CCC=CCC=CCC=CCCCCCC(=O)[O-]'
p16222
sS'CPD-17520'
p16223
S'CC4(=C([O-])C(=O)C3(=C(N2(C[CH]1(N[CH]1C(OC)2C(COC(=O)N)3)))C(=O)4))'
p16224
sS'CPD-17521'
p16225
S'CC4(=C(OC)C(=O)C3(=C(N2(C[CH]1(N(C)[CH]1C(O)2C(COC(=O)N)3)))C(=O)4))'
p16226
sS'CPD-17526'
p16227
S'CCC1(CC([N+])(C([O-])=O)1)'
p16228
sS'CPD-17524'
p16229
S'CCCCCCCCCCCCCCCC(=O)OC(CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])(=O)OC3(OCC([N+])C(O)C(O)3))))CCCCCCCCCCC'
p16230
sS'2-3-DIHYDROXYPHENYL-PROPIONATE'
p16231
S'C(CCC1(C(=C(C=CC=1)O)O))([O-])=O'
p16232
sS'CPD-17299'
p16233
S'CCCCCCCCCCCCC=CCC([O-])=O'
p16234
sS'CPD-17528'
p16235
S'CC2(C(NC1(C(O)C(C(O)C(CO)=C1)O))C(O)C(O)C(O2)OC4(C(O)C(C(OC3(C(O)C(C(O)OC(CO)3)O))OC(CO)4)O))'
p16236
sS'CPD-17529'
p16237
S'CC2(C(NC1(C(O)C(C(O)C(COP([O-])(=O)[O-])=C1)O))C(O)C(O)C(O2)OC4(C(O)C(C(OC3(C(O)C(C(O)OC(CO)3)O))OC(CO)4)O))'
p16238
sS'CPD-8576'
p16239
S'C1([R])(C(CO)OC(C(C1O)O)OC2(C(CO)OC(C(C2O)O)OC3(C(CO)OC(C(C3O)O)O[R])))'
p16240
sS'CPD-8577'
p16241
S'COCC1(C(C(C(C(O1)OC2(C(CO)OC(C(C2O)O)O[R]))O)O)OC3(C(C(C([R])C(CO)O3)O)O))'
p16242
sS'CPD-13452'
p16243
S'C(O)C1(OC(O)C(OS(=O)(=O)[O-])C(C(O)1)OC2(OC(COS([O-])(=O)=O)C(C(O)C(OS(=O)(=O)[O-])2)OC3(OC(CO)C(O)C(C(OS(=O)(=O)[O-])3)OC4(OC(COS([O-])(=O)=O)C(C(O)C(OS(=O)(=O)[O-])4)OC5(OC(CO)C(O)C(C(OS(=O)(=O)[O-])5)OC6(OC(COS(=O)([O-])=O)C(O)C(O)C(OS(=O)(=O)[O-])6))))))'
p16244
sS'CPD0-1480'
p16245
S'C1(C=CC2(=C(C=1)C(=CN2)CC(C(NO)=O)[N+]))'
p16246
sS'CPD-13450'
p16247
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)OC4(C(O)C(CO)OC(C(O)4)OC%10([CH]5(CO[CH](C(O)C(O5)OC6(C(O)C(CO)OC(C(O)6)OC9([CH]7(CO[CH](C(O)C(O7)OC8(C(O)C(CO)OC(C(O)8)O))9))))%10))))))'
p16248
sS'CPD-13451'
p16249
S'C(O)C1(OC(O)C(OS(=O)(=O)[O-])C(C(O)1)OC2(OC(COS([O-])(=O)=O)C(C(O)C(OS(=O)(=O)[O-])2)OC3(OC(CO)C(O)C(C(OS(=O)(=O)[O-])3)OC4(OC(COS(=O)([O-])=O)C(O)C(O)C(OS(=O)(=O)[O-])4))))'
p16250
sS'S-METHYLGLUTATHIONE'
p16251
S'CSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p16252
sS'CPD-13457'
p16253
S'C(O)C4(OC(OC3([CH]2(OC[CH](OC(OC1(C(O)C(O)OC(CO)C(OS(=O)([O-])=O)1))C(O)2)3)))C(O)C(C(O)4)OC5(O[CH]6(CO[CH](C(O)5)C6O)))'
p16254
sS'CPD-13455'
p16255
S'COC5(C(OC)=CC4(C(C2(C=C1(OCOC1=CC=2)))=C3(C(=O)OCC3=CC=4C=5)))'
p16256
sS'CPD-13458'
p16257
S'C(O)C1(OC(O)C(O)C(C(O)1)OC2(O[CH]3(CO[CH](C(O)2)C3O)))'
p16258
sS'CPD0-1483'
p16259
S'CC(C(CCCCCC(=O)[O-])=N)=O'
p16260
sS'CPD-11635'
p16261
S'C2(C[N+]C(C(NC1(C=CC(=CC=1)[N+](=O)[O-]))=O)C2)'
p16262
sS'CPD-11637'
p16263
S'CSCCC([N+])C(=O)N'
p16264
sS'CPD-11638'
p16265
S'C(CCC(C(N)=O)[N+])(N)=O'
p16266
sS'CPD-11639'
p16267
S'C1(CCC(C(N)=O)C[N+]1)'
p16268
sS'4-HYDROXY-3-INDOLYLMETHYL-GLUCOSINOLATE'
p16269
S'C2(=C(C1(C(O)=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p16270
sS'CPD0-1485'
p16271
S'CC(C(CCCCCC(=O)[O-])=O)=O'
p16272
sS'SUPER-OXIDE'
p16273
S'[O-]O'
p16274
sS'CPD-13188'
p16275
S'CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)O))'
p16276
sS'CPD-17747'
p16277
S'CC1(C[N+]C(C(=O)[O-])C(O)1)'
p16278
sS'CPD-15329'
p16279
S'CCOC(=O)C(CCC1(C=CC=CC=1))NC3(C(=O)N(CC([O-])=O)C2(C(=CC=CC=2)CC3))'
p16280
sS'CPD-17742'
p16281
S'C1([N+]C(C(=O)[O-])CC1O)'
p16282
sS'COUMARALDEHYDE'
p16283
S'C(=O)C=CC1(C=CC(O)=CC=1)'
p16284
sS'CPD-17740'
p16285
S'CCCCCC=CCC=CCCCCCCCC(=O)NC3(C(NC(C(O)C)C(=O)N1(C(CC(O)C1)C(=O)NC(C(NC(C(O)C)C(=O)N2(C(C(O)C(C)C2)C(NC(O)C(O)C3)=O))=O)C(O)CC4(=CC=C(O)C=C4)))=O)'
p16286
sS'CPD-4101'
p16287
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))'
p16288
sS'CPD-13181'
p16289
S'CCCCC(C)C(OC(CC(C([O-])=O)CC(=O)[O-])=O)C(OC(=O)CC(C([O-])=O)CC([O-])=O)CC(C)CC(O)CCCCC(O)CC(O)C([N+])C'
p16290
sS'CPD-13182'
p16291
S'CCCCC(C)C(O)C(O)CC(C)CC(O)CCCCC(O)CC(O)C([N+])C'
p16292
sS'CPD-13184'
p16293
S'CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)=O)O)O)O)O)O'
p16294
sS'CPD-17748'
p16295
S'CC2(C(OC1(OC(C(=O)[O-])C(O)C(O)C(O)1))C(C(C(O2)O)O)OS([O-])(=O)=O)'
p16296
sS'CPD-13187'
p16297
S'CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))'
p16298
sS'CPD-15771'
p16299
S'CCC(=O)CC(=O)C1(=C(CC(SCCNC(=O)CCNC(C(O)C(C)(C)COP(=O)([O-])OCC(N[a'
p16300
sS'CPD-5621'
p16301
S'CC(=O)C[N+](C)(C)C'
p16302
sS'DECOYININE'
p16303
S'C=C1(C(C(C(O1)(CO)N2(C=NC3(=C2N=CN=C3N)))O)O)'
p16304
sS'ETHYLACETIMIDATE'
p16305
S'CCOC(C)=[N+]'
p16306
sS'CPD0-1629'
p16307
S'CC1(CCC2(OC1)(O[CH]3([CH](C(C)2)C4(C)([CH](C(O)3)[CH]5([CH](CC4)C%11(C)([CH](CC5)CC(OC%10(C(O)C(O)C(OC9(OC(CO)C(O)C(OC6(OCC(O)C(O)C(O)6))C(OC8(OC(CO)C(O)C(OC7(OC(CO)C(O)C(O)C(O)7))C(O)8))9))C(CO)O%10))C(O)C%11))))))'
p16308
sS'D-CARNITINE'
p16309
S'C[N+](CC(O)CC(=O)[O-])(C)C'
p16310
sS'2-AMINO-MUCONATE'
p16311
S'C([O-])(=O)C=CC=C(N)C(=O)[O-]'
p16312
sS'CPD-15774'
p16313
S'C(O)C(O)C(O)C(C=O)OP(=O)([O-])OC1(C(CO)OC(CO)(C(O)1)OC2(OC(CO)C(O)C(O)C(O)2))'
p16314
sS'DIHYDROCLAVAMINATE'
p16315
S'C([N+])CC2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p16316
sS'DTDP-RHAMNOSE'
p16317
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C(O)C(O)2))O3))'
p16318
sS'CPD-12447'
p16319
S'C(O)C3(C(O)C(O)C(O)C(OC2(C(C(CCC1(C=CC(O)=CC=1))=O)=C(O)C=C([O-])C=2))O3)'
p16320
sS'ADENOSYLCOBINAMIDE'
p16321
S'C[CH](CNC(CCC4(C8(N3([Co--]17([N+]5(C(=C(C)C2(=[N+]1C(C(C2CCC(N)=O)(CC(=O)N)C)(C)[CH]3C(CC(=O)N)4))C(C(CCC(=O)N)C=5C=C6(C(C)(C)C(CCC(=O)N)C(=[N+]67)C=8C))(CC(=O)N)C))CC9(OC(C(O)C(O)9)N%11(C=NC%10(=C(N)N=CN=C%10%11))))))C)=O)O'
p16322
sS'CPD-12444'
p16323
S'C=C(C1(CCC(C(O)C1)C([O-])=O))C'
p16324
sS'CPD-17371'
p16325
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCC=CCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16326
sS'CARBAMOYLOXAMATE'
p16327
S'C(N)(C([O-])=O)OC(N)=O'
p16328
sS'20A-20B-DIHYDROXY-CHOLESTEROL'
p16329
S'CC(C)CCC(O)C(O)(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p16330
sS'CPD-12445'
p16331
S'C=C(C(CCCC([O-])=O)CC([O-])=O)C'
p16332
sS'CPD-14729'
p16333
S'CCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p16334
sS'CPD-11968'
p16335
S'C1(N(O)C(=O)CCC(=O)NCC(O)CCN(O)C(=O)CCC(=O)NCC(O)C1)'
p16336
sS'CPD-18439'
p16337
S'CC2(CCC1(C)(C4(C(OC(=O)C)CC(OC1C=2)C3(OC3)4)(C)))'
p16338
sS'CPD-18435'
p16339
S'CCCCC(C)C(O)C(C)C(=O)C(C)=CC(OC)C(O)C(OC)C(=O)NC(C([O-])=O)CC1(C=C(Cl)C(O)=CC=1)'
p16340
sS'CPD-11961'
p16341
S'CC(C(=O)O)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p16342
sS'CPD-18437'
p16343
S'CC(C)C1(C(=O)N3([CH](C(N(C)CC(N(C(C(C)C)C(=O)OC(C)C(C(N1)=O)NC(=O)C2(C=CC(C)=C(C(N)=2)O))C)=O)=O)CCC3))'
p16344
sS'CPD-11963'
p16345
S'C(NO)CCC[N+]'
p16346
sS'CPD-11964'
p16347
S'C([N+])CCCN(O)C(=O)CCC(=O)[O-]'
p16348
sS'CPD-11965'
p16349
S'C(N)CCCN(O)C(=O)CCC(=O)NCCCCN(O)C(CCC(O)=O)=O'
p16350
sS'CPD-18433'
p16351
S'CCCCC(C)C(O)C(C)C(=O)C(C)=CC(OC)C(O)C(OCC)C(=O)NC=CC1(C=C(Cl)C(O)=CC=1)'
p16352
sS'CPD-18432'
p16353
S'CCCCC(C)C(O)C(C)C(=O)C(C)=CC(OC)C(O)C(OC)C(=O)NC=CC1(C=C(Cl)C(O)=CC=1)'
p16354
sS'CPD0-1343'
p16355
S'C2(N(C1(CC(O)C(COP(OP([O-])(=O)OP(=O)([O-])[O-])([O-])=O)O1))C(=O)N=C(N)C(Br)=2)'
p16356
sS'CPD0-1342'
p16357
S'C(O)C1(C(O)CC(O1)N2(C=C([S-])C(=O)NC(=O)2))'
p16358
sS'CPD-12929'
p16359
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p16360
sS'CPD0-1346'
p16361
S'C2(N(C1(CC(O)C(COP([O-])(=O)OP([O-])(=O)OP(=O)([O-])[O-])O1))C(=O)NC(=O)C(CO)=2)'
p16362
sS'CPD0-1345'
p16363
S'C(O)C2(C(=NC(N(C1(CC(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O))C=2)=O)N)'
p16364
sS'CPD0-1344'
p16365
S'C2(N(C1(CC(O)C(COP(OP([O-])(=O)OP(=O)([O-])[O-])([O-])=O)O1))C(=O)N=C(N)C(I)=2)'
p16366
sS'CPD-12925'
p16367
S'C1(O)(=NC(O)=C(O)N=C1)'
p16368
sS'CPD-15604'
p16369
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(C(O)C[CH]12)=O))3))4)'
p16370
sS'CPD0-1349'
p16371
S'C1(CCC(=O)C(=O)C1)'
p16372
sS'CPD0-1348'
p16373
S'CC2(CC(C)CC(C)C(C(C#N)=CC=CCC(C1(CCCC(C([O-])=O)1))OC(CC(C(C)C2)O)=O)O)'
p16374
sS'CPD-15601'
p16375
S'CC(O)(CO)CCC(O)C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p16376
sS'CPD-15600'
p16377
S'CC1(C(O)C([N+])C(O)C(O)O1)'
p16378
sS'CPD-15603'
p16379
S'CC(O)(C=O)CCC(O)C(O)(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(O)C[CH](C(=O)C=C23)4)O))))'
p16380
sS'CPD-15602'
p16381
S'CC34(CC(C(O)C[CH](C(=O)C=C2([CH](CCC1(C)(C(O)(CC[CH](C(O)(C)C(O)CCC(O)(C(=O)[O-])C)1)2))3))4)O)'
p16382
sS'CPD-10211'
p16383
S'CC1(=C(O)C(O)=C(C)O1)'
p16384
sS'CPD-10210'
p16385
S'CCCC1(C(=O)C([O-])=C(C)O1)'
p16386
sS'CPD-10213'
p16387
S'C[C-]1(C(=O)C(OC)=C(C)O1)'
p16388
sS'CPD-10214'
p16389
S'CC1(=C(O)C(OC)=C(C)O1)'
p16390
sS'CPD-10216'
p16391
S'CC2(OC(C)=C(OC1(C(O)C(O)C(O)C(CO)O1))C(=O)2)'
p16392
sS'CPD-18383'
p16393
S'CC1(CCC(C)(C(O)C=1)C3(C)(CCC(O)C2(OC2)3))'
p16394
sS'CPD-18382'
p16395
S'CC1(CCC(C)(CC=1)C3(C)(CCC(O)C2(OC2)3))'
p16396
sS'CPD-18381'
p16397
S'CC1(CCC(C)(CC=1)C2(C)(CCC(O)C(=C)2))'
p16398
sS'CPD-18380'
p16399
S'CCCCCCC=CCCCCCCCC(=O)OC(COC(CCCCCCCCCCCCC)=O)COP([O-])(=O)[O-]'
p16400
sS'CPD-18387'
p16401
S'CCCCCCC=CCCCCCCCC(OC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)COC(=O)CCCCCCCCCCCCC)=O'
p16402
sS'CPD-4863'
p16403
S'CC(C)C(N(O)O)C([O-])=O'
p16404
sS'CPD-18385'
p16405
S'CC1(CCC(O)(C)C=C1)C3(C)(CC(O)C(O)C2(OC2)3)'
p16406
sS'CPD-4861'
p16407
S'CC([CH]=NO)C'
p16408
sS'CPD-18388'
p16409
S'CCCCCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCCCCCCC'
p16410
sS'CPD-19136'
p16411
S'C(C(C(O)CO)=O)OP([O-])([O-])=O'
p16412
sS'VINORINE'
p16413
S'CC=C4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N=C2[CH](C3)N(C4)[CH]5C6)))))'
p16414
sS'N-NITROARGININE'
p16415
S'C(CN=C(N)N[N+](=O)[O-])CC(C(=O)[O-])[N+]'
p16416
sS'CPD-15936'
p16417
S'CC(=O)C1(C(CC(=O)CC([O-])=O)=CC2(C(C(O)=1)=C(C3(=C(O)C=C(C=C(C=2)3)O))O))'
p16418
sS'CPD-15935'
p16419
S'CC2(C=CC(=O)OC(C)C(COC1(C(C(C(C(C)O1)O)OC)OC))C4(C(C=CC(C(C)(CC(C)C2OC3(C(C(CC(C)O3)OC)O))O)=O)O4))'
p16420
sS'CPD-15934'
p16421
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)O)=O)C)'
p16422
sS'CPD-15933'
p16423
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)C)'
p16424
sS'CPD-15932'
p16425
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)CO)'
p16426
sS'CPD-15930'
p16427
S'C=CC(=C)CC(O)CC(C)C'
p16428
sS'CPD-7108'
p16429
S'CC(=CCC1(C(=C(C(C(C=1[O-])(O)CC=C(C)C)=O)C(C(C)C)=O)O))C'
p16430
sS'CPD-7109'
p16431
S'CC(=CCC1(=C(C=C(C(=C1O)C(CC(C)C)=O)O)[O-]))C'
p16432
sS'CPD-7104'
p16433
S'CC(C(C1(C(=CC(=CC=1O)O)O))=O)C'
p16434
sS'CPD-7105'
p16435
S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C'
p16436
sS'CPD-7106'
p16437
S'CC(=CCC1(C(=C(C(C(C=1[O-])(O)CC=C(C)C)=O)C(CC(C)C)=O)O))C'
p16438
sS'CPD-7107'
p16439
S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(C(C)C)=O)O))C'
p16440
sS'CPD-7100'
p16441
S'CC(C(C(=O)[O-])C(=O)C(=O)[O-])C'
p16442
sS'CPD-7101'
p16443
S'CC1([N+](=CSC(CC(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p16444
sS'CPD-7102'
p16445
S'C3(=NC1(=C(N=CN1C2(OC(C(=O)[O-])C(O)C(O)2))C(=O)N3))'
p16446
sS'DESMETHYLSULOCHRIN'
p16447
S'CC2(=CC(=C(C(=O)C1(C(C([O-])=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p16448
sS'2-AMINO-4-CARBOXYPYRIMIDINE'
p16449
S'C1(=CC(=NC(=N1)N)C(=O)[O-])'
p16450
sS'PHENYLACETOTHIOHYDROXIMATE'
p16451
S'C1(C=CC(=CC=1)CC(=NO)[S-])'
p16452
sS'SUCROSE'
p16453
S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p16454
sS'T-2-NONENAL-CMPD'
p16455
S'CCCCCCC=CC=O'
p16456
sS'CPD-14518'
p16457
S'CC4(CC(C)(C)[CH]5(CCC2(C)([CH](CC[CH]1(C3(C)(CCC(C(C)(C)O)[CH](CCC(C)12)3)))C(C)(C4)5)))'
p16458
sS'CPD-14519'
p16459
S'CC(CCC(O)C(O)C(O)CO)C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))'
p16460
sS'INULOBIOSE'
p16461
S'C(OC1(CO)(OC(CO)C(O)C(O)1))C2(O)(OC(CO)C(O)C(O)2)'
p16462
sS'CPD-14512'
p16463
S'CCC(=O)C1([N+]CCCC1)'
p16464
sS'CPD-14510'
p16465
S'CC3(C1(C2(C(C(C(C1)CC2)=C)(CC3)C)C))'
p16466
sS'CPD-16867'
p16467
S'CC(=O)OC1(C=CC(S(=O)(=O)[O-])=CC=1)'
p16468
sS'CPD-14516'
p16469
S'CCCC1(N=CC(O)CC1)'
p16470
sS'CPD-19131'
p16471
S'CCCCCCCCCCCC(OC2(C(C(OC1(OC(CO)C(C(OC(=O)C(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p16472
sS'CPD-14514'
p16473
S'CCCC1(CCC(O)C[N+]1)'
p16474
sS'CPD0-2491'
p16475
S'C1(C(=C(C2(=C(C=1)NC=C2OC3(C(C(C(C(CO)O3)O)O)O)))Cl)Br)'
p16476
sS'CPD-17231'
p16477
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(CN[CH]=O)=C1))C=C2)'
p16478
sS'ISOGLUTAMINE'
p16479
S'C(CC([O-])=O)C(C(N)=O)[N+]'
p16480
sS'EPOXYOCTA-CPD'
p16481
S'CCCCC[CH]1(C(O1)=CC=CCCCCCCCC([O-])=O)'
p16482
sS'CPD0-2498'
p16483
S'CCOC(COC1(=CC=CC=C1[N+](=O)[O-]))=O'
p16484
sS'CPD-469'
p16485
S'CC(=O)NC(C([O-])=O)CC[CH]=O'
p16486
sS'L-TYROSINE-METHYL-ESTER-4-SULFATE'
p16487
S'COC(=O)C(N)CC1(=CC=C(C=C1)OS(=O)(=O)[O-])'
p16488
sS'CPD-461'
p16489
S'CC(=CCCC(=CCOP([O-])(OP([O-])([O-])=O)=O)C)C'
p16490
sS'CPD-460'
p16491
S'CC(C)=CCC1(=CC=CC2(=C1C(=CN2)CC([N+])C(=O)[O-]))'
p16492
sS'CPD-463'
p16493
S'C([N+]C(C([O-])=O)CC[N+]1(CC(C([O-])=O)C1))CC([N+])C([O-])=O'
p16494
sS'CPD-465'
p16495
S'CC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(C)C)C)(C1COP(OP([O-])([O-])=O)([O-])=O)C))C)C)C'
p16496
sS'CPD-464'
p16497
S'CC(=CCCC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(CCC=C(C)C)C)C)(C1COP(OP(=O)([O-])[O-])([O-])=O)C))C)C)C)C'
p16498
sS'CPD-467'
p16499
S'C(CS(=O)(=O)[O-])SCC([N+])C(=O)[O-]'
p16500
sS'R-2-HYDROXYGLUTARATE'
p16501
S'C(CCC(C([O-])=O)O)([O-])=O'
p16502
sS'CPD-19168'
p16503
S'CCCCCCCCC=CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16504
sS'CPD-19169'
p16505
S'CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16506
sS'CPD-19160'
p16507
S'CCCCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16508
sS'CPD-19161'
p16509
S'CCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16510
sS'CPD-19162'
p16511
S'CCCCCCC=CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16512
sS'CPD-19163'
p16513
S'CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16514
sS'CPD-1621'
p16515
S'C1(C=C(Br)C(O)=CC(O)=1)'
p16516
sS'CPD0-1720'
p16517
S'CCC(C)(C)C(=O)SCCC(=O)OC'
p16518
sS'CPD-17237'
p16519
S'CC(=O)NCC1(OC=C(C=1)COC2(=CC=C(CCNC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2))'
p16520
sS'CPD-9433'
p16521
S'C(C1(CC(C(=CO1)O)=O))O'
p16522
sS'CPD-8819'
p16523
S'C1(C=C(N=CC=1)C2(C=CC=CN=2))'
p16524
sS'CPD-8818'
p16525
S'C1(N=C3(C(=C(C=1)C2(C=CC=C(C=2)S([O-])(=O)=O))C=CC4(=C3N=CC=C4C5(C=CC(=CC=5)S(=O)(=O)[O-]))))'
p16526
sS'CPD-9436'
p16527
S'C=CC(=C)C'
p16528
sS'CPD-9437'
p16529
S'C(=O)C(C([O-])=O)CCC([O-])=O'
p16530
sS'CPD-9435'
p16531
S'C1(C=CC(=O)C(O1)(O)CO)'
p16532
sS'CPD-8813'
p16533
S'C=C(C1(CC2(C(CC=CC(=CC1)2)C)C))C'
p16534
sS'CPD-8812'
p16535
S'CC2(=C1(CC3(CCC(C1(CC2)C3(C)C)C)))'
p16536
sS'CPD-9438'
p16537
S'C(O)C(CCC([O-])=O)C([O-])=O'
p16538
sS'CPD-9439'
p16539
S'C(O)C4(OC(OC3(C(O)C(OS(=O)(=O)[O-])C(OC2(C(OS(=O)(=O)[O-])C(OC1(C(O)C(OS(=O)(=O)[O-])C(O)OC(COS([O-])(=O)=O)1))OC(CO)C(O)2))OC(COS(=O)([O-])=O)3))C(OS(=O)(=O)[O-])C(O)C(O)4)'
p16540
sS'CPD-8817'
p16541
S'C(C1(C(=CC(=CC=1)N)O))([O-])=O'
p16542
sS'CPD-8816'
p16543
S'C(C1(C(O)=CC=CC=1O))(=O)[O-]'
p16544
sS'CPD-8815'
p16545
S'C(C1(C(=CC(=CC=1)O)O))([O-])=O'
p16546
sS'CPD-8814'
p16547
S'C1(C=CC2(=C(C=1)C=CC(=C2S(=O)(=O)[O-])N))'
p16548
sS'DELTA1-PIPERIDEINE-2-CARBOXYLATE'
p16549
S'C1(N=C(CCC1)C(=O)[O-])'
p16550
sS'CPD-8214'
p16551
S'C(Cl)(Cl)Cl'
p16552
sS'CPD-8740'
p16553
S'CC(C)C1(CCC2(C3([CH]1[CH]2CCC(=C)3))(C))'
p16554
sS'CPD-8747'
p16555
S'CC(=C1(CCC(=CCCC=C(C1)C)C))C'
p16556
sS'CPD-8210'
p16557
S'C1(=O)(S[Cu](Cl)(Cl)N2(C(C(=O)SC(Cl)(Cl)Cl)C=CC=C12))'
p16558
sS'CPD-8213'
p16559
S'C(Cl)(=S)Cl'
p16560
sS'CPD-8744'
p16561
S'CC(=C1(CCC(=CCCC(=CC1)C)C))C'
p16562
sS'CPD-8749'
p16563
S'C=C(C1(CCC(C2(CCC(C(C1)=2)C))C))C'
p16564
sS'CPD-8748'
p16565
S'CC(=C1(CCC2(CCC=C(C(C1)2)C)(C)))C'
p16566
sS'DEOXYINOSINE'
p16567
S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(O)N=CN=C23)))'
p16568
sS'3-ADPGLYCERATE'
p16569
S'C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)[O-]'
p16570
sS'1-DEOXYXYLONOJIRIMYCIN'
p16571
S'C1([N+]CC(O)C(O)C(O)1)'
p16572
sS'CPD-6402'
p16573
S'C(SSCC(NC(=O)CCC([N+])C(=O)[O-])C(NCC(N)=O)=O)C(C(NCC(N)=O)=O)NC(CCC(C([O-])=O)[N+])=O'
p16574
sS'4-P-PANTOTHENATE'
p16575
S'CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C'
p16576
sS'CPD-11607'
p16577
S'CC2(OC(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p16578
sS'CPD-10601'
p16579
S'CCC1(C=CC(O)=C(C=1)OC)'
p16580
sS'CPD-14123'
p16581
S'C1(C([N+])C(O)C(O)C(O)C(=O)1)'
p16582
sS'CPD-14122'
p16583
S'C1(C([N+])C(O)C(O)C(O)C(O)1)'
p16584
sS'CPD-18460'
p16585
S'CC3(C(C(C(NC(C)=O)C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))O3)O)NC(=O)C)'
p16586
sS'CPD-14061'
p16587
S'CC1(C)([CH]2(CC(=O)C(C)1CC(=O)2))'
p16588
sS'CPD-14120'
p16589
S'C1(C(=O)C(O)C(O)C(O)C(O)1)'
p16590
sS'CPD-11955'
p16591
S'C([N+])CCCCN(O)C(CCC([O-])=O)=O'
p16592
sS'CLAVAMINATE'
p16593
S'[CH]12(N(C(=O)C1)C(C([O-])=O)C(=CC[N+])O2)'
p16594
sS'CPD-7797'
p16595
S'CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p16596
sS'CPD-18015'
p16597
S'C1(C(O)C(NC(=O)N1)=O)'
p16598
sS'CPD-18467'
p16599
S'CC(C)=CCCC(C)[CH]1(CCC3(C)([CH]1CC=C(C)[CH]2(CCC(=C)[CH]2C3)))'
p16600
sS'DEOXY-D-RIBOSE-1-PHOSPHATE'
p16601
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p16602
sS'CPD-11957'
p16603
S'C1(NC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCC1)'
p16604
sS'CPD-9298'
p16605
S'C=CCSCC([N+])C([O-])=O'
p16606
sS'CPD0-1919'
p16607
S'O[Sb]1(O[Sb](O)O[Sb](O)O1)'
p16608
sS'CPD-9296'
p16609
S'C=CC1(CC=CSS1)'
p16610
sS'CPD0-1914'
p16611
S'CN(C(=O)C[N+])CC(=O)[O-]'
p16612
sS'CPD-9295'
p16613
S'C=CC1(SC=CCS1)'
p16614
sS'CPD-9292'
p16615
S'CC(=O)NC(C([O-])=O)C(CCNC(N)=[N+])O'
p16616
sS'CPD0-1913'
p16617
S'COC(C=CC(NCC(C(=O)[O-])NC(C(CC1(C=CC(=CC=1)O))[N+])=O)=O)=O'
p16618
sS'CPD-9290'
p16619
S'CCCCCCCCCCCC'
p16620
sS'CPD-9291'
p16621
S'CC(NC(C(=O)O)CCCN=C(N)N)=O'
p16622
sS'CPD-645'
p16623
S'C(=O)([O-])CC(O)C(O)C(=O)COP([O-])(=O)[O-]'
p16624
sS'CPD-641'
p16625
S'CC(O)(CCOP(=O)([O-])OP([O-])([O-])=O)CC(=O)[O-]'
p16626
sS'CPD-640'
p16627
S'C([O-])(=O)C(=C(O)C([O-])=O)O'
p16628
sS'CPD-643'
p16629
S'CC4(CC(=O)[O-])(C(C3(=CC1(=C(CC(=O)[O-])C(CCC(=O)[O-])=C(N1)CC2(=C(CCC(=O)[O-])C(CC(=O)[O-])=C(N2)C(O)(C)C56(OC(CC(C)(C(C(=CC(=N3)4)N5)CCC(=O)[O-])6)=O)))))CCC(=O)[O-])'
p16630
sS'N-CARBAMOYL-D-PHENYLGLYCINE'
p16631
S'C1(=CC=C(N(CC(=O)[O-])C(=O)N)C=C1)'
p16632
sS'N-23-DIHYDROXYBENZOYL-L-SERINE'
p16633
S'C1(C=C(O)C(O)=C(C=1)C(=O)NC(CO)C([O-])=O)'
p16634
sS'CPD-649'
p16635
S'CCCCCCCCCCCCCCCC(C(COP([O-])(=O)[O-])[N+])O'
p16636
sS'CPD-18468'
p16637
S'CC(C)=CCCC(C)=CCCC1(C)([CH]2([CH](C1)C(=C)CCC=C(C)CC2))'
p16638
sS'CPD-1763'
p16639
S'CC1(=CC3(CC(C)(C)CC2(C(C)CCC12)3))'
p16640
sS'CPD-18469'
p16641
S'CC(O)C(NC(=O)C)[CH]1(C(C(CC(C([O-])=O)(O)O1)O)NC(C)=O)'
p16642
sS'N-PHOSPHOLOMBRICINE'
p16643
S'C(COP([O-])(=O)OCC(C([O-])=O)[N+])NC(NP([O-])(=O)[O-])=[N+]'
p16644
sS'CPD-16359'
p16645
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p16646
sS'CPD-16828'
p16647
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(CO)C2=C3)))'
p16648
sS'CPD-16829'
p16649
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p16650
sS'CPD-16352'
p16651
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCC'
p16652
sS'CPD-16825'
p16653
S'C1(C=C(C=C2(OCC(CC=12)C3(C=CC(=CC=3)OS([O-])(=O)=O)))O)'
p16654
sS'CPD-16826'
p16655
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C)=C2C3)))'
p16656
sS'CPD-16827'
p16657
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)=C2C3)))'
p16658
sS'CPD-16356'
p16659
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(CCCCCCCCCCCCCCC)O'
p16660
sS'CPD-16357'
p16661
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(O)CCCCCCCCCCCCCC)O'
p16662
sS'CPD-16822'
p16663
S'C([O-])(=O)CNC(CCC1(=CC=CC=C1))=O'
p16664
sS'CPD-16823'
p16665
S'C(C(=O)[O-])NCCC(=O)C1(C=CC=CC=1)'
p16666
sS'CPD-12118'
p16667
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C'
p16668
sS'CPD-12119'
p16669
S'CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C)C'
p16670
sS'CPD-12114'
p16671
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=C(O)C1(=C(C=CC=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16672
sS'CPD-12115'
p16673
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2))'
p16674
sS'CPD-12116'
p16675
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C'
p16676
sS'CPD-12117'
p16677
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C'
p16678
sS'CPD-12111'
p16679
S'C2(=CC=C1(C(C(=O)C=C(O)O1)=C2))'
p16680
sS'CPD-12112'
p16681
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16682
sS'CPD-12113'
p16683
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=C(C=CC=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16684
sS'CPD-17193'
p16685
S'CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(C)1)CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))'
p16686
sS'12-DEHYDROTETRACYCLINE'
p16687
S'CC4(C1(=CC=CC(=C1C(C2(=C(CC3(C(C(=C(C(C(C2=O)3O)=O)C(N)=O)[O-])[N+](C)C))4))=O)O))O'
p16688
sS'CPD-17191'
p16689
S'CC3(C=CC=CC=CC=CC=CC=CC=CC(OC1(OC(C)C(O)C([N+])C(O)1))CC2(OC(O)(CC(O)C2C(=O)[O-])CCCC(O)CCCC(=O)CC(O)CC(=O)CC(=O)OC3C(C)CC(C)C(O)CC(=O)C4(C=CC(N)=CC=4)))'
p16690
sS'CPD-17190'
p16691
S'CC3(C=CC=CC=CC=CC=CC=CC=CC(OC1(OC(C)C(O)C([N+])C(O)1))CC2(OC(O)(CC(O)C2C(=O)[O-])CC(O)CC(O)CC(O)CC(=O)CCCC(O)CC(=O)OC3C(C)CC(C)C(O)CC(=O)C4(C=CC(N)=CC=4)))'
p16692
sS'CPD-17197'
p16693
S'CC(C)=CCOC(C)(C)C1(OC3(C2(OC(C(O)1)2)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p16694
sS'CPD-17196'
p16695
S'CC(O)(C)C1(OC3(C2(OC(C(O)1)2)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p16696
sS'CPD-17195'
p16697
S'CC(O)(C)C1(OC3(C2(OC(C1)2)C4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p16698
sS'CPD-17194'
p16699
S'CC(O)(C)C1(OC2(C(C=O)(C(O)C1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p16700
sS'CPD-16179'
p16701
S'C(CC1(C=CC(=CC=1)O))=[N+]'
p16702
sS'CPD-17199'
p16703
S'CC(C)=CCC7(C=CC6(=C(C5(=C(C4(C)(C2(C)(C(O)(C13(OC(C(O)C(OC1CC2)C(O)(C)C)3))CC[CH]4C5)))N6))C(CC=C(C)C)=7))'
p16704
sS'CPD-17198'
p16705
S'CC(C)=CC8(OC1(C(OC3(C2(OC12)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))C(O8)(C)C))'
p16706
sS'CPD-10174'
p16707
S'C(O)CC(C1(C(O)=CC2(=C(C(O)=1)C(=O)C3(=C(C(=O)2)C=C([O-])C=C(O)3))))CO'
p16708
sS'CPD-17614'
p16709
S'CCC=CCC=CC=CC(CCCCCCCC([O-])=O)O'
p16710
sS'CPD-12015'
p16711
S'CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))'
p16712
sS'CPD-7929'
p16713
S'CCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCC'
p16714
sS'CPD-10170'
p16715
S'CC(=O)OCCC1(C2(C(OC(O)1)=CC3(=C(C(O)=2)C(=O)C4(=C(C(=O)3)C=C([O-])C=C(O)4))))'
p16716
sS'CPD-10171'
p16717
S'C(O)CC1(C2(C(OC(O)1)=CC3(=C(C(O)=2)C(=O)C4(=C(C(=O)3)C=C([O-])C=C(O)4))))'
p16718
sS'ALPHA-GLUCOSE'
p16719
S'C(O)C1(OC(C(C(C1O)O)O)O)'
p16720
sS'CPD-12311'
p16721
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C3(OC9(OC(CO)C(OC8(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC6(OC(CO)C(OC5(OC(CO)C(OC2(OC(CO)C(O)C(O)C(NC(=O)C)2))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CC(N)C(NC(=O)C(C)NC(=O)C(CCCCNC(CC([N+])C(N)=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC3C(NC(C)=O)4)C(=O)N)=O)=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)5))C(O)C(NC(=O)C)6))C(CO)OC(O)C(NC(C)=O)7))C(=O)N)=O)=O)C(NC(C)C([O-])=O)=O)C(=O)N)C(NC(C)=O)8))C(O)C(NC(=O)C)9))))C)C)C)C)C)C'
p16722
sS'CPD-7922'
p16723
S'CCCCCCCCC=CCC=CCCCCCCCCCCCCCCCCCC'
p16724
sS'CPD-7920'
p16725
S'CCCCCC=CCCCCCCCCCCCCCCCCCC'
p16726
sS'CPD-7921'
p16727
S'CCCCCCCCC=CCC=CCCCCCCCCCCCCCCCC'
p16728
sS'CPD-10178'
p16729
S'CC12(C3(=C5(C(=C(OC)C=C(OC(C)(OC=C1)2)3)C4(=C(C(=O)OCC4)C(O5)=O))))'
p16730
sS'CPD-10179'
p16731
S'COC1(C5(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC(=O)C4(=C(CCOC(=O)4)5)))'
p16732
sS'CPD-18409'
p16733
S'CC2(CCC1(C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p16734
sS'KDO2-LIPID-IVA'
p16735
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC4(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C3))C4))OP([O-])([O-])=O))'
p16736
sS'CPD-17341'
p16737
S'CC6(OC(=O)C=CC4(C)([CH](CCC35(CC2(C)(C=C1(C(COC(=O)1)(C(C)(C(=O)2)C[CH]34)5))))6))(C)'
p16738
sS'ECTOINE'
p16739
S'CC1(NCCC(C([O-])=O)[N+]=1)'
p16740
sS'CPD-17610'
p16741
S'C(OC(=O)C=CC1(C=CC(O)=CC=1))C=CC2(C=CC(O)=CC=2)'
p16742
sS'CPD-17611'
p16743
S'COC1(C=CC(=CC=1O)C4(=COC3(C(=CC=C(OC2(C(C(C(O)C(O2)CO)O)O))C=3)C4=O)))'
p16744
sS'PHOSPHORIBULOSYL-FORMIMINO-AICAR-P'
p16745
S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CN=CNC1(=C(N=CN1C2(C(O)C(C(COP(=O)([O-])[O-])O2)O))C(=O)N)'
p16746
sS'ACETONE-OXIME'
p16747
S'CC(C)=NO'
p16748
sS'CPD66-57'
p16749
S'CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]'
p16750
sS'CPD-7960'
p16751
S'C(O)C6(C(O)C(O)C(O)C(OC2(C(C1(C=C(O)C(O)=C(O)C=1))=[O+]C5(=C(C=2)C(OC4(C(O)C(O)C(O)C(COC(=O)C=CC3(C=CC(O)=C(O)C=3))O4))=CC([O-])=C5)))O6)'
p16752
sS'CPD66-56'
p16753
S'CCCCCC(O)C(O)C=CC=CC=CC=CC(O)CCCC(=O)[O-]'
p16754
sS'CPD-17348'
p16755
S'CCCCCC=CCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16756
sS'CPD-8177'
p16757
S'C=CC2(=C(C3(C=C6(C(=C(C(=C1(C5(C(=C(C(C(=O)OC)1)[O-])C(=C(C=C4(C(=C(C(C=C2N=3)=N4)C)CC))N=5)C)))N6)CCC(=O)OCC=C(C)CCCC(CCCC(CCCC(C)C)C)C)C)))C)'
p16758
sS'GLUTAMATE-1-SEMIALDEHYDE'
p16759
S'[CH](C(CCC([O-])=O)[N+])=O'
p16760
sS'CPD-14856'
p16761
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p16762
sS'CPD66-53'
p16763
S'CCCCCC(O)C=CC=CC=CC=CC(O)C(O)CCCC(=O)[O-]'
p16764
sS'FERULIC-ACID'
p16765
S'COC1(=CC(C=CC([O-])=O)=CC=C(O)1)'
p16766
sS'CPD-3611'
p16767
S'COC1(OC(C(=O)[O-])C(O)C(O)C(O)1)'
p16768
sS'CPD-14071'
p16769
S'CCCC1(C=CC(=CC=1)OC2(C(O)=C(O)C=C(CCC)C=2))'
p16770
sS'CPD-9994'
p16771
S'CC(O)C(N)C(=O)OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p16772
sS'CPD-14072'
p16773
S'CC4(OC(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)C(C(C4O)O)O)'
p16774
sS'CPD-14075'
p16775
S'C1(=CC=CC[N+]1)'
p16776
sS'6-AZAURIDINE'
p16777
S'C(O)C2(OC(N1(N=CC(=O)NC(=O)1))C(C2O)O)'
p16778
sS'CPD-9993'
p16779
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)CN'
p16780
sS'DUDP'
p16781
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p16782
sS'CPD-14079'
p16783
S'COC1(C=CN=C(OC)N=1)'
p16784
sS'CPD-14078'
p16785
S'C1(=NC(O)=C(O)C=C1)'
p16786
sS'CPD-9999'
p16787
S'CC(=O)NC(C(=O)[O-])CCP(C)([O-])=O'
p16788
sS'3-UREIDO-PROPIONATE'
p16789
S'C(NC(=O)N)CC([O-])=O'
p16790
sS'CPD-18466'
p16791
S'CC(C)=CCCC(C)[CH]1(CCC3(C)([CH]1CC=C(C)[CH]2(CCC(C)C2=C3)))'
p16792
sS'CPD-9772'
p16793
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CC1([N+](CCC1)C))=O)=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p16794
sS'CPD-13248'
p16795
S'CC2(CC[CH]1([CH]([CH](C(C([O-])=O)=C)CCC(C)1)C=2))'
p16796
sS'CPD-13247'
p16797
S'C1(C(C([O-])=CC(C=1Cl)=O)=O)'
p16798
sS'CPD-13246'
p16799
S'C1(=C(C(=O)C=C(Cl)C1=O)Cl)'
p16800
sS'CPD-13245'
p16801
S'C3(C=CC(NC1(C2(=C(C=CC=1)C=CC=C(S(=O)([O-])=O)2)))=CC=3)'
p16802
sS'CPD-13243'
p16803
S'CC(=CCCC(=CCOP([O-])([O-])=O)C)C'
p16804
sS'CPD-14215'
p16805
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(C[N+])C(O)C(O)C([N+])1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p16806
sS'CPD-14214'
p16807
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(CO)C(O)C(O)C([N+])1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p16808
sS'6Z8E10E14Z-5S12R-512-DIHYDROXYI'
p16809
S'CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]'
p16810
sS'CPD-14216'
p16811
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(C[N+])CCC([N+])1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p16812
sS'2-KETO-L-GULONOLACTONE'
p16813
S'C(C(O)C1(C(O)C(C(O1)=O)=O))O'
p16814
sS'CPD-14210'
p16815
S'CC([N+])C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(OC1(OCC(O)(C)C([N+]C)C(O)1))C(O)2))O3)'
p16816
sS'CPD-14213'
p16817
S'CC([N+]C)C3(CCC([N+])C(OC2(C([N+])CC([N+])C(OC1(OCC(O)(C)C([N+]C)C(O)1))C(O)2))O3)'
p16818
sS'CPD-14212'
p16819
S'CC([N+])C3(CCC([N+])C(OC2(C([N+])CC([N+])C(OC1(OCC(O)(C)C([N+]C)C(O)1))C(O)2))O3)'
p16820
sS'BUTANOL'
p16821
S'CCCCO'
p16822
sS'CPD-14219'
p16823
S'C[N+]C1(C(C(C(C(C1O)OC2(C(C(C(C(C[N+])O2)O)O)[N+]))[N+])O)O)'
p16824
sS'CPD-14218'
p16825
S'CC([N+])C3(C(O)C(O)C(O)C(OC2(C([N+])CC([N+])C(OC1(OCC(O)(C)C([N+]C)C(O)1))C(O)2))O3)'
p16826
sS'ISONOCARDICIN-A'
p16827
S'C(NC2(CN(C(C1(C=CC(O)=CC=1))C(=O)[O-])C(=O)2))(=O)C(=NO)C3(=CC=C(OCCC([N+])C([O-])=O)C=C3)'
p16828
sS'DL-6-FLUOROTRYPTOPHAN'
p16829
S'C1(=C(C2(C=CC(F)=CC(N1)=2))CC(C([O-])=O)[N+])'
p16830
sS'STRICTOSIDINE-AGLYCONE'
p16831
S'C=C[CH]4([CH](C[CH]3(C2(NC1(C=CC=CC=1C=2CC[N+]3))))C(C(=O)OC)=COC4O)'
p16832
sS'13-HYDROXYLUPININE'
p16833
S'C4(CC(O)CC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p16834
sS'CPD-18178'
p16835
S'CC(CCC=C(CCC=C(CO)C)C)=CCCC(=CCO)C'
p16836
sS'CPD-18179'
p16837
S'CC(=CCCC(=CCOP(OP([O-])(=O)[O-])(=O)[O-])C)CCC=C(CO)C'
p16838
sS'CPD-18174'
p16839
S'CC1(OC=C(O)C(=O)C(O)1)'
p16840
sS'CPD-18175'
p16841
S'CC(C)CCCCCCCCCCCCCC([O-])=O'
p16842
sS'CPD-18176'
p16843
S'CC(CO)CCCCCCCCCCCCCC([O-])=O'
p16844
sS'CPD-18177'
p16845
S'CC(=CCCC(C)=CCO)CCC=C(C)CO'
p16846
sS'CPD-18465'
p16847
S'CC(C)=CC1(OC2(C(C)C1)(CCC4(C)([CH]2CC=C(C=O)[CH]3(C(=O)CC(O)(C)[CH]3C4))))'
p16848
sS'THIOCITRULLINE'
p16849
S'C(CNC(N)=S)CC(C(=O)O)N'
p16850
sS'CPD-18172'
p16851
S'CC(CCCC(C)CC(=O)[O-])CCCC(C)CCCC(C)CO'
p16852
sS'CPD-18173'
p16853
S'CCC1(=CC(OC)=C5(C(=C1)C(=O)OC4(=C(C=C(OC)C3(=C(C=CC(C2(OC(C(O)C([N+](C)C)C(O)2)C))=C34)O))5)))'
p16854
sS'CPD-4588'
p16855
S'COC2(C3(C(C1(C(OC)=CC4(O[CH]5(OCC[CH](C(C=1OC(C=CC=2)=3)=4)5))))=O))'
p16856
sS'ALPHAALPHA-TREHALOSE-66-BISMYCOLATE'
p16857
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC6(CC(CCCCCCCCCCC5(CC(CCCCCCCCCCCCCCCCCC)5))6))C(=O)O)O)O)O))'
p16858
sS'CPD0-1286'
p16859
S'CC(C(C(C(COP([O-])(=O)[O-])O)O)O)O'
p16860
sS'2-hydroxy-4-1H-quinolone'
p16861
S'C2(C=CC1(NC(O)=CC(=O)C=1C=2))'
p16862
sS'CPD0-1284'
p16863
S'CCCCCCCCC=CCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1(C(OC(CO)C(OP([O-])(=O)[O-])C(OC(=O)CC(O)CCCCCCC)1)OCC2(C(C(C(C(OP([O-])(=O)[O-])O2)NC(CC(CCCCCCCCCCC)O)=O)OC(CC(CCCCCCC)O)=O)O))'
p16864
sS'CPD0-1283'
p16865
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC2(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(CO)C2OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p16866
sS'CPD0-1280'
p16867
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1O)COC2(OC(CO)C(OP([O-])([O-])=O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)2))O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p16868
sS'CPD0-1281'
p16869
S'CCCCCCCCCCCCCCCC(=O)OC(CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O)))CCCCCCCCCCC'
p16870
sS'CPD0-1288'
p16871
S'C1(=NC2(=C(C=C1)C(S(=O)(=O)[O-])=CC=C(O)2))'
p16872
sS'WATER'
p16873
S'[OH2]'
p16874
sS'2-ACETAMIDOFLUORENE'
p16875
S'CC(=O)NC3(C=CC2(C1(C(=CC=CC=1)CC=2C=3)))'
p16876
sS'THIOCYSTEINE'
p16877
S'C(SS)C(C([O-])=O)[N+]'
p16878
sS'CPD-18606'
p16879
S'CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p16880
sS'THYMIDINE'
p16881
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p16882
sS'CPD0-2531'
p16883
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=CC1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p16884
sS'CPD0-2530'
p16885
S'C(ON(=O)=O)C(CON(=O)=O)(CON(=O)=O)CON(=O)=O'
p16886
sS'FORMYL-ISOGLUTAMINE'
p16887
S'C(=O)NC(C(N)=O)CCC([O-])=O'
p16888
sS'CODEINE'
p16889
S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(O)4)=CC=C(OC)5))))'
p16890
sS'CPD-14385'
p16891
S'CC(C=CC1(C(CC(C=C1C)=O)(C)C)O)=CC=O'
p16892
sS'CPD0-1138'
p16893
S'C2(C1(C(N)=NC=NC=1N(C=2)C3(C(C(C(COP(=O)([O-])[O-])O3)O)O)))'
p16894
sS'CPD0-1139'
p16895
S'C(C3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)O))OP([O-])(=O)[O-]'
p16896
sS'CPD-94'
p16897
S'COC1(=C(C=CC(=C1)CCCO)O)'
p16898
sS'CPD0-1137'
p16899
S'C1(N=C(N)C2(N=CN(C(N=1)=2)C3(C(O)C(O)C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(OCC6(OC(N4(C=NC5(=C4N=CN=C(N)5)))C(O)C(O)6))(=O)[O-])))'
p16900
sS'CPD-90'
p16901
S'C=C(C)C5(CCC4(C)(CCC3(C)([CH](CC[CH]2(C1([CH](C(C)(C)C(CC1)O)CCC(C)23)(C)))[CH]45)))'
p16902
sS'CPD0-1133'
p16903
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(OC(CO)2)OC3(C(O)C(O)C(OC(CO)3)OC7(C(O)C(O)C(OC6(C(O)C(O)C(OC4(C(O)C(O)C(OC(CO)4)OC5(C(O)C(O)C(O)OC(CO)5)))OC(CO)6))OC(CO)7))))'
p16904
sS'CPD-15036'
p16905
S'C(=O)C(OS([O-])(=O)=O)C(O)CC(=O)C(=O)[O-]'
p16906
sS'CPD-15034'
p16907
S'CC(C=CC=C(C=CC1(C(C)(C(O)CCC=1C)C))C)=CC=CC=C(C=CC=C(C=CC2(=C(CCC(O)C(C)2C)C))C)C'
p16908
sS'CPD-15035'
p16909
S'CC(=O)NC2(C(OC1(OC(C(=O)[O-])=CC(O)C(OS([O-])(=O)=O)1))C(O)C(CO)OC(O)2)'
p16910
sS'CPD-15032'
p16911
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)C(CC=1C)O)(C)C))C)C)C=CC=C(C=CC2(=C(CC(CC2(C)C)O)C))C'
p16912
sS'CPD-15033'
p16913
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)C(CC=1C)O)(C)C))C)C)C=CC=C(C=CC2(=C(CC(C(O)C2(C)C)O)C))C'
p16914
sS'CPD-15030'
p16915
S'CC1(CC[CH]2([CH]1C(O)OC=C(C)2))'
p16916
sS'SUCC-S-ALD'
p16917
S'C([CH]=O)CC(=O)[O-]'
p16918
sS'CPD-15039'
p16919
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p16920
sS'CPD-12285'
p16921
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])COC6(OC(COC2(CC(C(C(O2)C(CO)O)O)OC4(CC(OC3(CC(O)C(C(O3)C(CO)O)O)C(=O)[O-])C(C(O4)C(COC5(CC(O)C(C(O5)C(CO)O)O)C(=O)[O-])O)O)C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)6))O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p16922
sS'STREPTIDINE-6-PHOSPHATE'
p16923
S'C(NC1(C(C(C(C(C(O)1)O)OP([O-])([O-])=O)NC(N)=[N+])O))(N)=[N+]'
p16924
sS'POLYNEURIDINE-ALDEHYDE'
p16925
S'C[CH]=C5(CN1([CH]4(C[CH](C(C(=O)OC)(C=O)[CH]1CC3(=C(NC2(C(=CC=CC=2)3))4))5)))'
p16926
sS'CPD-661'
p16927
S'C#CC([O-])=O'
p16928
sS'TETRAHYD-CPD'
p16929
S'C2(C(=CC(=C1(C(O)=CC(O)=CC1=2))O)O)'
p16930
sS'CPD-6963'
p16931
S'C2(C=CC(CCC1(=CC(=CC(=C1)O)O))=CC=2)'
p16932
sS'SALICYLALDEHYDE'
p16933
S'C1(C=CC(O)=C(C=O)C=1)'
p16934
sS'CPD-14388'
p16935
S'CCCCCCCCC=CCCCCCCCC(=O)OCC'
p16936
sS'PHENYLHYDANTOIN'
p16937
S'C1(C=CC(=CC=1)C2(NC(=O)NC2=O))'
p16938
sS'CPD-18040'
p16939
S'CC3(C(=O)C4(C[CH]5(C2(N(C)C(CC1(C(=O)C(C)=C(OC)C(=O)C=12))C(O)N(C(CNC(=O)C([N+])C)C(C(=O)C(OC)=3)=4)5))))'
p16940
sS'CPD-7737'
p16941
S'C(CC1(OC(C=C1)=O)C([O-])=O)([O-])=O'
p16942
sS'CPD-15191'
p16943
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(O)=C(N)1)C(=O)[O-])'
p16944
sS'CPD-7734'
p16945
S'CCCCCCCCCCC1(N(=O)=C2(C(=C(O)C=1)C=CC=C2))'
p16946
sS'2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE'
p16947
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC2(=C(C(=O)C1(C=CC=CC=1C2=O))C)'
p16948
sS'CPD-7731'
p16949
S'CC(=CC(=O)[O-])C=CC1(O)(C(C)(C)CC(=O)C=C(C)1)'
p16950
sS'CPD-15190'
p16951
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC=C(N)1)C(=O)[O-])'
p16952
sS'HOMOGENTISATE'
p16953
S'C1(C(=CC(=C(C=1)O)CC([O-])=O)O)'
p16954
sS'ITACONIC-ANHYDRIDE'
p16955
S'C=C1(C(OC(C1)=O)=O)'
p16956
sS'CPD0-1055'
p16957
S'C(C3(C(C(C(N2(C=NC1(C(N=C(N)NC=12)=O)))O3)O)OP(=O)([O-])[O-]))OP(=O)([O-])OP(=O)([O-])[O-]'
p16958
sS'S-9-23-DIHYDROXYPROPYL-ADENI'
p16959
S'C(C(CN2(C=NC1(C(=NC=NC=1N)2)))O)O'
p16960
sS'CPD0-1054'
p16961
S'C(C3(C(C(C(N2(C=NC1(C(N)=NC=[N+]C=12)))O3)O)O))OP(=O)([O-])OP(NP(=O)([O-])[O-])(=O)[O-]'
p16962
sS'CPD-9608'
p16963
S'C1(=CC=C2(C(C([O-])=CC(C(=C1)2)=O)=O))'
p16964
sS'CPD-8391'
p16965
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p16966
sS'CPD-9357'
p16967
S'C1(N)(=NC(N)=NC(N)=C1)'
p16968
sS'CPD-8871'
p16969
S'C1(C=CC(=CC=1)F)'
p16970
sS'CPD-9355'
p16971
S'CCNC1(=NC(=NC(=N1)NCC)Cl)'
p16972
sS'12-HYDROXYDIHYDROCHELIRUBINE'
p16973
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(O)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p16974
sS'CPD-9603'
p16975
S'C(O)C1(OC(C(O)C(O)C(O)1)OC4(C(CO)OC(N2(C3(C(C(C2=O)CC(=O)NC(C(=O)[O-])CC([O-])=O)=CC=CC=3)))C(O)C(O)4))'
p16976
sS'CPD-9602'
p16977
S'C(C1(C(C(C(C(O1)N2(C(=O)C(CC(NC(CC(=O)[O-])C([O-])=O)=O)C3(C=CC=CC2=3)))O)O)O))O'
p16978
sS'CPD-15197'
p16979
S'CC5(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC4(C(C2(C=C(OC)C(=C(OC)C=2)O))=[O+]C3(C=C(C=C(C=3C=4)[O-])O))))C5)'
p16980
sS'CPD0-1050'
p16981
S'CCCCCCCCOC1(OC(C(C(C1O)O)O)CO)'
p16982
sS'CPD-13881'
p16983
S'CC(C)=CCCC1(C)(CC2(C)(C(C)(CC1)C4(C(C)(CC2)C35(OC(C(C)(C)[CH]3CC4)CC5))))'
p16984
sS'CPD-13880'
p16985
S'CC(=CCCC2(=C(C)CCC1(C)(CCC(C)(C)C[CH]12)))CCC3(C(=C)CCC(C(C)(C)3)O)'
p16986
sS'CPD-13883'
p16987
S'CC3(=C(CC[CH]2(C1(CCC(C([CH]1CC=C2C)(C)C)O)C))[CH]4(C(CC3)(CCC(C)(C)C4)C))'
p16988
sS'CPD-13882'
p16989
S'CC3(C(C)[CH]4(C(CC[CH]2(C1(CCC(C([CH]1CC=C2C)(C)C)O)C))=C(CCC(CC3)4C)C))'
p16990
sS'CPD-13885'
p16991
S'CC3(CC4(=C2(CC[CH]5(C1(CCC(C([CH]1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p16992
sS'CPD-13886'
p16993
S'CC1(C(O)C(NC(=O)C)C(O)C(O)O1)'
p16994
sS'3-HEXAPRENYL-4-HYDROXY-5-METHOXYBENZOATE'
p16995
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C'
p16996
sS'N-ACETYLINDOXYL'
p16997
S'CC(N1(C2(=C(C(O)=C1)C=CC=C2)))=O'
p16998
sS'XANTHOSINE-5-PHOSPHATE'
p16999
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p17000
sS'L-RHAMNONATE'
p17001
S'CC(O)C(O)C(O)C(O)C([O-])=O'
p17002
sS'CPD-258'
p17003
S'C1(C=CC(=C(C=1)[N+](=O)[O-])[O-])'
p17004
sS'CPD-259'
p17005
S'C1(=CC(=CC=C1N)O)'
p17006
sS'CPD-256'
p17007
S'C(C1(=C(Cl)C=CC=C1))([O-])=O'
p17008
sS'CPD-257'
p17009
S'C([O-])(=O)C1(C=CC(=CC=1)S([O-])(=O)=O)'
p17010
sS'CPD-254'
p17011
S'C1(NC(NC(C=1CO)=O)=O)'
p17012
sS'CPD-255'
p17013
S'CC(O)C(=O)C'
p17014
sS'CPD-252'
p17015
S'C(=O)C(CC([N+])C(=O)[O-])=CC=C(C(=O)[O-])O'
p17016
sS'CPD-253'
p17017
S'C(=O)C=C(CC([N+])C(=O)[O-])C=C(C([O-])=O)O'
p17018
sS'CPD-251'
p17019
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C([O-])=O)(C)CC(=O)C=C([CH](CC2)3)4))C([O-])=O)))'
p17020
sS'3-METHYLOXINDOLE'
p17021
S'CC2(C1(C=CC=CC=1NC2=O))'
p17022
sS'NITROGEN-MOLECULE'
p17023
S'N#N'
p17024
sS'CPD-6061'
p17025
S'C1(N(C(NC(C=1F)=O)=O)C2(OC(C(C2)O)COP([O-])(=O)[O-]))'
p17026
sS'F-'
p17027
S'[F-]'
p17028
sS'CPD-17508'
p17029
S'CC(C(NC(CC2(CCC(=O)C1(OC12)))C([O-])=O)=O)[N+]'
p17030
sS'CPD-17509'
p17031
S'C(C([N+])CC2(CCC(=O)C1(OC12)))([O-])=O'
p17032
sS'CPD-17500'
p17033
S'CC1(C=CC=CCCC=CC=CC=CC=CC(C[CH]2(C(C)C(CC(CC(CCCC(CC(CC(CC(=O)OC(C)C(C)C1O)O)O)O)O)(O)O2)O))O)'
p17034
sS'CPD-17501'
p17035
S'COC1(=CC(=C(C=C1)C2(CC3(=CC=C(C=C(OC2)3)O)))O)'
p17036
sS'CPD-17502'
p17037
S'C1(C=C(C=C2(OCC(CC=12)C4(C=C3(C(OCO3)=CC=4O))))O)'
p17038
sS'CPD-17503'
p17039
S'COC1(=CC(=C(C=C1)C2(CC3(O)(CCC(C=C(OC2)3)=O)))O)'
p17040
sS'CPD-17504'
p17041
S'C1(C(C=C2(OCC(CC(O)(C1)2)C4(C=C3(C(OCO3)=CC=4O))))=O)'
p17042
sS'CPD-17506'
p17043
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C(O)C3)))'
p17044
sS'CPD-3721'
p17045
S'C(C[N+])SP(=O)([O-])[O-]'
p17046
sS'CPD-3722'
p17047
S'C(OP([O-])([O-])=O)C([N+])C([O-])=O'
p17048
sS'CPD-3723'
p17049
S'C1(=CN(C(=O)NC(=O)1)C2(OC(CO)C(O)C(OP(=O)([O-])[O-])2))'
p17050
sS'CPD-3724'
p17051
S'C1(=CN(C(=O)NC(=O)1)C2(OC(CO)C(OP(=O)([O-])[O-])C(O)2))'
p17052
sS'CPD-3725'
p17053
S'C1(=CN(C(=O)NC(=O)1)C3(OC(CO)C2(OP(=O)([O-])OC23)))'
p17054
sS'CPD-8006'
p17055
S'C(C4(OC(OC1(=CC2(OC(=C(C(C(C(=C1)O)=2)=O)[O-])C3(C=C(C(=CC=3)O)O))))C(C(C4O)O)O))O'
p17056
sS'CPD-8007'
p17057
S'C(C4(OC(OC1(C=C2(OC(=C(C(C(=C(C=1)O)2)=O)[O-])C3(C=CC(=CC=3)O))))C(C(C4O)O)O))O'
p17058
sS'CPD-3728'
p17059
S'C(C(CC1(C=CC(OP([O-])([O-])=O)=CC=1))[N+])(=O)[O-]'
p17060
sS'CPD-8009'
p17061
S'C(O)C5(C(O)C(O)C(O)C(OC1(C=C(C=C2(OC(=C(C(C=12)=O)OC3(OC(C(C(C3O)O)O)CO))C4(C=C(C(=CC=4)O)O)))O))O5)'
p17062
sS'CPD-13476'
p17063
S'CC(C)=CCCC1(C)(C(=C)C2(CC1CC2))'
p17064
sS'CPD-18549'
p17065
S'CC(C)C1(C(=O)OCC(C(NC(C)C(N(C)C(CS)C(N(C)C(C(=O)OCC(C(NC(C)C(N(C)C(CS)C(N(C)1)=O)=O)=O)NC(C3(C=NC2(=CC=CC=C2N=3)))=O)C(C)C)=O)=O)=O)NC(C5(C=NC4(=CC=CC=C4N=5)))=O)'
p17066
sS'DAIDZEIN'
p17067
S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p17068
sS'HG0'
p17069
S'[Hg]'
p17070
sS'CPD-11656'
p17071
S'CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(C=C(OC)C1=O)=O))C'
p17072
sS'CPD-11657'
p17073
S'C([R1])C1(C2(OP(=O)(O)OCC5(C(OP(=O)(O)O[R2])CC(N4(C(=O)N=C(C3(C(O)([R])C(=O)NC(=O)N(C(O1)C2)3))C([R3])=C4))O5)))'
p17074
sS'CPD-11654'
p17075
S'CC23(CC1(=CN(C(=O)NC(=O)1)C5(OC(COP(OC4(CC(N(C2)C(=O)NC(=O)3)OC(CO[R1])4))([O-])=O)C(O[R2])C5)))'
p17076
sS'CPD-11655'
p17077
S'CC(C)=CCCC(=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCC1(=CC(=O)C=C(OC)C(=O)1))C)C'
p17078
sS'CPD-11652'
p17079
S'CC(C)CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17080
sS'CPD-11653'
p17081
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)OP([O-])(=O)OCC[N+])C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p17082
sS'CPD-11650'
p17083
S'C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p17084
sS'OXOMALONATE'
p17085
S'C(C(=O)C([O-])=O)([O-])=O'
p17086
sS'3-KETO-ADIPYL-COA'
p17087
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17088
sS'CPD-11659'
p17089
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=CC(=O)C=C(OC)C1=O))C)C)C)C)C)C)C)C)C)C'
p17090
sS'CPD-18548'
p17091
S'CC(C([N+])C(NC([CH]2(OC(N1(C(=O)NC(=O)C=C1))C(O)C(O)2))C([O-])=O)=O)C(O)C3(C=CC(O)=CN=3)'
p17092
sS'CPD-18245'
p17093
S'CC6(OC5(C(=C(O)C4(C(=O)C(C3(C(=O)C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC=2C(=O)C(OC)=3))))=C(OC)C(=O)C=4C=5))C(=O)C=6))'
p17094
sS'CPD-17769'
p17095
S'C4(=C(O)C(O)=C3(OC(=O)C2(C=C(O)C(O)=C1(OC(C(=C(C1=2)3)4)=O))))'
p17096
sS'CPD-17764'
p17097
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OCC(O)COP([O-])(=O)[O-])([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p17098
sS'CPD-17766'
p17099
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OCC(O)CO)([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p17100
sS'CPD-17760'
p17101
S'C6(=CC(N)=NC(=O)N(C1(OC(C(C1O)O)COP([O-])(=O)OP([O-])(=O)OCC3(O[CH]2(NC5(N=C(NC(=O)C(N[CH]2C4(=C3S[Mo]([Se-])([O-])(=O)S4))=5)N)))))6)'
p17102
sS'CPD-17761'
p17103
S'CCCCCCCCCCC1(=CC(=O)C(C)=C(C)C(=O)1)'
p17104
sS'CPD-17762'
p17105
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p17106
sS'CPD-17763'
p17107
S'CC1(CCCC(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCOC(CO)COCCC(C)CCCC(C)CCC1)C)'
p17108
sS'CPD-5601'
p17109
S'C[N+]CCO'
p17110
sS'CPD-5602'
p17111
S'C[N+](C)CCO'
p17112
sS'NARINGENIN-7-O-BETA-D-GLUCOSIDE'
p17113
S'C1(=CC(O)=CC=C1C2(CC(=O)C3(C(O)=CC(=CC(O2)=3)OC4(OC(CO)C(O)C(O)C(O)4))))'
p17114
sS'AMP-LYSINE'
p17115
S'CC(=O)NC(CCCC[N+])C(=O)OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(=CNC2(=C(N)N=CN=C23)))'
p17116
sS'CPD-667'
p17117
S'CC(OCCC(C([O-])=O)[N+])=O'
p17118
sS'K-HEXANOYL-COA'
p17119
S'CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)=O'
p17120
sS'CPD-3605'
p17121
S'C(OC1(OC(CO)C(O)C(O)C(O)1))C2(OC(O)C(O)C(O)C(O)2)'
p17122
sS'16-HYDROXYPALMITATE'
p17123
S'C(CCCCCCCCCCCCCCC([O-])=O)O'
p17124
sS'ETHANOL-AMINE'
p17125
S'C(CO)[N+]'
p17126
sS'DUMP'
p17127
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p17128
sS'CPD-18413'
p17129
S'CC2(CCC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17130
sS'CPD-18412'
p17131
S'CC2(CCC1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17132
sS'CPD-18411'
p17133
S'CC2(CCC1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17134
sS'CPD-18410'
p17135
S'CC2(CCC1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17136
sS'CPD-18417'
p17137
S'CC2(C(O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17138
sS'CPD-18416'
p17139
S'CC(C)CC(=O)OC2(CC1(COC(=O)C)(C4(C(OC(C)=O)C(O)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p17140
sS'CPD-18415'
p17141
S'CC(C)CC(=O)OC2(CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p17142
sS'CPD-11909'
p17143
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C([N+])C2))O3))'
p17144
sS'CPD-11906'
p17145
S'CC1(OC(CC([N+])C(O)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NCC=3C5(C4(C=CC=CC=4NC=5C=67)))))))'
p17146
sS'CPD-18419'
p17147
S'CC2(C(=O)C(O)C1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p17148
sS'CPD-12302'
p17149
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)CCC(=O)NC(CCCCNC(CC([N+])C([O-])=O)=O)C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p17150
sS'CPD-12305'
p17151
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p17152
sS'CPD-12304'
p17153
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p17154
sS'CPD-11900'
p17155
S'CC3(=CN(C2(OC(COP(OP(OC1(CC(CO)(O)C(O1)C))([O-])=O)([O-])=O)C(C2)O))C(NC(=O)3)=O)'
p17156
sS'CPD-12306'
p17157
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(=O)CC([N+])C([O-])=O)C(NC(C)C(=O)[O-])=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p17158
sS'CPD-12903'
p17159
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC3(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p17160
sS'CPD-12902'
p17161
S'CC(C)=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17162
sS'CPD-12901'
p17163
S'CC(C)=CCCC(C)=CCCC(C)=O'
p17164
sS'PROPIONAMIDE'
p17165
S'CCC(N)=O'
p17166
sS'CPD-12907'
p17167
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(CO)C(O)CCC(C)1[CH]2CCC(C)34))))'
p17168
sS'CPD-12906'
p17169
S'CC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17170
sS'CPD-15625'
p17171
S'C(C1(C(O)C(O)C(O)C(O)O1))O'
p17172
sS'CPD-12904'
p17173
S'CC(C)=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17174
sS'PYRROLINE-HYDROXY-CARBOXYLATE'
p17175
S'C1(=NC(C([O-])=O)CC(O)1)'
p17176
sS'CPD-12908'
p17177
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C([CH]=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p17178
sS'CPD-10239'
p17179
S'CC2(C=CC=C(C)C(=O)NC1(=CC(=O)C4(=C(C(=O)1)C(O)=C(C)C3(OC(OC=CC(O)C(C)C(C(C)C(O)C(C)C(O)2)O)(C)C(=O)C=34))))'
p17180
sS'CPD-10238'
p17181
S'CC2(C=CC=C(C)C(=O)NC1(C=C(O)C4(=C(C(O)=1)C([O-])=C(C)C3(OC(OC=CC(O)C(C)C(C(C)C(O)C(C)C(O)2)O)(C)C(=O)C=34))))'
p17182
sS'CPD-10237'
p17183
S'CC2(C=CC=C(C)C(=O)NC1(C=C(O)C4(=C(C(O)=1)C([O-])=C(C)C3(OC(OC=CC(O)C(C)C(C(C)C(O)C(C)C(O)2)OC(=O)C)(C)C(=O)C=34))))'
p17184
sS'S-ALLANTOIN'
p17185
S'C1(NC(N)=O)(NC(=O)NC(=O)1)'
p17186
sS'CPD-10231'
p17187
S'C(=O)([O-])C1(C=C(O)C=C(N)C=1)'
p17188
sS'CPD-10230'
p17189
S'C([O-])(=O)C1(CC([N+])C(O)C(=O)C=1)'
p17190
sS'3-CYANOPYRIDINE'
p17191
S'C(C1(=CN=CC=C1))#N'
p17192
sS'CPD-12508'
p17193
S'C1(OC2(C(O1)=CC(=CC(O)=2)C3(C(=O)C4(=C(OC=3)C=C(C=C4)O))))'
p17194
sS'CPD-12970'
p17195
S'C(C(=O)P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p17196
sS'CPD-12507'
p17197
S'CN1(C2(=C(NC(=O)1)C(=O)N(C)C(OC)=N2))'
p17198
sS'CPD-12971'
p17199
S'C(C([N+])P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p17200
sS'CPD-12976'
p17201
S'CCCCC(=O)CC(=O)C'
p17202
sS'CPD-15225'
p17203
S'C1(C7(C(OP([O-])(=O)OCC4(C(OP([O-])(=O)O1)C(O)C(N3(C2(N=CN=C(N)C=2N=C3)))O4))C(O)C(N6(C5(N=CN=C(N)C=5N=C6)))O7))'
p17204
sS'CPD-15657'
p17205
S'CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17206
sS'CPD-15487'
p17207
S'C(#N)[Fe----](C#N)(C#N)(C#N)(C#N)C#N'
p17208
sS'CPD-15486'
p17209
S'COC2(=CC(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p17210
sS'CPD-15957'
p17211
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)O)CO)'
p17212
sS'CPD-15484'
p17213
S'COC2(C=CC3(C(=O)C=C(C1(C=CC=CC=1))OC(C(O)=2)=3))'
p17214
sS'CPD-15483'
p17215
S'COC1(=C(O)C=CC(=C1)C2(=CC(=O)C3(C(O2)=CC(=C(OC)C(O)=3)OC)))'
p17216
sS'CPD-15482'
p17217
S'COC2(C(O)=C3(C(=O)C=C(C1(C=CC(O)=C(O)C=1))OC(=CC=2OC)3))'
p17218
sS'CPD-15481'
p17219
S'COC2(=C(O)C=CC3(C(=O)C=C(C1(C=CC(O)=CC=1))OC2=3))'
p17220
sS'CPD-17961'
p17221
S'CON4(C5(C(C(CC2(NC(=O)C(CCCCCC(=O)[O-])NC(=O)C1(N(CCC1)C(C(NC2=O)CC3(C=CC=CC=3))=O)))=C4)=CC=CC=5))'
p17222
sS'CPD-15344'
p17223
S'CC(C(=O)C([O-])=O)C1(C=CC=CC=1)'
p17224
sS'1-CHLORO-24-DINITROBENZENE'
p17225
S'C1(C=C(Cl)C(=CC=1[N+]([O-])=O)[N+]([O-])=O)'
p17226
sS'CPD-15655'
p17227
S'CCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17228
sS'CPD-15959'
p17229
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC4(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(OC3(OC(CO)C(O)C(O)C(O)3))4))COC5(OC(C(O)C(OC)C(OC)5)C))'
p17230
sS'CPD-15958'
p17231
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CCO)C(C(C)C(O)CC(=O)O1)OC3(OC(C)C(OC2(OC(C(O)C(O)(C)C2)C))C([N+](C)C)C(O)3))COC4(OC(C(O)C(OC)C(OC)4)C))'
p17232
sS'CPD-15489'
p17233
S'C1(=CCOC=C1)'
p17234
sS'CPD-12502'
p17235
S'C(=O)([O-])C(O)=CC=CC(=O)C1(=C(N)C=CC=C1)'
p17236
sS'CPD-7122'
p17237
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)OC)OC))C'
p17238
sS'CPD-7123'
p17239
S'CC(=CCCC(=CCC1(C(=CC(O)=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)[O-]))C)C'
p17240
sS'CPD-7120'
p17241
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)O)[O-]))C'
p17242
sS'CPD-7121'
p17243
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)O)OC))C'
p17244
sS'CPD-7126'
p17245
S'COC1(=CC(=C(C(=C1)O)C(C=CC2(C=CC(=CC=2)O))=O)OC)'
p17246
sS'CPD-7127'
p17247
S'CC1(OC2(=CC(=C(C(=C(CC1O)2)O)C(C=CC3(C=CC(=CC=3)O))=O)OC))C'
p17248
sS'CPD-7124'
p17249
S'CC(=CCC1(C(=C(C(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)O)CC=C(C)C)[O-]))C'
p17250
sS'CPD-14250'
p17251
S'C=CCCCCCC=CCC=CCCCCC'
p17252
sS'CPD-7128'
p17253
S'CC1(OC2(=CC(=C(C(=C(C=C1)2)O)C(C=CC3(C=CC(=CC=3)O))=O)OC))C'
p17254
sS'CPD-7129'
p17255
S'C=C(C(CC1(=C(C(=C(C=C1O)OC)C(C=CC2(C=CC(=CC=2)O))=O)O))O)C'
p17256
sS'CPD-18280'
p17257
S'CC1(C=CC(=C(C)C=1)O)'
p17258
sS'CPD-14689'
p17259
S'CCC1(C(C)(C(C(C)C(C(C)CC(C)(C(C(C)C(C(C)C(=O)O1)OC2(CC(C)(C(C(C)O2)OC(=O)C)O))OC3(C(C(CC(C)O3)[N+](C)C)O))OC4(CC(C(C(C)O4)O)[N+](C)C))=O)O)O)'
p17260
sS'UDP-ACETYL-ETCETERA-BISSULFATE'
p17261
S'CC(=O)NC3(C(O)C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))3)'
p17262
sS'CPD-15345'
p17263
S'CC(C([N+])C([O-])=O)C1(C=CC=CC=1)'
p17264
sS'CPD-14682'
p17265
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C([N+](C)C)C3)))'
p17266
sS'CPD-18286'
p17267
S'C=C(C(O)CO)C(=O)OCC1(C(O)C(O)C(O)C(O)O1)'
p17268
sS'CPD-14680'
p17269
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C([N+]C)C3)))'
p17270
sS'CPD-14687'
p17271
S'CCCCCC(=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17272
sS'CPD-14706'
p17273
S'CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]'
p17274
sS'CPD-7125'
p17275
S'CC(=CCC1(C(=C(C(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)OC)CC=C(C)C)[O-]))C'
p17276
sS'CPD-14705'
p17277
S'CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O'
p17278
sS'L-IDONATE'
p17279
S'C(O)C(O)C(O)C(O)C(O)C(=O)[O-]'
p17280
sS'CPD-14256'
p17281
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC2(OC(C)C(NC(=O)C)C(OC1(C(NC(C)=O)C(O)C(O)C(CO)O1))C(NC(=O)C)2))([O-])=O)C)C)C)C)C)C)C'
p17282
sS'O-UREIDOHOMOSERINE'
p17283
S'C(CC(C(=O)[O-])[N+])ONC(N)=O'
p17284
sS'P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE'
p17285
S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C(N)=C(C(=O)NC(C([O-])=O)CC([O-])=O)N=C1))O2)'
p17286
sS'CPD-12022'
p17287
S'CC(=O)NCCC(=O)C1(C=C(OC)C=CC(NC=O)=1)'
p17288
sS'CPD-17358'
p17289
S'CC(C)=CCC1(C(O)=CC=C2(C=1NC3(C(C)(C)[CH]6(CC45(C(=O)NC(CC2=3)(C(N(CCC4)5)=O)6)))))'
p17290
sS'N-SUCCINYLLL-2-6-DIAMINOPIMELATE'
p17291
S'C(CC([N+])C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p17292
sS'CPD-17275'
p17293
S'CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p17294
sS'SUCCINYL-OH-CYCLOHEXADIENE-COOH'
p17295
S'C1(C=C(C(=O)CCC(=O)[O-])C(C(=O)[O-])C(O)C=1)'
p17296
sS'CPD-14530'
p17297
S'CCCCCCCCCCCC[N+](C)(C)C'
p17298
sS'CPD-10695'
p17299
S'C#CCNCCCCNCC#C'
p17300
sS'CPD-14532'
p17301
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC[N+](C)C'
p17302
sS'CPD-14533'
p17303
S'CCC(C)C(=O)C12(C(CCC=C(C)C)(C)C(CC=C(C)C)CC(CC=C(C)C)(C(=O)1)C([O-])=C(CC=C(C)C)C2=O)'
p17304
sS'CPD-14534'
p17305
S'C(C(=O)N)O'
p17306
sS'CPD-14535'
p17307
S'Cl[Hg]Cl'
p17308
sS'CPD-14536'
p17309
S'CC3(C(Cl)=C(O)C2(C(C1(C(OC)=CC(=O)C=C(C(OC)=O)1)OC=2C(Cl)=3)=O))'
p17310
sS'CPD-14537'
p17311
S'CC2(C(Cl)=C([O-])C(C(C1(=C(OC)C=C(O)C=C(C(OC)=O)1))=O)=C([O-])C(Cl)=2)'
p17312
sS'CPD-14538'
p17313
S'CC2(C=C(OC1(=C(C(OC)=O)C=C(O)C=C(OC)1))C(C([O-])=O)=C(O)C=2)'
p17314
sS'CPD-11019'
p17315
S'C(C(C=CC(=O)C(=O)[O-])Cl)(=O)[O-]'
p17316
sS'CPD-17885'
p17317
S'CC(=O)C4(N(C(C(=O)O)CC2(O)(C3(=C(N1(C(=O)C(C)(C)NC12))C=CC=C3)))C(=O)C5(=CC=CC=C(N=4)5))'
p17318
sS'CPD-17884'
p17319
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC5(O)(C6(C(N4(C(NC(C)(C)C(=O)4)5))=CC=CC=6)))'
p17320
sS'CPD-17887'
p17321
S'CC(=O)C5(N(C1(CC3(OC(=O)1)(C4(=C(N2(C(=O)C(C)(C)N(O)C23))C=CC=C4))))C(=O)C6(C=CC=CC(N=5)=6))'
p17322
sS'CPD-17886'
p17323
S'CC(=O)C5(N(C1(CC3(OC(=O)1)(C4(=C(N2(C(=O)C(C)(C)NC23))C=CC=C4))))C(=O)C6(C=CC=CC(N=5)=6))'
p17324
sS'CPD-7087'
p17325
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p17326
sS'CPD-17880'
p17327
S'CC([N+])(C([O-])=O)C'
p17328
sS'L-1-LECITHIN'
p17329
S'CCCCCCCCCCCCCCCCCC(OCC(OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O)=O'
p17330
sS'CPD-17889'
p17331
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC4(OC(C(=O)[O-])C(O)C(OC3(OC(C(=O)[O-])C(O)C(OC2(OC(C(=O)OC)C(O)C(O)C(O)2))C(O)3))C(O)4))O))[O-])C'
p17332
sS'CPD-17888'
p17333
S'CC(O)C5(N(C1(CC3(OC(=O)1)(C4(=C(N2(C(=O)C(C)(C)N(O)C23))C=CC=C4))))C(=O)C6(C=CC=CC(N=5)=6))'
p17334
sS'PHOSPHOPANTOTHEINE-GROUP'
p17335
S'CC(C(O)C(=O)NCCC(NCCS)=O)(C)COP([O-])(=O)[O-]'
p17336
sS'ISOBUTANOATE-P'
p17337
S'CC(C(=O)OP([O-])([O-])=O)C'
p17338
sS'PHOTINUS-LUCIFERIN'
p17339
S'C1(SC(=NC1C(=O)[O-])C2(=NC3(=CC=C(O)C=C(S2)3)))'
p17340
sS'HOMOMETHIONINE'
p17341
S'CSCCCC(C([O-])=O)[N+]'
p17342
sS'CPD-19108'
p17343
S'C(C1(C=CCC2(=C1NC3(C=CC=CC(N2)=3))))(=O)[O-]'
p17344
sS'CPD-19109'
p17345
S'C1(=CC2(NC3(C=CC=CC(NC(C=C1)=2)=3)))'
p17346
sS'CPD-19106'
p17347
S'C(C1(=CC=CC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p17348
sS'CPD-19104'
p17349
S'C(C1(=CC=CC2([CH]1NC3(C=CC=C(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p17350
sS'CPD-19105'
p17351
S'C(C1(C=CCC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p17352
sS'CPD-19102'
p17353
S'C(C1(C=CCC2([CH]1NC3(O)(CC=CC(C([O-])=O)C(N=2)3))))(=O)[O-]'
p17354
sS'CPD-19103'
p17355
S'C([O-])(=O)C1(C2(N=C3(CC=CC([CH](NC(C=CC=1)=2)3)C(=O)[O-])))'
p17356
sS'CPD-19101'
p17357
S'C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C(O)3)O)'
p17358
sS'CPD-8830'
p17359
S'C5([N+](C4(C(C(C(COP(OP(OCC3(OC(N2(C1(NC(=[N+]C(C=1N=C2)=O)N)))C(C3O)O))(=O)[O-])(=O)[O-])O4)O)O))=CC=CC=5C(N)=O)'
p17360
sS'CPD-8833'
p17361
S'CC1(=CC(C2(CC1C2(C)C))O)'
p17362
sS'IODOETHANE'
p17363
S'CCI'
p17364
sS'CPD-8837'
p17365
S'CC(CC(CC(C1(CC=C(CC1)C(OC)=O))C)=O)C'
p17366
sS'CPD-8836'
p17367
S'CC(CC(CC(C1(CC=C(CC1)C([O-])=O))C)=O)C'
p17368
sS'CPD-8838'
p17369
S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)OC)C'
p17370
sS'DIHYDRO-NEO-PTERIN'
p17371
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2))'
p17372
sS'SELENALYSINE'
p17373
S'C(C[N+])[Se]CC([N+])C(O)O'
p17374
sS'XANTHATE'
p17375
S'CCOC(=S)[S-]'
p17376
sS'D-GALACTONO-1-4-LACTONE'
p17377
S'C(O)C(O)[CH]1(C(O)C(O)C(=O)O1)'
p17378
sS'CPD-11481'
p17379
S'C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCCNC(C1(C=CC(O)=C(O)C=1))=O)CC[N+]'
p17380
sS'CPD-11480'
p17381
S'C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCC[N+])CC[N+]'
p17382
sS'DIHYDROTHYMIDINE'
p17383
S'CC2(CN(C1(OC(C(O)C1)CO))C(NC(=O)2)=O)'
p17384
sS'CPD-6421'
p17385
S'COC(C=CC1(C=CC=CC=1))=O'
p17386
sS'CPD0-1760'
p17387
S'CCCCCCCC(=O)OCC(OC(CCCCCCC)=O)CCO'
p17388
sS'CPD-12649'
p17389
S'CCC=CCC=CCC=CCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17390
sS'5-METHYLTHIOFORMYCIN'
p17391
S'CSCC1(OC(C(O)C(O)1)C3(=NNC2(=C(N)N=CN=C23)))'
p17392
sS'CPD-9232'
p17393
S'CC(=O)OCC1(CSC2(C(C(N(C(C(=O)[O-])=1)2)=O)NC(C(C3(=CSC(N)=N3))=NOC)=O))'
p17394
sS'DIMETHYL-D-RIBITYL-LUMAZINE'
p17395
S'CC2(=C(C)N(CC(O)C(O)C(O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2))'
p17396
sS'CPD-402'
p17397
S'CNC1(=CC=CC=C1C([O-])=O)'
p17398
sS'CPD-401'
p17399
S'CN1(C=NC=C1CC(NC(CC[N+])=O)C([O-])=O)'
p17400
sS'CPD-400'
p17401
S'COC1(C=CC=CC=1O)'
p17402
sS'CPD-407'
p17403
S'CC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]'
p17404
sS'CPD-406'
p17405
S'C[N+]CCOP([O-])([O-])=O'
p17406
sS'CPD-404'
p17407
S'C[N+]C(C(=O)[O-])CCC([O-])=O'
p17408
sS'CPD-408'
p17409
S'C(=O)([O-])C([N+])CC(NO)=O'
p17410
sS'CPD-9588'
p17411
S'CC2(C(C(C(OC1(C(C(C(C(C)O1)O)O)O))C(O2)C3(=C(C=C4(C(=C3O)C(=O)C=C(O4)C5(C=C(C(=CC=5)O)O)))[O-]))O)=O)'
p17412
sS'CPD-8745'
p17413
S'CC(C1(CCC(=CCCC(=CC=1)C)C))C'
p17414
sS'CPD-16969'
p17415
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(O)(C5(C(NC(O)4)=CC=CC=5)))'
p17416
sS'CPD-13950'
p17417
S'CC(C)CC(=O)OC1(C(C)OC(CC(C)1O)OC2(C(C)OC(C(C2N(C)C)O)OC3(C(C(CC(=O)OC(C)CC4(C(C=CC(C(C)CC(CC=O)3)=O)O4))OC(C)=O)OC)))'
p17418
sS'CPD-16598'
p17419
S'CC%10(C)([CH]6(CCC4(C)([CH](CC5(OC3(C(C)(CC(O)C2(C)([CH](CC(C=O)(C)C(OC(=O)C1(C=CC=CC=1))C2)3))4)5))C(C)6CCC(OC9(OCC(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(CO)C(O)C(O)C(O)8))9))%10)))'
p17420
sS'GLUCOSAMINATE'
p17421
S'C([O-])(=O)C([N+])C(O)C(O)C(O)CO'
p17422
sS'CPD0-1467'
p17423
S'C([O-])(=O)C1(=CC=CC([N+])C1)'
p17424
sS'CPD-16594'
p17425
S'CC%11(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C%10(C(C=3)=C([O-])C=C(OC9(OC(COC(=O)C8(C=CC(OC7(OC(COC(=O)C6(C=CC(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))=CC=6))C(O)C(O)C(O)7))=CC=8))C(O)C(O)C(O)9))C=%10))))O%11)'
p17426
sS'CPD-16595'
p17427
S'C(OC(=O)C=CC3(C=CC(OC2(OC(COC(=O)C=CC1(C=CC(O)=C(O)C=1))C(O)C(O)C(O)2))=C(O)C=3))C%10(C(O)C(O)C(O)C(OC9(=CC([O-])=C8(C=C(OC4(C(O)C(O)C(O)C(COC(=O)CC(=O)[O-])O4))C(C7(C=C(OC6(C(O)C(O)C(O)C(COC(=O)C=CC5(C=CC(O)=C(O)C=5))O6))C(O)=C(O)C=7))=[O+]C8=C9)))O%10)'
p17428
sS'OLEANDOMYCIN-2-O-PHOSPHATE'
p17429
S'CC4(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(OC2(CC(OC)C(O)C(C)O2))C(C)C(OC3(OC(C)CC(C(OP(=O)([O-])[O-])3)[N+](C)C))4)'
p17430
sS'CPD-16597'
p17431
S'CC%10(C)([CH]6(CCC4(C)([CH](CC5(OC3(C(C)(CC(O)C2(C)([CH](CC(C=O)(C)C(OC(=O)C1(C(NC)=CC=CC=1))C2)3))4)5))C(C)6CCC(OC9(OCC(OC7(OC(CO)C(O)C(O)C(O)7))C(O)C(OC8(OC(CO)C(O)C(O)C(O)8))9))%10)))'
p17432
sS'CPD-16590'
p17433
S'C(S)CCCC([O-])=O'
p17434
sS'CPD0-1464'
p17435
S'CC1(C(C(=C(OC)C(=O)C=1)OC)=O)'
p17436
sS'CPD-16592'
p17437
S'CC(S)CC([O-])=O'
p17438
sS'CPD-16593'
p17439
S'C(CCC(=O)S)([O-])=O'
p17440
sS'CPD0-1422'
p17441
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(CCCCCCCCCCCCCCC)=O'
p17442
sS'CPD0-1423'
p17443
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(CCCCCCCCCCCCCCCCC)=O'
p17444
sS'CPD0-1936'
p17445
S'C(O)C1(C(O)CC(O)C(O)O1)'
p17446
sS'CPD0-1937'
p17447
S'COC(C(O)C(O)C[OH])C(O)[CH]=O'
p17448
sS'CPD0-1930'
p17449
S'CC1(C(=O)N(C)C(=O)NC=1)'
p17450
sS'6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA'
p17451
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=CCCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p17452
sS'CPD0-1424'
p17453
S'CCCCCCCCCC=CCCCCCCC(=O)OCC(OC(CCCCCCC=CCCCCCCCCC)=O)COP([O-])(=O)[O-]'
p17454
sS'CPD0-1425'
p17455
S'CCCCCCCCCCCCCC(=O)OCC(OC(CCCCCCCCCCCCC)=O)COP([O-])(=O)[O-]'
p17456
sS'CPD-12684'
p17457
S'C([O-])(=O)C([N+])C[CH]1(CCCC=C1)'
p17458
sS'CPD-12685'
p17459
S'CCC2(C(NC3(C(O)[CH]1(C=CCCC1))(C(=O)OC23C))=O)'
p17460
sS'CPD0-1428'
p17461
S'C(O)C([N+])CC1(C=CC=CC=1)'
p17462
sS'44-DIMETHYL-824-CHOLESTADIENOL'
p17463
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)(C)C(O)CCC(C)1C=2CCC(C)34))))'
p17464
sS'CPD-12680'
p17465
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCl)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17466
sS'CPD-12681'
p17467
S'C([O-])(=O)C(=O)CC1(C(=O)[O-])(CCC(O)C=C1)'
p17468
sS'CPD-12682'
p17469
S'C([O-])(=O)C(=O)CC1(CCC=CC=1)'
p17470
sS'CPD-12683'
p17471
S'C([O-])(=O)C(=O)C[CH]1(CCCC=C1)'
p17472
sS'CPD-8769'
p17473
S'CC(C1(CCC(C=C1)=C))C'
p17474
sS'CPD-15743'
p17475
S'CCCCCCCC(=O)CC([O-])=O'
p17476
sS'CPD-10829'
p17477
S'C1(=CC=NC(=C1)CCN)'
p17478
sS'CPD-8761'
p17479
S'CC1(C3(C(C2(CCC(C(CCC1)2C)3)C)O))C'
p17480
sS'CPD-10823'
p17481
S'CC1(CC([O-])=O)(C=CC(=O)O1)'
p17482
sS'CPD-8763'
p17483
S'CC(C1(C4(C2(CC3(C(C(CC1)2C)(C)C34)))))C'
p17484
sS'CPD-8762'
p17485
S'CC1(C3(C2(C(CCCC(C(CC=1)2)3C)(C)C)))'
p17486
sS'CPD-8765'
p17487
S'CC2(=CCC1(C(C)(C)C1C2))'
p17488
sS'CPD-10824'
p17489
S'CC1(=CC(=O)OC(CC(=O)[O-])1)'
p17490
sS'CPD-8766'
p17491
S'C1(=NC2(C=CC=CC(S1)=2))S'
p17492
sS'KDO-8P'
p17493
S'C(OP([O-])(=O)[O-])C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p17494
sS'131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M'
p17495
S'C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(C(=O)CC(=O)OC)C(N56)=C7))))8))))'
p17496
sS'5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE'
p17497
S'C(NC=O)C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p17498
sS'4-NITROANILINE'
p17499
S'C1(=C(C=CC(=C1)[N+]([O-])=O)[N+])'
p17500
sS'GLYCERATE'
p17501
S'C(=O)([O-])C(O)CO'
p17502
sS'5-HYDROXY-CTP'
p17503
S'C(C2(C(C(O)C(N1(C(N=C(C(O)=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O'
p17504
sS'CPD-9019'
p17505
S'C4(NC1(N=C(N)NC(=O)C=1N3(CN(C2(=CC=C(C=C2)C(=O)[O-]))C[CH]34)))'
p17506
sS'CPD-16372'
p17507
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p17508
sS'CPD-16374'
p17509
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(CCCCCCCCCCCCCCC)O'
p17510
sS'CPD-16375'
p17511
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(CCCCCCCCCCCCCCC)O'
p17512
sS'CPD-16376'
p17513
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(CCCCCCCCCCCCCCC)O'
p17514
sS'CPD-16377'
p17515
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p17516
sS'CPD-16378'
p17517
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(CCCCCCCCCCCCCCC)O'
p17518
sS'CPD-4023'
p17519
S'CC(C1(C(Cl)=CC(=CC=1)Cl))(O)C(OC)N2(C=NC=N2)'
p17520
sS'CPD-9012'
p17521
S'CC(=O)NC(CCC[N+])CC(=O)NC3(C([N+]=C2(NC1(C(C(=O)NCC(O)1)N2)))OC(CO)C(OC(=O)N)C(O)3)'
p17522
sS'CPD-9013'
p17523
S'CC(C(=O)O)NC=N'
p17524
sS'CPD-9014'
p17525
S'COC(=O)CNC[N+]'
p17526
sS'CPD-9015'
p17527
S'C(NC1(=CC=C(C=C1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]))C2(CNC3(NC(O)=NC(=O)C(N2)=3))'
p17528
sS'CPD-9016'
p17529
S'C1(NC2(N=C(NC(C(=N1)O)=2)O))'
p17530
sS'CPD-9017'
p17531
S'C2(N=CC1(=C(N=C(O)N1)N=2))'
p17532
sS'CPDQT-288'
p17533
S'CS(=O)CCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p17534
sS'CPD-5221'
p17535
S'CCC(C)CCCCCC=CCC(NC(C(NC(C(NC(C(NCC(NC(C(NCC(NC(C(NC(C(N3(C(C(NC(C1(C(=O)N2(C(C(=O)N1)CCCC2)))C)=O)CCC3))=O)C(C)C)=O)C(C)[N+])=O)=O)CC(=O)[O-])=O)=O)CC(=O)[O-])=O)C(C(=O)[O-])C)=O)CC(=O)[O-])=O'
p17536
sS'12-DIHYDROXY-6-METHYLCYCLOHEXA-35-DIEN'
p17537
S'CC1(=CC=CC(O)C(O)1C(=O)[O-])'
p17538
sS'CPDQT-284'
p17539
S'CS(=O)CCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p17540
sS'CPDQT-285'
p17541
S'CSCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p17542
sS'CPDQT-286'
p17543
S'CSCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p17544
sS'CPDQT-280'
p17545
S'CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p17546
sS'CPDQT-281'
p17547
S'CSCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p17548
sS'5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3'
p17549
S'C(=CC(=O)[O-])C=C([O-])C(=O)N1(N=CC(N)=C(Cl)C(=O)1)'
p17550
sS'CPD-11519'
p17551
S'CCC=CCC4(C(=O)CCC(CCCCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p17552
sS'CPD-8499'
p17553
S'CCCCCCCCCCCCCCCCCCCC=CCCCCCCC(C)=O'
p17554
sS'CPD-8498'
p17555
S'CCCCCCCCCCCCCCCCCC=CCCCCCCC(C)=O'
p17556
sS'CPD-8497'
p17557
S'CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCC(C)=O'
p17558
sS'CPD-8496'
p17559
S'CCCCCCCCCCCCCCCCCCCCCCC=CCCCC(C)=O'
p17560
sS'CPD-8495'
p17561
S'CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCC(C)=O'
p17562
sS'CPD-8494'
p17563
S'CCCCCCCCCCCCCCCCCCCCC=CCC(C)=O'
p17564
sS'CPD-8493'
p17565
S'CCCCCCCCCCCCCCCCCCCCCCCCC=CCC(C)=O'
p17566
sS'CPD-1023'
p17567
S'CC(N(O)CCC[N+])=O'
p17568
sS'CPD-8491'
p17569
S'CCCCCCCC[CH]=O'
p17570
sS'CPD-8490'
p17571
S'CCCCCCCCC[CH]=O'
p17572
sS'4-HYDROXYPHENYLACETATE'
p17573
S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p17574
sS'CPD-14666'
p17575
S'COC2(=CC(C1(C=CC=CC=1))=CC(OC)=C(O)2)'
p17576
sS'CPD-14843'
p17577
S'C1(C(O)=C(O)C(O)=CC=1C3(OC4(C=C(O)C=C(O)C(C(=O)C(OC2(C(C(C(O)C(O2)CO)O)O))=3)=4)))'
p17578
sS'D-ERYTHRO-IMIDAZOLE-GLYCEROL-P'
p17579
S'C1(NC=NC=1C(C(O)COP(=O)([O-])[O-])O)'
p17580
sS'TAUROCYAMINE'
p17581
S'C(S(=O)(=O)[O-])CNC([N+])=N'
p17582
sS'CPD-18562'
p17583
S'CCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(OC(C(C(C2O)O)O)CO))CO)O)O))=O'
p17584
sS'CPD-14704'
p17585
S'CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O'
p17586
sS'CPD-8725'
p17587
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p17588
sS'N-FORMYLANTHRANILATE'
p17589
S'C(=O)NC1(C=CC=CC=1C([O-])=O)'
p17590
sS'CPD-14846'
p17591
S'CN3(C(O)CC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p17592
sS'CPD-8724'
p17593
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p17594
sS'CPD66-80'
p17595
S'CCC=CCC(OO)C=CC=CCC=CCC=CCC=CCCC(=O)[O-]'
p17596
sS'CPD66-81'
p17597
S'CCC=CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCC(=O)[O-]'
p17598
sS'CPD66-82'
p17599
S'CCC=CCC(O)C=CC=CCC=CC=CC=CC(O)C(O)CCC(=O)[O-]'
p17600
sS'CPD-18560'
p17601
S'CN3(C(=O)CNC(=O)C(NC(=O)C2(N=C1(C=CC=CC1=CC(O)=2)))CSC(=O)C(CS)N(C)C(=O)C(CS)N(C)C(=O)CNC(=O)C(CSC(=O)C(CS)N(C)C(=O)C3CS)NC(=O)C5(=NC4(=CC=CC=C4C=C(O)5)))'
p17602
sS'COA-GROUP'
p17603
S'CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17604
sS'CPD-8727'
p17605
S'C=CC1(C)(CC2(=CCC3(C(C)(C(O)O)CCCC(C)(C(CC1)2)3)))'
p17606
sS'CPD-10865'
p17607
S'C1(C=C(Cl)C(=C(Cl)C=1)[O-])'
p17608
sS'ISOMETHYLEUGENOL'
p17609
S'CC=CC1(C=CC(=C(C=1)OC)OC)'
p17610
sS'CPD-10862'
p17611
S'C([O-])(=O)CC1(C=CC(=C(C=1)Cl)O)'
p17612
sS'PHENYLHYDRAZINE'
p17613
S'C1(C=CC(=CC=1)NN)'
p17614
sS'ATPGAMMAS'
p17615
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])OP(=S)([O-])[O-])([O-])=O'
p17616
sS'CPD-8723'
p17617
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p17618
sS'25-DICHLOROPHENOL'
p17619
S'C1(C(Cl)=CC(=C(C=1)Cl)[O-])'
p17620
sS'XDP'
p17621
S'C(C3(OC(N2(C1(=C(C(NC(N1)=O)=O)N=C2)))C(C(O)3)O))OP(OP([O-])([O-])=O)([O-])=O'
p17622
sS'S-5-HYDROXY-2-FUROYL-COA'
p17623
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(OC(O)=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p17624
sS'CPD-7151'
p17625
S'C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])OC5(OC(C(C(C5O)O)O)COC(C=CC6(C=CC(=CC=6)O))=O)))))O'
p17626
sS'CPD-14057'
p17627
S'CN(C)CC[N+](C)C'
p17628
sS'CPD-14054'
p17629
S'CC(O)C(O)[CH]1(CNC2(N=C(N)NC(C(N1)=2)=O))'
p17630
sS'CPD-14052'
p17631
S'C(=O)([O-])C(N(O)O)CCCCCCSC'
p17632
sS'CPD-15266'
p17633
S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p17634
sS'CPD-14050'
p17635
S'CSCCCCCC(C([O-])=O)N(O)O'
p17636
sS'CPD-2301'
p17637
S'C1(C(=C(O)N=C(O)C=1)O)'
p17638
sS'9FLUORENOL'
p17639
S'C3(C=C1(C(C(O)C2(=CC=CC=C12))=CC=3))'
p17640
sS'TRANS-2-HEXENOL'
p17641
S'CCCC=CCO'
p17642
sS'S-781314-TETRAHYDROPROTOBERBERINE'
p17643
S'C2(CC1(=C(C=CC=C1)C3([N+]2CC4(=C(C3)C=CC=C4))))'
p17644
sS'CPD-18085'
p17645
S'C5(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))CC(=CC=5)C(=O)N)'
p17646
sS'CPD-13225'
p17647
S'CC(=O)NC3(C(OC2(C(O)C(C(OC1(C=CC([N+]([O-])=O)=CC=1))OC(CO)2)NC(=O)C))OC(CO)C(C(O)3)O)'
p17648
sS'CPD-13227'
p17649
S'CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO)))'
p17650
sS'CPD-13226'
p17651
S'CC(=O)NC4(C(O)C(O)C(CO)OC(OC3(C(O)C(C(OC2(C(O)C(C(OC1(C=CC([N+]([O-])=O)=CC=1))OC(CO)2)NC(=O)C))OC(CO)3)NC(=O)C))4)'
p17652
sS'CYCLOHEXANE-13-DIONE'
p17653
S'C1(CC(=O)CC(C1)=O)'
p17654
sS'CPD-13220'
p17655
S'CCC(CC)=O'
p17656
sS'CPD-13223'
p17657
S'CCCC(CC)=O'
p17658
sS'CPD-13222'
p17659
S'CC=CC(CC)=O'
p17660
sS'CPD-13229'
p17661
S'CCC=CCO'
p17662
sS'CPD-13228'
p17663
S'CCC=C[CH]=O'
p17664
sS'CPD-14949'
p17665
S'COC1(C(OC)=CC(=CC=1)C2(OC3(C(C(=O)C(O)=2)=C(O)C=C(O)C=3)))'
p17666
sS'CPD-14948'
p17667
S'COC3(=CC(O)=C2(C(=O)C(O)=C(C1(C=C(O)C(OC)=CC=1))OC2=C3))'
p17668
sS'CPD-18998'
p17669
S'CCCOC(=O)C'
p17670
sS'CPD-14238'
p17671
S'CCC=CCC=CCC=CCC=CCC=CCCC=CCC=CCC=CCC=CCC'
p17672
sS'CPD-14941'
p17673
S'COC1(C=C(C=C(OC)C(OC)=1)C2(OC3(C=C(O)C=C(O)C(C(=O)C(OC)=2)=3)))'
p17674
sS'CPD-14232'
p17675
S'C=CCCCCCCCCCCCCCCCCCC'
p17676
sS'CPD-14231'
p17677
S'CCCCCCCCCCCCCCCCCCCC'
p17678
sS'CPD-14942'
p17679
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p17680
sS'CPD-18996'
p17681
S'CN(C)N=O'
p17682
sS'CPD-14944'
p17683
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(OC)=C(O)C(OC)=C3)))'
p17684
sS'CPD-18994'
p17685
S'CCCCCC(O)C'
p17686
sS'CPD-18995'
p17687
S'CCCCCCC(O)C'
p17688
sS'ISOBUTYRYL-COA'
p17689
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C'
p17690
sS'ACETYLMALTOSE'
p17691
S'CC(OC1(OC(C(C(C1O)O)OC2(OC(C(C(C2O)O)O)CO))CO))=O'
p17692
sS'CPD-17203'
p17693
S'CC(C)=CCOC(C)(C)C1(OC3(C2(OC(C(O)1)2)C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC8(=C6C9(CC7(C(C(C)(C)OC(C)(C)7)C(=O)C(C=C8)=9))))))))'
p17694
sS'CPD-17202'
p17695
S'CC(C)=CC1(OC(C)(C)C2(OC4(C3(OC(C(O1)2)3)C5(O)(C(C)(CC4)C6(C)([CH](CC5)CC7(=C6NC9(=C7C%10(CC8(C(C(C)(C)OC(C)(C)8)C(=O)C(C=C9)=%10)))))))))'
p17696
sS'-SABINONE'
p17697
S'CC(C)C12(CC(=O)C(=C)C(C1)2)'
p17698
sS'OH-CROTONYL-COA'
p17699
S'CC(COP(=O)([O-])OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(=O)NCCC(=O)NCCSC(=O)C=CCO)O'
p17700
sS'PROTOPORPHYRINOGEN'
p17701
S'C=CC1(=C5(NC(=C1C)CC2(=C(C(=C(N2)CC3(NC(=C(C=3CCC([O-])=O)C)CC4(=C(C(=C(N4)C5)C)C=C)))CCC(=O)[O-])C)))'
p17702
sS'CPD-18508'
p17703
S'CC(C)=CCCC(C)=CCCC(C)=CCC(O)C=C(C)CCC=C(C)CCC=C(C)C'
p17704
sS'CPD-18192'
p17705
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(O)C(C(=O)C=1[O-])=2))'
p17706
sS'CAFFEOYLSHIKIMATE'
p17707
S'C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=C(O)C=2)'
p17708
sS'CPD-18190'
p17709
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1C([O-])=O)=2))'
p17710
sS'Z-11-TETRADECENOYL-COA'
p17711
S'CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17712
sS'CPD-18196'
p17713
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCC2(=C(C)C(=O)C1(=C(C=CC=C1)C(=O)2)))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)COS([O-])(=O)=O'
p17714
sS'CPD-18197'
p17715
S'CC3(O)(OC(=O)C2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C3)))'
p17716
sS'CPD-18194'
p17717
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCC2(=C(C)C(=O)C1(=C(C=CC=C1)C(=O)2)))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CO'
p17718
sS'CPD-18198'
p17719
S'C1(=O)(C(N)=C(S)C(=CS)N1)'
p17720
sS'CPD-18199'
p17721
S'CC(=O)NC1(C(=O)NC(=CS)C(S)=1)'
p17722
sS'CPD-13090'
p17723
S'CCC=CCC1(OC1CC=CCCCCCCCC(=O)[O-])'
p17724
sS'CPD-18488'
p17725
S'CCCCCCCCCCCCCCCC(C(CO)[N+])O'
p17726
sS'CPD-18044'
p17727
S'CCCCCCCCCCCCCC(=O)NC2(=CC1(=CC(O)=C(O)C=C1N3(C2=NCCC3C(=O)N[R])))'
p17728
sS'CPD-17209'
p17729
S'CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(C=O)1)CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))'
p17730
sS'CORTOLONE'
p17731
S'CC12(C3(C(CCC1CC(O)CC2)C4(CCC(C(CC3=O)(C)4)(C(CO)O)O)))'
p17732
sS'CPD-17141'
p17733
S'C(=O)([O-])C(O)C1(C(O)C(O)C(=O)O1)'
p17734
sS'CPD-3141'
p17735
S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p17736
sS'CPD-14999'
p17737
S'C(O)C1(C(O)C(O)C(O)C(O1)OCC3(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))C(O3)OC5(C(C4(=CC=C(O)C(O)=C4))=[O+]C6(C(C=5)=C([O-])C=C(O)C=6))))'
p17738
sS'L-HOMOCYSTEATE'
p17739
S'C(=O)([O-])C([N+])CCS(=O)(=O)[O-]'
p17740
sS'SINAPOYL-COA'
p17741
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(O)=C(OC)C=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p17742
sS'W+6'
p17743
S'[W++++++]'
p17744
sS'PALMATINE'
p17745
S'C2(CC1(C=C(OC)C(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(C=[N+]23)4)))OC))'
p17746
sS'UMP'
p17747
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p17748
sS'CPD0-2518'
p17749
S'CC(=O)NCP([O-])(=O)O'
p17750
sS'CPD0-2517'
p17751
S'[Mo]469%10%12([O-][Mo++]12([O--][Mo++]3%11(=O)(=O)([O--][Mo++]8(=O)(=O)([O--][Mo++]7(=O)(=O)([O--][Mo++]5(=O)(=O)([O--][Mo++]([O--]1)(=O)(=O)([O-]234)[O-]56)([O-]789))([O-]%10))[O-]%11%12))(=O)(=O))'
p17752
sS'CPD0-2516'
p17753
S'B1([O-])(OB2(OB([O-])OB(O1)O2))'
p17754
sS'L-SELENOCYSTEINE'
p17755
S'C([Se])C([N+])C([O-])=O'
p17756
sS'CPD-15549'
p17757
S'CC(O)C(O)C(OC)C(OC)[CH]=O'
p17758
sS'CPD-15018'
p17759
S'C(C3(C(CC(N2(C1(=C(C(NC=N1)=O)NC(=O)2)))O3)O))OP([O-])([O-])=O'
p17760
sS'CPD-15019'
p17761
S'C(C3(C(CC(N2(C1(=C(C(NC=[N+]1)O)NC(=O)2)))O3)O))OP(OP([O-])([O-])=O)([O-])=O'
p17762
sS'CPD-15542'
p17763
S'CCC4(C(C(=O)[O-])C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)O)[N+](C)C))O)=O)O))=O)))O'
p17764
sS'CPD-15540'
p17765
S'C4(OC2(=C(C1(C=CC(O)=CC=1))OC3(=CC([O-])=CC(=C(C2=O)3)O)))(OCC(O)C(C4O)O)'
p17766
sS'CPD-15541'
p17767
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)O)[N+](C)C))O)=O)O))=O)))O'
p17768
sS'CPD-15012'
p17769
S'C(O)C5(C(O)C(O)C(OC1(C(O)C(O)C(O)CO1))C(OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))O5)'
p17770
sS'CIS-34-DIHYDROXYCYCLOHEXA-162-DIENE-'
p17771
S'C(=O)([O-])C1(=C(C(=O)[O-])C(O)C(O)C=C1)'
p17772
sS'11-O-DEMETHYL-17-O-DEACETYLVINDOLINE'
p17773
S'CCC14(C5([N+](CC=C1)CCC2(C(N(C3(=C2C=CC(O)=C3))C)C(O)(C(OC)=O)C(O)4)5))'
p17774
sS'CPD-17112'
p17775
S'C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C=C2)C(=O)NC(CCC(NC(CCC(NC(CCC([O-])=O)C([O-])=O)=O)C([O-])=O)=O)C([O-])=O))C[CH]34)))'
p17776
sS'DIETHYLPHOSPHATE'
p17777
S'CCOP(=O)([O-])OCC'
p17778
sS'CPD-12643'
p17779
S'CC(O)(C)C1(=CC=CC=C1)'
p17780
sS'DFA-IV'
p17781
S'C1(C3(C(C(C(CO)(OCC2(C(C(C(CO)(O1)O2)O)O))O3)O)O))'
p17782
sS'HOMOCYSTINE'
p17783
S'C(CC(C([O-])=O)[N+])SSCCC(C([O-])=O)[N+]'
p17784
sS'CPD-7714'
p17785
S'C(C6(OC(OC1(=CC(=CC2([O+]=C(C(=CC1=2)OC3(OC(C(C(C3O)O)O)COC(C=CC4(C=CC(=CC=4)O))=O))C5(=CC(=C(C=C5)O)O)))[O-]))C(C(C6O)O)O))O'
p17786
sS'CPD-7710'
p17787
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)OC))(CC5))))'
p17788
sS'CPD-7713'
p17789
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)O))(CC5))))'
p17790
sS'CPD-7712'
p17791
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(CC=4)=O)OC))(CC5))))'
p17792
sS'CPD-12644'
p17793
S'CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC1(OC(CCCCC)1))COP(=O)([O-])OCC[N+](C)(C)C'
p17794
sS'S-24-DINITROPHENYLGLUTATHIONE'
p17795
S'C(=O)([O-])CNC(=O)C(NC(=O)CCC([N+])C(=O)[O-])CSC1(C=CC([N+]([O-])=O)=CC([N+]([O-])=O)=1)'
p17796
sS'CPD-9375'
p17797
S'CC(C=O)[N+]'
p17798
sS'CPD-9374'
p17799
S'CC([N+])CO'
p17800
sS'CPD-9377'
p17801
S'C(C1(=CC[CH]2(N1C(C2)=O)))([O-])=O'
p17802
sS'CPD-9376'
p17803
S'C(C1(CC[CH]2(N1C(C2)=O)))([O-])=O'
p17804
sS'CPD-9370'
p17805
S'CC(C)C1(C=CC(CCC=C(C)CC1)=C)'
p17806
sS'CPD-9373'
p17807
S'CC(CO)NC(=O)CCC([N+])C([O-])=O'
p17808
sS'CPD-9372'
p17809
S'CC(NC(CCC(C(=O)[O-])[N+])=O)C'
p17810
sS'L-2-AMINO-HEXANO-6-LACTAM'
p17811
S'C1(CCCC([N+])C(=O)N1)'
p17812
sS'CPD-9379'
p17813
S'CCC[N+]'
p17814
sS'CPD-9378'
p17815
S'CC(N(C1(C=CC=CC=1))C(CCl)=O)C'
p17816
sS'GAP'
p17817
S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p17818
sS'CPD-16454'
p17819
S'C(CCC(C(=O)[O-])[N+])(NC1(O)(C(O)C=CC=C1))=O'
p17820
sS'CPD-12647'
p17821
S'CCC=CCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)'
p17822
sS'BROMOBENZENE'
p17823
S'C1(C=CC(Br)=CC=1)'
p17824
sS'CPD-238'
p17825
S'C(CC1(C=CC=CC=1))(N)=O'
p17826
sS'CPD-239'
p17827
S'C(CS)[N+]'
p17828
sS'SO3'
p17829
S'[O-]S([O-])=O'
p17830
sS'CPD-230'
p17831
S'C(C1(OC(C(C(C1O)O)O)OCC2(OC(C(C2O)O)(O)CO)))O'
p17832
sS'CPD-231'
p17833
S'CC(C)(O)C(=O)C(=O)[O-]'
p17834
sS'CPD-232'
p17835
S'C([O-])(=O)CC(C1(C=CC(O)=CC=1))[N+]'
p17836
sS'CPD-233'
p17837
S'C(CCC(CC(=O)[O-])[N+])[N+]'
p17838
sS'CPD-234'
p17839
S'CC1(=C(C(=C(C=N1)C([O-])=O)C([O-])=O)O)'
p17840
sS'CPD-235'
p17841
S'C(C(=O)C([O-])=O)P([O-])(O)=O'
p17842
sS'CPD-236'
p17843
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p17844
sS'CPD-237'
p17845
S'C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))'
p17846
sS'ENVIOMYCIN'
p17847
S'C(CC(C([N+])CC(NC1(C(NC(C(=O)NC(C(NC(C(NC(C(NC1)=O)C2(NC(NCC2)=[N+]))=O)=CNC(=O)N)=O)CO)CO)=O))=O)O)[N+]'
p17848
sS'CPD-14462'
p17849
S'CC8(NC(=O)C3(C[CH]4(C1(=C2(C(=CC=C1)NC=C2C[CH]([N+](C)C3)4)))))(OC7(O)([CH]5(CCCN5C(=O)C(CC6(C=CC=CC=6))N7C(=O)8)))'
p17850
sS'CPD-51'
p17851
S'CC(C)C1(OC(C)1)CCC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(O)CCC(C)2[CH]3CCC(C)45))))'
p17852
sS'1-ALKYL-SN-GLYCEROL'
p17853
S'C(O)C(O)CO[R]'
p17854
sS'CPD-16169'
p17855
S'C(=O)([O-])C1(=CC=CC=C(I=O)1)'
p17856
sS'CPD-16168'
p17857
S'CC(=O)NC1(C(O)OC(COP(=O)([O-])[O-])C(O)C(O)1)'
p17858
sS'SORBYL-COA'
p17859
S'CC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p17860
sS'CPD-18514'
p17861
S'C1(N(P([O-])([O-])=O)C=NC=1CC(C(=O)[O-])[N+])'
p17862
sS'CPD-16164'
p17863
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C(O)C(C(O)OC(CO)2)[N+]))'
p17864
sS'CPD-16166'
p17865
S'C(O)C1(OC(C([N+])C(O)C1OC2(OC(C(O)C(O)C([N+])2)COP([O-])(=O)[O-]))O)'
p17866
sS'CPD-16161'
p17867
S'C(OP([O-])(=O)[O-])C1(O)(C(O)C(O)C(O)CO1)'
p17868
sS'CPD-6041'
p17869
S'CN(CC1(C=NC2(=NC(N)=NC(N)=C(N=1)2)))C3(C=CC(=CC=3)C(=O)NC(CCC([O-])=O)C(=O)[O-])'
p17870
sS'CPD-52'
p17871
S'CCCC(C(C([O-])=O)O)C([O-])=O'
p17872
sS'CPD-17568'
p17873
S'C1(CC(C(CC([N+]([O-])=O)1)[N+](=O)[O-])=O)'
p17874
sS'CPD-17569'
p17875
S'C1(C(O)=CC(=C(C=1)[O-])[N+](=O)[O-])'
p17876
sS'CPD-17566'
p17877
S'C1(=C([N+]([O-])=O)C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])'
p17878
sS'CPD-15076'
p17879
S'COC1(=CC(C=CC([O-])=O)=C(O)C=C(O)1)'
p17880
sS'CPD-17564'
p17881
S'COC1(=C(O)C=C([N+]([O-])=O)C=C1)'
p17882
sS'CPD-17565'
p17883
S'C1(=CC(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p17884
sS'N-METHYL-N-CARBAMOYL-D-ALANINE'
p17885
S'CC(N(C(=O)N)C)C(=O)[O-]'
p17886
sS'CPD-17563'
p17887
S'COC1(=C([N+])C=C([N+])C=C1)'
p17888
sS'CPD-17560'
p17889
S'COC1(=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)'
p17890
sS'CPD-17561'
p17891
S'COC1(=CC=C([N+]([O-])=O)C=C1)'
p17892
sS'CPD-3706'
p17893
S'C2(N=C1(N(C=NC1=C(N=2)N)C3(C(C(C(O3)CO)OP([O-])([O-])=O)O)))'
p17894
sS'CPD-3707'
p17895
S'C4(N=C3(N(C1(C2(C(C(O1)CO)OP(O2)([O-])=O)))C=NC3=C(N=4)N))'
p17896
sS'3-HYDROXYQUININE'
p17897
S'C=CC4(O)(C[N+]3(CCC(CC(C(O)C1(=CC=NC2(=CC=C(C=C12)OC)))3)4))'
p17898
sS'CPD-3705'
p17899
S'C1(N=C(N)C2(N=CN(C(N=1)=2)C3(OC(CO)C(O)C(OP(=O)([O-])[O-])3)))'
p17900
sS'CPD-8530'
p17901
S'C(C1(C(C(C(C(O1)O)NS([O-])(=O)=O)OC2(OC(C(O)C(C2O)O)C([O-])=O))O))OS([O-])(=O)=O'
p17902
sS'CPD-15074'
p17903
S'C1(C=C(O)C=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p17904
sS'CPD-4207'
p17905
S'CC(C)=CCNC3(=NC=NC1(=C(N=CN1C2(C(O)C(O)C(CO)O2))3))'
p17906
sS'CPD-13416'
p17907
S'C5(C(C(C(C(OCC4(OC(OC1(C(O)C(O)C(OC(CO)1)OC2(C(O)C(O)C(O)OC(CO)2)))C(O)C(O)C(OC3(OC(CO)C(O)C(O)C(O)3))4))O5)O)O)O)'
p17908
sS'CPD-13417'
p17909
S'CC%10(OC(OC9(C(C(C(OC(OC8(C(OCC7(OC(OC1(C(O)C(O)C(O)OC(CO)1))C(O)C(O)C(OC6(OC(COC2(C(C(C(CO2)O)O)OC3(C(C(C(C(O3)CO)O)O)O)))C(OC5(OC(COC4(C(C(C(CO4)O)O)O))C(O)C(O)C(O)5))C(O)C(O)6))7))OCC(C8O)O))9)CO)O)O))C(C(C%10O)O)O)'
p17910
sS'CPD-13414'
p17911
S'C([O-])(=O)C1(OC(=O)CC1)'
p17912
sS'CPD-13413'
p17913
S'C(O)C1(C(O)C(O)C(=O)O1)'
p17914
sS'CPD-3708'
p17915
S'C2(=NC1(C(=O)NC(N)=NC=1N2C3(OC(CO)C(OP(=O)([O-])[O-])C(O)3)))'
p17916
sS'CPD-3709'
p17917
S'C2(=NC1(C(=O)NC(N)=NC=1N2C4(OC(CO)C3(OP(=O)([O-])OC34))))'
p17918
sS'HYDROXYMETHYLBILANE'
p17919
S'C(O)C1(NC(=C(CCC(=O)[O-])C(CC(=O)[O-])=1)CC2(=C(CC(=O)[O-])C(CCC(=O)[O-])=C(N2)CC4(=C(CC([O-])=O)C(CCC(=O)[O-])=C(CC3(=C(CC([O-])=O)C(CCC(=O)[O-])=CN3))N4)))'
p17920
sS'2-AMINO-3-OXO-4-PHOSPHONOOXYBUTYRATE'
p17921
S'C(=O)([O-])C([N+])C(=O)COP(=O)([O-])[O-]'
p17922
sS'5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL'
p17923
S'CC(CO)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p17924
sS'CPD-11678'
p17925
S'C=CC3(C8(N2([Fe+++]46(Cl)(N1(C(C(=C(C=1C=C2C=3C)C)CCC(=O)[O-])=CC5(N4C(=C(C=5CCC(=O)[O-])C)C=C7(N6=C(C(=C7C=C)C)C=8)))))))'
p17926
sS'CPD-11679'
p17927
S'C=CC9(C5(N8(=[Fe+++]136(OC(=O)CCC%17(=C(C%15(=N%16([Fe+++]%11%13(OC(=O)CCC2(=C(N1C(=C2C)C=C4(N3=C(C(=C4C=C)C)C=5))C=C7(N6=C(C(=C7CCC(=O)[O-])C)C=C8C=9C)))(N%10(C(=C(C(=C%10C=C%12(N%11=C(C(=C%12C=C)C)C=C%14(N%13C(C(=C%14C=C)C)=C%15)))C)CCC(=O)[O-])C=C%16%17)))))C)))))'
p17928
sS'CPD-11674'
p17929
S'C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))'
p17930
sS'CPD-11675'
p17931
S'C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe-]24(N(C=1C=C3(C(C)=C(C=C)C(=[N+]23)C=C5(C(C)=C(CCC(=O)[O-])C(N45)=C6)))7))8))))'
p17932
sS'CPD-11676'
p17933
S'CC1(=C(C(=O)C)C(OC)=CC(C([O-])=O)=C1)'
p17934
sS'CPD-11677'
p17935
S'C=CC3(C8(N2([Fe+++]46(O)(N1(C(C(=C(C=1C=C2C=3C)C)CCC(=O)[O-])=CC5(N4C(=C(C=5CCC(=O)[O-])C)C=C7(N6=C(C(=C7C=C)C)C=8)))))))'
p17936
sS'CPD-11670'
p17937
S'C(O)(=O)C1(CSC(N1)CC2(=CNC3(C2=CC(O)=CC=3)))'
p17938
sS'CPD-11671'
p17939
S'C(O)CC1(=CNC2(=C1C=C(O)C=C2))'
p17940
sS'CPD-11673'
p17941
S'C(O)CC1(=CNC3(=C1C=C(OC2(OC(C(=O)O)C(O)C(O)C(O)2))C=C3))'
p17942
sS'L-5-METHYLHYDANTOIN'
p17943
S'CC1(C(=O)NC(=O)N1)'
p17944
sS'CPD0-1899'
p17945
S'CC(C1(=CN(C=CC1)C5(C(O)C(O)C(COP(=O)([O-])OP(=O)(OCC2(C(O)C(O)C(O2)N4(C3(C(=C(N)N=CN=3)N=C4))))[O-])O5)))=O'
p17946
sS'CPD0-1898'
p17947
S'CC1(C(O)C(O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))'
p17948
sS'HOMOARGININE'
p17949
S'C(C(CCCCNC(=[N+])N)[N+])(=O)[O-]'
p17950
sS'CPD-17782'
p17951
S'[CH](=O)CCC(=O)C1(C=CC(O)=NC=1)'
p17952
sS'CPD-17783'
p17953
S'CC=C(C=O)C(CC=O)CC(=O)OCCC1(C=CC(=CC=1)O)'
p17954
sS'CPD-17780'
p17955
S'C6(OC(=O)C9(C(OC2(C(O)=C1(C8(=C(OC(=O)C1=CC(O)=2)C(O)=C(O)C=C(C(O[CH]5(C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C(OC(=O)C4(C=C(O)C(O)=C(O)C=4))C(O[CH]56)OC(=O)C7(C=C(O)C(O)=C(O)C=7)))=O)8))))=C(O)C(O)=C(O)C=9))'
p17956
sS'CPD-17781'
p17957
S'C1(C(=C(C(=C2(C=1C(=O)OC(CO)C([CH]3([CH]5(C(C6(=C(C(=C(C(C4(=C(C(=C(C2=C(C(=O)O3)4)O)O)O))=C(C(=O)O5)6)O)O)O))O)))O))O)O)O)'
p17958
sS'CPD-17786'
p17959
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C3)'
p17960
sS'CPD-17787'
p17961
S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p17962
sS'CPD-17784'
p17963
S'CC=C3(C(OC1(C(O)C(C(O)C(CO)O1)O))OC=C(C(=O)OC)C(CC(=O)OCCC2(C=CC(O)=C(O)C=2))3)'
p17964
sS'CPD-17785'
p17965
S'CC1(C(C=O)C(CC(=O)[O-])C(C(=O)OC)=CO1)'
p17966
sS'DELTA-TOCOPHEROL'
p17967
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=C(O1)2)C))'
p17968
sS'CPD-17789'
p17969
S'CC2(=C(C(=O)C1(C(O)=C(Cl)C(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p17970
sS'5-AMINO-LEVULINATE'
p17971
S'C(C(C[N+])=O)CC([O-])=O'
p17972
sS'CPD-18067'
p17973
S'CC=C(C)C=C(C)C=C(C=CC=C(C(=O)CC(=O)NC(CCO)CO)C)C'
p17974
sS'BENZENAMINE-SULFATE'
p17975
S'C1(C=CC(=CC=1)NS(=O)(=O)[O-])'
p17976
sS'CPD-5662'
p17977
S'C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])'
p17978
sS'CPD-5661'
p17979
S'CC(=CC=CC=C(C=CC=C(C=CC1(=C(CC(CC1(C)C)O)C))C)C)C=CC=C(C=CC2(C(=CCCC2(C)C)C))C'
p17980
sS'5-DIPHOSPHO-1D-MYO-INOSITOL-12346P'
p17981
S'C1(OP([O-])([O-])=O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP([O-])(=O)OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p17982
sS'CPD-16788'
p17983
S'C([O-])(=O)C(=O)CC(O)CP(=O)([O-])O'
p17984
sS'HYDROXYMUCONATE-SALD'
p17985
S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p17986
sS'CPD-16781'
p17987
S'CN5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C5))))'
p17988
sS'CPD-16783'
p17989
S'COC5(=C(O)C1(=C(C[CH]2(N(C1)CCC4(C2=CC3(OCOC=3C=4))))C=C5))'
p17990
sS'CPD-16782'
p17991
S'C[N+]5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C=5))))'
p17992
sS'CPD-16785'
p17993
S'C(OP([O-])(=O)OC3(C(O)C(COP([O-])(OP([O-])(OP([O-])([O-])=O)=O)=O)OC(N2(C1(N=C(N)NC(=O)C=1N=C2)))3))C6(C(O)C(O)C(N5(C4(=NC=NC(N)=C4N=C5)))O6)'
p17994
sS'CPD-16787'
p17995
S'CCCN(C(=O)N1(N=CC=C1))CCOC2(C(Cl)=CC(Cl)=CC(Cl)=2)'
p17996
sS'CPD-12099'
p17997
S'CC(C)=CCCC(C)(OC2(C(O)C(C(O)C(COC1(C(O)C(O)C(O)C(CO)O1))O2)O))[CH]3(CCC4([CH]3C(O)C[CH]5(C4(C)CC[CH]6(C5(C)CCC(C(C)(C)6)OC7(C(C(C(O)C(CO)O7)O)O))))C)'
p17998
sS'CPD-12098'
p17999
S'CC(O)C1(NC(C(NC(=O)C(CCCN(C=O)O)NC(=O)C(CCCCNC(=O)1)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(NC(C(CO)NC(C3(CCN=C(C(NC(CCC(C(=O)[O-])[N+])=O)CC2(=CC=C(O)C=C2))N3))=O)=O)CCCNC(=[N+])N)C(C)O)=O)'
p18000
sS'CPD-12097'
p18001
S'[CH](=O)N(O)CCCC([N+])C(=O)[O-]'
p18002
sS'CPD-12096'
p18003
S'CC(O)C1(NC(C(NC(=O)C(CCCN(C=O)O)NC(=O)C(CCCCNC(=O)1)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(NC(C(CO)NC(C4(CCN=C3(C(NC(CCC(C([O-])=O)[N+])=O)=CC2(=CC(O)=C(O)C=C2N34))))=O)=O)CCCNC(=[N+])N)C(C)O)=O)'
p18004
sS'CPD-11937'
p18005
S'C1(OP([O-])(=O)[O-])(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])OP(O)(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)1)'
p18006
sS'AMINOHYDROQUINONE'
p18007
S'C1(C=C(O)C(N)=CC(O)=1)'
p18008
sS'CPD-10034'
p18009
S'C=C(C1(CC(C(CC1)C)O))C'
p18010
sS'CPD-10789'
p18011
S'CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p18012
sS'CPD-10788'
p18013
S'CN1(C(=[NH])N(C(C1)=O)P(=O)([O-])[O-])'
p18014
sS'CPD-10787'
p18015
S'CCCCCCCCCCCC(=O)C(O)CC'
p18016
sS'TRANS-12-DCE'
p18017
S'C(Cl)=CCl'
p18018
sS'CPD-10785'
p18019
S'CCCCCCCC(=O)NC1(CCOC(=O)1)'
p18020
sS'CPD0-2011'
p18021
S'[CH](=O)C1(N=CC=CC=1)'
p18022
sS'CPD-10783'
p18023
S'CCCCCCCCCC(=O)CC(=O)NC1(CCOC(=O)1)'
p18024
sS'CPD-10782'
p18025
S'CCCCCC(=O)CC(NC1(CCOC(=O)1))=O'
p18026
sS'CPD-10781'
p18027
S'CC(O)CC(=O)NC1(CCOC(=O)1)'
p18028
sS'CPD-10780'
p18029
S'CCCC(=O)CC(=O)NC1(CCOC(=O)1)'
p18030
sS'CPD-11924'
p18031
S'CC(=O)OC3(CC5(C)(C(CCC(C4(C(C1(=C2(C(=CO1)C(=O)OC(COC)C(C)2C3=4)))=O))5)=O))'
p18032
sS'CPD-11925'
p18033
S'CC(C=CC=CC=CC1(OC(=O)C=C(OC)C(C)=1))=CC2(C)(OC(C)C(C)(O)C(O)2)'
p18034
sS'CPD-11920'
p18035
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OCC(O)CO)([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p18036
sS'ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT'
p18037
S'CC(=O)NC3(C(CC(C([O-])=O)(OC2(C(O)C(OC1(C(NC(C)=O)C(OC(CO)C(O)1)OC([R])C(C(=O)[a'
p18038
sS'2-OXOALDEHYDE'
p18039
S'[CH](=O)C(=O)[R]'
p18040
sS'CPD-12328'
p18041
S'C(=NO)CCC1(=CC=CC=C1)'
p18042
sS'CPD-12327'
p18043
S'CCCC#N'
p18044
sS'CPD-12326'
p18045
S'CC1(=CC(=CC(=C1NC2(C(C=C5(C(C(C)=2)=C3(C(=CC(C(=C(C)3)NC4(=C(C=C(C=C(C)4)O)O))=O)O5)))=O))O)O)'
p18046
sS'CPD-17684'
p18047
S'C(N)(=O)C1(C=CC(O)=CC=1)'
p18048
sS'CPD-11928'
p18049
S'C1(C(C(CO)OC1N3(C=NC2(C(CNC=[N+]C=23)O)))O)'
p18050
sS'CPD-18224'
p18051
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C3(C(C)C4(C(=O)CC2(OC(C)C(C(OC)=O)C2(O3)O4)(C)))'
p18052
sS'CPD-12321'
p18053
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C'
p18054
sS'CPD-4201'
p18055
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])O)([O-])=O)O)O))C=NC=23)))C'
p18056
sS'BUTYLAMINE'
p18057
S'CCCC[N+]'
p18058
sS'CPD-17313'
p18059
S'CCCCCCCCCC=CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p18060
sS'CPD-10255'
p18061
S'C=CCC=CCC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p18062
sS'TRINAPHTAL-CPD'
p18063
S'C1(C(O)=CC2(C(C=1)=C(C=C(O)C=2)O))'
p18064
sS'CPD-10257'
p18065
S'C=CCC=CCC=CCCCCCCCC1(C=C(O)C=C(OC)C=1)'
p18066
sS'CPD-10256'
p18067
S'C=CCC=CCC=CCCCCCCCC1(=CC(O)=CC(O)=C1)'
p18068
sS'REDUCED-MENAQUINONE'
p18069
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C(C)=C(O)C1(=CC=CC=C1C(O)=2))'
p18070
sS'CPD-10259'
p18071
S'C=CCC=CCC=CCCCCCCCC1(=C([O-])C(=O)C=C(OC)C(=O)1)'
p18072
sS'CPD-10258'
p18073
S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(O)=CC(OC)=C1)'
p18074
sS'CPD-8184'
p18075
S'C3(C=CC(C2(OC1(C(=C(O)C=C([O-])C=1)C(=O)C=2)))=CC=3)'
p18076
sS'CPD-4822'
p18077
S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C([N+])C(O)3))[N+]))'
p18078
sS'CPD-4823'
p18079
S'C(O)C1(OC(C(O)C([N+])C(O)1)OC3(C(C(OC2(C([N+])C(O)C(O)C(CO)O2))C([N+])CC3[N+])O))'
p18080
sS'CPD-9812'
p18081
S'CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p18082
sS'CPD-4821'
p18083
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)OC3(OC(CO)C(O)C([N+])C(O)3))[N+]))'
p18084
sS'CPD-9814'
p18085
S'CCCCCCC=CCCCCCCCCCC(NC(C(O)C=CCCCCCCCCCCCCC)CO)=O'
p18086
sS'CPD-9815'
p18087
S'C3(=CC1(C(=CC=C2(C=1OC(C=C2)=O))O3))'
p18088
sS'CPD-9816'
p18089
S'CCCCCCCCCC=CCCCCC(O)C(NC(=O)CCCCCCCCCCCCCCC)CO'
p18090
sS'CPD-9817'
p18091
S'CCCCCCCCCC=CCCCCC(C(CO)NC(CCCCCCCCCCCCCCC)=O)O'
p18092
sS'CPD-13548'
p18093
S'CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(=CC([O-])=O)C'
p18094
sS'CPD-18694'
p18095
S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p18096
sS'CPD-17312'
p18097
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18098
sS'CPD-18691'
p18099
S'COC(=O)C1(C=CC(O)=CC=1)'
p18100
sS'CPD-18690'
p18101
S'CC2(C(O)C(O)C(O)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p18102
sS'CPD-8189'
p18103
S'CCCCCCCCCCCCCCCC(=O)OCCC(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(C)C)C)C)C)C)C)C)C)C)C)C)C)C)C)C'
p18104
sS'N-HYDROXY-2-ACETAMIDOFLUORENE'
p18105
S'CC(=O)N(C3(C=CC2(C1(C(=CC=CC=1)CC=2C=3))))O'
p18106
sS'N-BENZOYL-D-ARGININE'
p18107
S'C(CCC(NC(=O)C1(C=CC=CC=1))C(=O)[O-])NC(=[N+])N'
p18108
sS'CINNAMALDEHYDE'
p18109
S'[CH](C=CC1(=CC=CC=C1))=O'
p18110
sS'CPD-14992'
p18111
S'C(OC4(C(O)C(O)C(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))OC4CO))(=O)C=CC5(C=CC(O)=CC=5)'
p18112
sS'CPD-13549'
p18113
S'CC(=CC=CC(C)=CC(=O)[O-])C=CC1(=C(C)CCCC1(C)C)'
p18114
sS'CPD-14546'
p18115
S'C1(NC(=O)NC=1)'
p18116
sS'L-THREO-3-METHYL-ASPARTATE'
p18117
S'CC(C([N+])C([O-])=O)C([O-])=O'
p18118
sS'D-MYO-INOSITOL-1-MONOPHOSPHATE'
p18119
S'C1(O)(C(O)C(O)C(OP([O-])(=O)[O-])C(O)C(O)1)'
p18120
sS'CPD-11738'
p18121
S'C(O)C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p18122
sS'+-5-oxo-1-2-campholide'
p18123
S'CC1(C)(C2(CC(=O)OC1(C)CC(=O)2))'
p18124
sS'CPD-14469'
p18125
S'C=CC(C)(C)C4(=C2(C[CH]1([CH](C(OC(C)=O)C(C[N+](C)1)C)C3(=C2C(=CC=C3)N4))))'
p18126
sS'CU+'
p18127
S'[Cu+]'
p18128
sS'DIIODO-4-HYDROXYPHENYLPYRUVATE'
p18129
S'C1(C(=C([O-])C(I)=CC=1CC(=O)C(=O)[O-])I)'
p18130
sS'HERBICIDE-14A'
p18131
S'CC1(C(=[N+]C=CC=1)[N-]C(O)(P(=O)([O-])O)P(=O)([O-])O)'
p18132
sS'MG-PROTOPORPHYRIN-MONOMETHYL-ESTER'
p18133
S'C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(CCC(=O)OC)C(N56)=C7))))8))))'
p18134
sS'BETAINE'
p18135
S'C[N+](C)(CC([O-])=O)C'
p18136
sS'CPD-18039'
p18137
S'CC3(C(=O)C4(C[CH]5(C2(N(C)C(CC1(C(=O)C(C)=C(OC)C(=O)C=12))C(C#N)N(C(CNC(=O)C([N+])C)C(C(=O)C(OC)=3)=4)5))))'
p18138
sS'CPD-18031'
p18139
S'CCCCC1(=CN=C(C(=O)[O-])C=C1)'
p18140
sS'CPD-18030'
p18141
S'CC3(=CC4(C[CH]5(C2(NC(CC1(=C(O)C(C)=C(OC)C(O)=C12))C(O)N(C(CNC(=O)C(NC([R])=O)C)C(C(O)=C(OC)3)=4)5))))'
p18142
sS'CPD-18033'
p18143
S'C=CCCC1(=CN=C(C(=O)[O-])C=C1)'
p18144
sS'CPD-18032'
p18145
S'CC(O)CCC1(=CN=C(C(=O)[O-])C=C1)'
p18146
sS'CPD-18034'
p18147
S'CCCCC1(=CN=C(C(=O)OC)C=C1)'
p18148
sS'CPD-18037'
p18149
S'CC1(=C(C(=O)C3(=C(C1=O)C[CH]4([CH]5(C2(C(=C(C(C)=C(C=2C([CH](C(N(C(CNC(C(C)[N+])=O)3)4)O)N(C)5)OC)O)OC)O)))))OC)'
p18150
sS'CPD-18036'
p18151
S'CC1(C(=C(C3(=C(C=1)C[CH]4(C(N5(C(CNC(C(C)[N+])=O)C2(C(=O)C(=C(C)C(C=2C[CH]([CH]3N(C)4)5)=O)OC)))O)))O)OC)'
p18152
sS'CPD-14556'
p18153
S'COC1(=CC(=O)C=C(OC)C(=O)1)'
p18154
sS'CPD-14554'
p18155
S'[NH2]O'
p18156
sS'CPD-14555'
p18157
S'C([O-])(=O)CC([N+])CC(=O)[O-]'
p18158
sS'CPD-14550'
p18159
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OC1(OC(CO)C(O)C(O)1)'
p18160
sS'CPD-15136'
p18161
S'CC1(=CC(=O)NC2(C1=CC=CC=2))'
p18162
sS'CPD-1836'
p18163
S'CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p18164
sS'FE+2'
p18165
S'[Fe++]'
p18166
sS'CPD-1834'
p18167
S'CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p18168
sS'CPD-1833'
p18169
S'CC(C)C(C=CC(C)C1(CCC2(C1(C)CCC3(C4(C(O)(CC=C23)CC(CC4)O)C))))C'
p18170
sS'CPD-14558'
p18171
S'COC1(C(=O)C=CC(=O)C=1)'
p18172
sS'CPD-1831'
p18173
S'C(C#CC([O-])=O)(=O)[O-]'
p18174
sS'DEACETYLCEPHALOSPORIN-C'
p18175
S'C(O)C2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p18176
sS'CPD-15977'
p18177
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O'
p18178
sS'CPD-15976'
p18179
S'C(C2(C(C(C(C(OC1(C(OC(C(C1O)O)O)CO))O2)O)O)O))O'
p18180
sS'CPD-14013'
p18181
S'CC(C)C12([CH](C1)C(=C)CC2)'
p18182
sS'CPD-2281'
p18183
S'C(O)C1(OC(C(C1O)O)(CO)OCC2(OC(C(C(O)2)O)(CO)OCC4(OC(OC3(C(C(C(O3)CO)O)O)(CO))C(C(C(O)4)O)O)))'
p18184
sS'CPD-13788'
p18185
S'C[Se]CC(NC(CCC([N+])C(=O)[O-])=O)C(=O)[O-]'
p18186
sS'CPD-13789'
p18187
S'COC1(C(C(=O)[O-])OC(O)C(O)C(O)1)'
p18188
sS'CPD-5061'
p18189
S'C(CC(=O)C(=O)[O-])CC(=O)C(=O)[O-]'
p18190
sS'CPD-13784'
p18191
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C([N+](C)C)C(O)3)))'
p18192
sS'CPD-5062'
p18193
S'C1(C=C(NC(=C1)C(=O)[O-])C(=O)[O-])'
p18194
sS'CPD-13783'
p18195
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C([N+])C(O)3)))'
p18196
sS'CPD-13780'
p18197
S'CC1(CC([N+](C)C)C(O)C(O)O1)'
p18198
sS'CPD-14010'
p18199
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=CC(O)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p18200
sS'CPD-14445'
p18201
S'CC1(C=C(CSC(=[N+])NC(=[N+])N)C(C)=CC(CSC(NC(=[N+])N)=[N+])=1)'
p18202
sS'ERYTHRULOSE'
p18203
S'C(O)C(O)C(=O)CO'
p18204
sS'XANTHINE-8-CARBOXYLATE'
p18205
S'C12(NC(NC(C=1NC(C(=O)[O-])=N2)=O)=O)'
p18206
sS'CPD-19124'
p18207
S'CCC(C)C(OC2(C(C(OC1(OC(COC(=O)CC(C)C)C(C(OC(=O)CC(C)C)1)O)CO)OC(C(OC(=O)CC(C)C)2)CO)O))=O'
p18208
sS'CPD0-1078'
p18209
S'C1(C=CC(P([O-])(=O)[O-])=CC=1)'
p18210
sS'CPD-19126'
p18211
S'C(COP(=O)([O-])OCC([N+])C(=O)[O-])NC(=[N+])N'
p18212
sS'CPD-14331'
p18213
S'CC(C=CC1(=C(C(C)CCC1(C)C)C))=CC=CC(=CC=O)C'
p18214
sS'CPD-19120'
p18215
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)OC(=O)CC(C)C)CO))=O)C'
p18216
sS'CPD-19121'
p18217
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)OC(=O)C(C)C)CO))=O)C'
p18218
sS'CPD-19122'
p18219
S'CCCCCCCCCCCC(OC2(C(OC1(OC(C(OC(=O)CC(C)C)C(C1O)OC(=O)C(C)CC)CO))(OC(CO)C2O)CO))=O'
p18220
sS'CPD-19123'
p18221
S'CCCCCCCCCCCC(OC2(C(OC1(OC(C(OC(=O)CC(C)C)C(C1OC(=O)C)OC(=O)C(C)CC)CO))(OC(CO)C2O)CO))=O'
p18222
sS'CPD0-1075'
p18223
S'CCP([O-])(=O)O'
p18224
sS'CPD0-1074'
p18225
S'C(P([O-])(=O)[O-])[N+]'
p18226
sS'CPD0-1077'
p18227
S'C(CCP([O-])(=O)O)[N+]'
p18228
sS'CPD-14441'
p18229
S'CC=CC(=O)C(=O)[O-]'
p18230
sS'CPD-8857'
p18231
S'CCC(C(C(=O)[O-])[N+])O'
p18232
sS'DEOXYCHOLYL-COA'
p18233
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(CCC4(CC(O)CCC(C)4[CH](CC(O)C(C)56)7))))'
p18234
sS'CPD-8855'
p18235
S'C([O-])(=O)C(C(C1(=CC=CC=C1))O)[N+]'
p18236
sS'CPD-8854'
p18237
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=[N+]2(CCC3(C=C(C(=CC2=3)O)O))'
p18238
sS'CPD-8853'
p18239
S'C2(CC1(=CC(C(C=C1N2)O)O))'
p18240
sS'CPD-18341'
p18241
S'C=CC1(C)(CCC(C)(C(C)C)C3(C1=C2(C4(C(=CN2)CC(COC)NC(C(C(C)C)N(C)C(C=3)=4)=O))))'
p18242
sS'CPD-8851'
p18243
S'C(CC1(=CC(C(C=C1)=O)=O))[N+]'
p18244
sS'CPD-19155'
p18245
S'CCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18246
sS'CPD-4209'
p18247
S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p18248
sS'CPD-14335'
p18249
S'CC(C=CC1(C(C)(C)CC(O)CC(C)=1))=CC=CC(C)=CC=O'
p18250
sS'CPD-19154'
p18251
S'CCCCCCC=CCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18252
sS'PHYTOSPINGOSINE'
p18253
S'CCCCCCCCCCCCCCC(O)C(C(CO)[N+])O'
p18254
sS'CPD-19159'
p18255
S'CCCCCCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18256
sS'CPD-11952'
p18257
S'CC2(OC(C1(C=CC(O)=C(O)C=1))=NC2C(=O)NCCCNCCCNC(=O)C3(C=CC=C(O)C=3O))'
p18258
sS'CPD-19158'
p18259
S'CCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18260
sS'CPD-13540'
p18261
S'CC12(CCCC(C1CCC34(C2CCC(C3)C(C4)C([O-])=O))(C)C([O-])=O)'
p18262
sS'CPD-1486'
p18263
S'[Ag++]'
p18264
sS'CPD-1484'
p18265
S'[Al+++]'
p18266
sS'N-METHYLARGININE'
p18267
S'C[N+]=C(N)NCCCC(C(=O)[O-])[N+]'
p18268
sS'CPD-15209'
p18269
S'C3(=O)(NC(CC1(C=CC(O)=CC=1))C(=O)NC(CC2(C=CC(O)=CC=2))3)'
p18270
sS'CPD-15208'
p18271
S'CC(C)C=C2(NC(=O)C(=CC1(=CC=CC=C1))NC(=O)2)'
p18272
sS'CPD-12520'
p18273
S'C(OP(NP(=O)([O-])[O-])(=O)[O-])C1(OC(CC(O)1)N2(CCC(=O)NC(=O)2))'
p18274
sS'CPD-15203'
p18275
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC=C(O)1)O)'
p18276
sS'CPD-15202'
p18277
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC=C(N)1)O)'
p18278
sS'CPD-15205'
p18279
S'C1(O)(C(O)C(O)OC(C(=O)[O-])C(O)1)'
p18280
sS'CPD-12524'
p18281
S'C(C1(C(C(C(C(O1)O)O)O)O))([O-])=O'
p18282
sS'CPD-12527'
p18283
S'C1(O)(C(O)C(OS(=O)(=O)[O-])C(O)OC(C(=O)[O-])1)'
p18284
sS'L-ARABINO-1-5-LACTONE'
p18285
S'C1(OC(=O)C(O)C(O)C(O)1)'
p18286
sS'CPD-16642'
p18287
S'CC1(=C(C(=O)OC)C(=CC2(=CC3(=C(C(O)=C12)C(C4(C(=O)C=C(C(C(C3=O)4O)O)OC)O)=O)))O)'
p18288
sS'CPD-429'
p18289
S'CCCCCCCCCCCCCCCC(OC1(C(CC2(C)([CH](C1)C(C=C4(C2CCC3(C(CC[CH]3C(C(CCC(C)(C)O)O)C)4O)C))=O))O))=O'
p18290
sS'CPD-428'
p18291
S'CCC1(OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)C(=O)C(C)C(O)C(C)1)'
p18292
sS'CPD-13541'
p18293
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C=O'
p18294
sS'CPD-425'
p18295
S'C(=O)([O-])CNC(=O)C1(C=CC=CC=1)'
p18296
sS'CPD-424'
p18297
S'CC(=O)NC(CC1(=CNC=N1))C(=O)[O-]'
p18298
sS'CPD-421'
p18299
S'C(CCC(NC(=O)CCC([O-])=O)C(=O)[O-])NC(=[N+])N'
p18300
sS'CPD-420'
p18301
S'CC(NC(C(=O)[O-])CC(=O)[O-])=O'
p18302
sS'CPD-423'
p18303
S'C([O-])(=O)C1(C=CC=CC=1NC(=O)C2(C=CC=CC=2))'
p18304
sS'CPD-422'
p18305
S'C(NC1(C=CC=CC=1C([O-])=O))(=O)CC([O-])=O'
p18306
sS'AGARITINE'
p18307
S'C1(C=C(C=CC=1CO)NNC(=O)CCC([N+])C(=O)[O-])'
p18308
sS'CPD0-1408'
p18309
S'CC1(C(C=O)=C(O)C(C)=NC=1)'
p18310
sS'CPD-16576'
p18311
S'CC(=CC(=O)[O-])CC(=O)[O-]'
p18312
sS'CPD-16577'
p18313
S'C(OP([O-])(=O)[O-])C1(OC(C(C(C1O)O)O)OP(=O)([O-])[O-])'
p18314
sS'CPD-16575'
p18315
S'C(C1(OC(C(C(C1O)O)O)OCC2(OC(C(C(C2O)O)O)O)))O'
p18316
sS'CPD0-1400'
p18317
S'C([N+])C3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18318
sS'CPD0-1401'
p18319
S'C([N+]=C(N)N)C3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18320
sS'CPD0-1402'
p18321
S'C([N+])CC[N+]CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18322
sS'CPD0-1403'
p18323
S'C[N+]CCC[N+]CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18324
sS'CPD0-1404'
p18325
S'C([N+])CC([N+])CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18326
sS'CPD0-1405'
p18327
S'C(O)CC(C(N)=O)CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18328
sS'CPD0-1406'
p18329
S'C([N+])CCC([N+])CC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(O)3)'
p18330
sS'CPD0-1407'
p18331
S'C6(N(C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(C(C(=O)C5(C=CN=CC=5))C=6)C(=O)N)'
p18332
sS'THIOFORMAMIDE'
p18333
S'C(=S)N'
p18334
sS'CPD-12663'
p18335
S'C(O)C2(OC(OC1(=C(C=C(O)C=C1)C([O-])=O))C(O)C(O)C(O)2)'
p18336
sS'CPD-12667'
p18337
S'CCCCCCCCC=CCCCCCCC[CH]=O'
p18338
sS'CDP-D-GLUCOSE'
p18339
S'C(C3(OC(OP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)C(C(C3O)O)O))O'
p18340
sS'CPD-12665'
p18341
S'C(O)C2(OC(OC1(=CC=C(O)C(C(=O)[O-])=C1))C(O)C(O)C(O)2)'
p18342
sS'TRIMETHYLSULFONIUM'
p18343
S'C[S+](C)C'
p18344
sS'CPD-689'
p18345
S'CC1(C8(C(CCC([O-])=O)C(C)(C)C6([N+]([Co--]35([N+]4(=C(C(C(C([CH]2(C(C(CCC([O-])=O)(C)C=1N23)CC([O-])=O))(C)4)(C)CC(N)=O)CCC(=O)[O-])C(=C7([N+]5=C(C=6)C(C(C)(CC(N)=O)7)CCC([O-])=O))C)))=8)))'
p18346
sS'CPD-688'
p18347
S'CC3(=C5(C(C(C(C4(N=C(C(C)=C1(C(C(CCC(=O)[O-])C(=N1)C=C2(C(C)(C)C(CCC(=O)[O-])C(=N2)3))(CC(=O)N)C))C(CCC([O-])=O)C(CC(=O)N)(C)4)C)[N+]5)CC(=O)[O-])(C)CCC(=O)[O-]))'
p18348
sS'CPD66-18'
p18349
S'CCC(C)(C)C(=O)OC2(CC(C)C=C1(C=CC(C)C(CCC(CC(O)CC([O-])=O)O)[CH]12))'
p18350
sS'CPD-10803'
p18351
S'CCCC(=O)NC(CCO)C(=O)[O-]'
p18352
sS'CPD-10804'
p18353
S'CCCC(=O)CC(=O)NC(CCO)C(=O)[O-]'
p18354
sS'CPD-10805'
p18355
S'CCCCCCCC(=O)NC(CCO)C(=O)[O-]'
p18356
sS'CPD-10806'
p18357
S'CCCCCC(O)[CH]=CC=O'
p18358
sS'CPD-8708'
p18359
S'CC(C3(=CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p18360
sS'CPD-8707'
p18361
S'CC(C3(=CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p18362
sS'CPD-2021'
p18363
S'CCC1(C)(OC(CCC(C)=CCCC(C)=CC(=O)[O-])1)'
p18364
sS'CPD-2750'
p18365
S'C1(=O)(C(O)C[CH](N(C)1)C2(C=NC=CC=2))'
p18366
sS'CPD-682'
p18367
S'CC(C12(CCC(C(C1)2)(O)C))C'
p18368
sS'CPD-685'
p18369
S'CC2(C)(C1(CC(C)(CC1)C(O)2))'
p18370
sS'CPD-684'
p18371
S'CC1(=CCCC(=CC2(C(C(CCC(=CCC1)C)2)(C)C))C)'
p18372
sS'CPD-687'
p18373
S'CC3(=C5(C(C(C(C4(N=C(C(C)=C1(C(C(CCC(=O)[O-])C(=N1)C=C2(C(C)(C)C(CCC(=O)[O-])C(=N2)3))(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)4)C)[N+]5)CC(=O)[O-])(C)CCC(=O)[O-]))'
p18374
sS'CPD-686'
p18375
S'CC3(C5(C(C([CH](C4(N=C(C(C)=C1(C(C(CCC(=O)[O-])C(=N1)CC2(C(=C(CCC(=O)[O-])C(=N2)3)C)C)(CC(=O)[O-])C))C(CCC([O-])=O)C(CC(=O)[O-])(C)4)C)N=5)CC(=O)[O-])(C)CCC(=O)[O-]))'
p18376
sS'CPD1G-0'
p18377
S'C(O)C2(C(C(C([N+])C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)O)O)'
p18378
sS'CPD1G-159'
p18379
S'CC1(C(N2(N(C=1C)C(=C(C2=O)C)CBr))=O)'
p18380
sS'CPD0-2202'
p18381
S'CCCCCCC1(CC1CCCCCCCC(OCC(COP(OCC(O)CO)([O-])=O)OC(=O)CCCCCCCC2(CC(CCCCCC)2))=O)'
p18382
sS'HEXANOL-CMPD'
p18383
S'CCCCCCO'
p18384
sS'CPD-13544'
p18385
S'CC1(CCCC2(C)(C3(CCC4(CC(CCC12)3C=C4C([O-])=O))))C=O'
p18386
sS'CPD-9946'
p18387
S'CC=CC1(=C(OC([R])=O)C=CC(OC)=C1)'
p18388
sS'CPD-8222'
p18389
S'C=C(C1(CC(C(CC1)(C)O)O))C'
p18390
sS'CPD-9038'
p18391
S'CC3(C4(=CC5(=C(C(CCC([O-])=O)=C(CC1(=C(CCC([O-])=O)C(CC(=O)[O-])=C(N1)CC2(NC(=C(CC([O-])=O)C=2CCC([O-])=O)CC(C3CCC(=O)[O-])=N4)))N5)CC([O-])=O)))(CC([O-])=O)'
p18392
sS'KETOPYRUVATE'
p18393
S'C(=O)C(C(=O)[O-])=O'
p18394
sS'2-METHYLMALEATE'
p18395
S'CC(=CC(=O)[O-])C(=O)[O-]'
p18396
sS'CPD-9037'
p18397
S'CC%12(C=C4(C(N3(C%11(OC(CO)C(OP([O-])(=O)OC(C)CNC(=O)CCC1(C(CC(N)=O)[CH]2(C8(C)(C(C)(CC(N)=O)C(CCC(=O)N)C7(C(C)=C%10(C(CC(=O)N)(C(CCC(N)=O)C9(C=C6(C(C)(C)C(CCC(N)=O)C5(C(C)=C1N2[Co---]([N+](=C3)4)(C)([N+]=56)([N+]=78)[N+]=9%10))))C)))))(C))C(O)%11)))=CC(C)=%12))'
p18398
sS'CPD-9035'
p18399
S'CS(CCC(C([O-])=O)[N+])(=N)=O'
p18400
sS'CPD-9030'
p18401
S'CC1(N=CC(C([O-])=O)=CC=1)'
p18402
sS'CPDQT-262'
p18403
S'C(=NO)CCCCCCCCSC'
p18404
sS'CPDQT-264'
p18405
S'COC2(=C1(C([CH]=O)=CNC1=CC=C2))'
p18406
sS'CPD0-1562'
p18407
S'C(C(C(=O)[O-])[N+])[Se][Se]CC(C(=O)[O-])[N+]'
p18408
sS'ALBENDAZOLE-S-OXIDE'
p18409
S'CCCS(=O)C1(=CC=C2(N=C(NC(=C1)2)NC(=O)OC))'
p18410
sS'ALPHA-L-GLUTAMYL-PHOSPHATE'
p18411
S'C(CC(=O)[O-])C([N+])C(=O)OP(=O)([O-])[O-]'
p18412
sS'CPD-18745'
p18413
S'C2(C=CC(OC1(=CC(Br)=CC(O)C(O)1))=CC=2)'
p18414
sS'CPD-12709'
p18415
S'C(F)C([O-])=O'
p18416
sS'CPD-9941'
p18417
S'CC1(=NC=CC2(=C1NC3(C=C(O)C=CC2=3)))'
p18418
sS'CPD-12708'
p18419
S'C(F)[CH]=O'
p18420
sS'CPD-9315'
p18421
S'C1(CC=1)'
p18422
sS'CPD-12705'
p18423
S'CC(C)CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18424
sS'OROTIDINE-5-PHOSPHATE'
p18425
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C(C(=O)[O-])=CC(=O)NC(=O)2))'
p18426
sS'CPD-12000'
p18427
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC8(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C([O-])=O)=O)C(=O)[O-])C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C(NC(C([O-])=O)CCCC(C(NC(C)C([O-])=O)=O)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC7(C(OC4(OC(CO)C(O)C(O)C(NC(=O)C)4))C(CO)OC(OC5(C(CO)OC(C(NC(=O)C)C(O)5)OC6(C(CO)OC(O)C(NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C([O-])=O)=O)C(=O)[O-])6)))C(NC(C)=O)7))C(=O)[O-])=O)=O)C(=O)[O-])C(NC(C)=O)8))C)C)C)C)C)C'
p18428
sS'CPD-12707'
p18429
S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CF'
p18430
sS'CPD-12706'
p18431
S'C(C1(OC(OP([O-])(=O)[O-])C(O)C1O))F'
p18432
sS'TTP'
p18433
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2))'
p18434
sS'CPD-16761'
p18435
S'C=C(C(=O)[O-])C2(C(O)CC1(C)(C(C(O)(C)CCC1)C2))'
p18436
sS'RIBOFLAVIN'
p18437
S'CC1(C=C3(C(=CC(C)=1)N(CC(O)C(O)C(O)CO)C2(C(C(=O)[N-]C(=O)N=2)=N3)))'
p18438
sS'4-ETHYLBENZYL-ALCOHOL'
p18439
S'CCC1(=CC=C(CO)C=C1)'
p18440
sS'HOPAN-22-OL'
p18441
S'CC5(C)(CCCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCC(C(C)(C)O)[CH](CCC(C)12)3)))4))5))'
p18442
sS'LUTEOLIN-7-O-NEOHESPERIDOSIDE'
p18443
S'CC5(OC(OC1(C(C(C(CO)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O)'
p18444
sS'ACET'
p18445
S'CC([O-])=O'
p18446
sS'CYCASIN'
p18447
S'CN(=O)=NCOC1(OC(CO)C(O)C(O)C(O)1)'
p18448
sS'CPD-14039'
p18449
S'CSCCCCCCCC(NO)C([O-])=O'
p18450
sS'CPD-14035'
p18451
S'C=CC(O)(C)CC[CH]1(C(=C)CC[CH]2(C(C)1CCCC(C)(C)2))'
p18452
sS'ESTRONE-SULFATE'
p18453
S'CC23(CC[CH]1(C4(C=CC(OS([O-])(=O)=O)=CC(CC[CH]1[CH](CCC(=O)2)3)=4)))'
p18454
sS'CPD-14037'
p18455
S'CSCCCCCCCCC(N(O)O)C(=O)[O-]'
p18456
sS'CPD-14036'
p18457
S'CSCCCCCCCCC(NO)C(=O)[O-]'
p18458
sS'CPD-15445'
p18459
S'CC(=CCCC([CH]1([CH]3(C(C)(CC1)C4(C)(CC(OC2(C(O)C(O)C(O)C(CO)O2))[CH]5(C(C(O)CCC(C)([CH](CC(O)3)4)5)(C)C)))))(C)OC6(OC(CO)C(O)C(O)C(O)6))C'
p18460
sS'CPD-14033'
p18461
S'CC(=CCO)CC[CH]1(C(=C)CC[CH]2(C(C)1CCCC(C)(C)2))'
p18462
sS'CPD-17049'
p18463
S'C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)'
p18464
sS'CPD-17048'
p18465
S'C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C([O-])=O)[N+])(CO)NC(=O)2))C(C([O-])=O)[N+]'
p18466
sS'CPD-17041'
p18467
S'C[N+](C)(C)C(CC1(=CNC(=[Se])N1))C(=O)[O-]'
p18468
sS'CPD-17043'
p18469
S'C(O)C2(NC(=O)C(CC1(=CC=CC=C1))NC(=O)2)'
p18470
sS'CPD-17042'
p18471
S'C[N+](C)(C)C(CC1(=CNC([Se](=O)CC(C([O-])=O)[N+])=N1))C(=O)[O-]'
p18472
sS'CPD-17045'
p18473
S'C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)'
p18474
sS'CPD-17044'
p18475
S'C[N+](C)(C)C(CC1(=CNC([Se]CC(C([O-])=O)[N+])=N1))C(=O)[O-]'
p18476
sS'CPD-17047'
p18477
S'C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]'
p18478
sS'CPD-17046'
p18479
S'C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p18480
sS'INDOLE-PROPIONATE'
p18481
S'C1(C=CC2(=C(C=1)C(=CN2)CCC(=O)[O-]))'
p18482
sS'CPD-3573'
p18483
S'CC(=O)C(=O)OC'
p18484
sS'CPD-3572'
p18485
S'COC(=O)CCC(=O)[O-]'
p18486
sS'CPD-11870'
p18487
S'COC1(=CC=CC=C1OC(CO)C(O)C2(C=C(OC)C(O)=CC=2))'
p18488
sS'CPD-10488'
p18489
S'C(=O)NC1(C(C(=O)CC([N+])C(=O)[O-])=CC=CC=1)'
p18490
sS'CPD-15363'
p18491
S'CCCCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18492
sS'CPD-13205'
p18493
S'C(C(C(C(C(CO)O)OC1(C(C(C(C(CO)O1)OC2(C(C(C(C(CO)O2)OC3(C(C(C(C(CO)O3)O)O)O))O)O))O)O))O)O)=O'
p18494
sS'ADENOSYL-P4'
p18495
S'C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(OCC4(C(C(C(O4)N6(C=NC5(C(=NC=NC=56)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O'
p18496
sS'DL-6-METHYLTRYPTOPHAN'
p18497
S'CC1(=CC=C2(C(=C1)NC=C2CC(C([O-])=O)[N+]))'
p18498
sS'CPD1G-277'
p18499
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p18500
sS'44-DIMETHYL-CHOLESTA-812-24-TRIENOL'
p18501
S'CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p18502
sS'CPD-18202'
p18503
S'C1(=O)(C([N+])C(S)C(=CS)N1)'
p18504
sS'CPD-18203'
p18505
S'C1(=O)(C([N+])C(S)C(C([O-])=O)(C=S)N1)'
p18506
sS'CPD-18201'
p18507
S'C1(=O)(C(=N)C(S)C(=CS)N1)'
p18508
sS'CPD-14787'
p18509
S'C(O)C(O)C(O)C(O)C(O)COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O'
p18510
sS'CPD-18207'
p18511
S'CC2(C1(C(=O)C3(C(OC=1C=C(OC)C=2)=C(O)C4(C(=O)C(OC)=CC(=O)C(C(O)=3)=4))))'
p18512
sS'CPD-18204'
p18513
S'CCCCCC=CC(C)CCCCCCCCCC(=O)[O-]'
p18514
sS'CPD-14968'
p18515
S'CC(C=CO)=CC=CC=O'
p18516
sS'CPD-14967'
p18517
S'[CH](=O)C(C(=O)[O-])=CC=C(N)C(=O)[O-]'
p18518
sS'CPD-14966'
p18519
S'[CH](=O)C(C(=O)[O-])=CC=C(O)C([O-])=O'
p18520
sS'CPD-16766'
p18521
S'CC2(CCC1(C(OC(=O)C(=C)1)C3(OC(C)(CCC=2)3)))'
p18522
sS'CPD-14964'
p18523
S'[CH](=O)C(=O)C(O)C(O)CO'
p18524
sS'CPD-14963'
p18525
S'C=CC6(C(C)=C2(NC(C=C5(C(C)=C(CC)C(C=C1(NC4(C(=C(C)1)C(=O)C(C(O)=O)C(C3(=NC(=C2)C(C3CCC(=O)[O-])C))=4)))=N5))=6))'
p18526
sS'CPD-14962'
p18527
S'CC5(OC(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(OC)=CC=2))=3)))C(O)C(O)C(O)4))C(O)C(O)C(O)5)'
p18528
sS'CPD-14961'
p18529
S'COC1(C=CC(=CC=1)C2(OC4(C(C(=O)C=2OC3(OC(C(O)C(O)C(O)3)CO))=C(O)C=C(O)C=4)))'
p18530
sS'CPD-14960'
p18531
S'CC6(OC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(OC)=CC=2))=3)))C(OC4(OC(CO)C(O)C(O)C(O)4))C(O)C(O)5))C(O)C(O)C(O)6)'
p18532
sS'D-FUCONATE'
p18533
S'CC(O)C(O)C(O)C(O)C(=O)[O-]'
p18534
sS'SERYL-AMP'
p18535
S'C(O)C([N+])C(=O)OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O'
p18536
sS'1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE'
p18537
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p18538
sS'CPD-16370'
p18539
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(COP(OC3(C(O)C(O)C(O)C(O)C(OC2(OC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))(=O)[O-])C(O)C(O)C(O)2))3))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p18540
sS'CPD0-1242'
p18541
S'C=CC(C)=CC1(SC(O)=C(C)C(=O)1)(C)'
p18542
sS'CPD-9797'
p18543
S'CCCCCCCCCC=CCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCC=CCCCCCCCCC'
p18544
sS'CPD0-1240'
p18545
S'C(F)C(C(=O)[O-])([N+])CCC[N+]'
p18546
sS'CPD-3161'
p18547
S'C1(C=C(O)C=CC=1C3(C(C2(C(=CC(O)=CC(O)=2)OC(O)3))=O))'
p18548
sS'CPD0-1246'
p18549
S'CP([O-])(=O)C1(CC(C(=O)[O-])([N+])CCC1)'
p18550
sS'CPD-15789'
p18551
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(O)4)O)=O)O))=O))O))O)O'
p18552
sS'CPD0-1244'
p18553
S'CC(C)C=CC=CC(C)C1(=NC(=CS1)C2(=NC(=CS2)C=CC(C(C(=CC(N)=O)OC)C)OC))'
p18554
sS'CPD0-1245'
p18555
S'CP([O-])(=O)C(O)CC([N+])C(=O)[O-]'
p18556
sS'CPD-15784'
p18557
S'CCC4(C(O)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)O)[N+](C)C))O)=O)O))=O)))O'
p18558
sS'CPD-15785'
p18559
S'CCC4(C(C(=O)[O-])C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)=O))O))[N+](C)C))O)=O)O))=O)))O'
p18560
sS'CPD-15786'
p18561
S'CCC4(C(O)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)=O))O))[N+](C)C))O)=O)O))=O)))O'
p18562
sS'CPD-15787'
p18563
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)[O-])4)O)=O)O))=O))O))O)O'
p18564
sS'CPD-15780'
p18565
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)OC)4)O)=O)O))=O))O))=O)O'
p18566
sS'CPD-15781'
p18567
S'CC(C([O-])=O)[N+]C(C(=O)[O-])CC[S+](C)C'
p18568
sS'CPD-15782'
p18569
S'CCC(=O)OC'
p18570
sS'CPD-15783'
p18571
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C(=O)OC)4)O)=O)OC))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p18572
sS'6G-KESTOTETRAOSE'
p18573
S'C(C1(OC(C(C1O)O)(OCC2(C(C(O)C(O)C(O2)OC3(OC(C(O)C(O)3)CO)(CO))O))CO))O'
p18574
sS'METHYL-GLYOXAL'
p18575
S'CC([CH]=O)=O'
p18576
sS'ALCOHOL-GROUP'
p18577
S'C([R2])(O)([R3])[R1]'
p18578
sS'CPD0-1385'
p18579
S'Cl(=O)(O)(=O)=O'
p18580
sS'CPD0-2579'
p18581
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC([N+])C([O-])=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R1])C(O)C(NC(=O)C)1))C3(COC(C(NC(=O)C)2)O3)))C([O-])=O)C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC5(C(OC4(OC(CO)C(O[R3])C(O)C(NC(=O)C)4))C(CO)OC(C(NC(=O)C)5)O[R2])'
p18582
sS'S-2-AMINOETHYL-L-CYSTEINE'
p18583
S'C(CSCC(C([O-])=O)[N+])[N+]'
p18584
sS'CPD-4501'
p18585
S'C1(=CN=CN1CC(OCC2(=CC=C(Cl)C=C(Cl)2))C3(=CC=C(Cl)C=C(Cl)3))'
p18586
sS'CPD-15563'
p18587
S'CC1(C(=C(C(=CN=1)COP([O-])(=O)[O-])C([O-])=O)O)'
p18588
sS'CPD-15564'
p18589
S'C4(C=CC3(=C(C2(C1(=C(C=CC=C1C=CC=2)3)))C=4))'
p18590
sS'CPD-15565'
p18591
S'C([O-])(=O)C2(=CC=CC3(C1(C=CC=CC=1C(=O)C2=3)))'
p18592
sS'CPD-15566'
p18593
S'CCCCCCCCCC=CC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p18594
sS'CPD0-881'
p18595
S'CC(OC1(C(C(OC(C1O)COP([O-])([O-])=O)O)NC(=O)C))C([O-])=O'
p18596
sS'CPD-15568'
p18597
S'CCCCCCCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p18598
sS'CPD0-1380'
p18599
S'C([N+]CC(=O)[O-])C1(C=CC=CC=1)'
p18600
sS'CPD0-888'
p18601
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OC1(C(C(O)C(N[CH]=O)CO1)O))C)C)C)C)C)C)C'
p18602
sS'CPD0-889'
p18603
S'C([O-])(=O)CCC([NH]C(=O)C1(C=CC(=CC=1)N))C(=O)[O-]'
p18604
sS'IDP'
p18605
S'C(OP(=O)([O-])OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p18606
sS'CPD-7088'
p18607
S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC(O)=C(C(O)=3)O)'
p18608
sS'CPD-7084'
p18609
S'C(=[N+]C1(C=CC=CC=1))([S-])N'
p18610
sS'PHOSPHO-ENOL-PYRUVATE'
p18611
S'C=C(OP([O-])([O-])=O)C([O-])=O'
p18612
sS'7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU'
p18613
S'C5(OC(OC4(C(O)C(O)C(CO)OC(OC1(C=C(O)C2(C(=O)C=C(OC(C=1)=2)C3(=CC=C(O)C=C3))))4))C(O)C(O)(CO)5)'
p18614
sS'CPD-7081'
p18615
S'CCC3(C[CH]1(C(=O)CC[CH]1C(C(=O)NC2(C(=O)[O-])(C(CC)C2))=C3))'
p18616
sS'CPD-7080'
p18617
S'COC3(C=CC(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC=3)'
p18618
sS'APIGENIN'
p18619
S'C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)'
p18620
sS'CPD-12975'
p18621
S'CCC(=O)CC(=O)CC'
p18622
sS'CPD-12023'
p18623
S'CC(=O)NCCC(=O)C1(C=C(OC)C=CC(N)=1)'
p18624
sS'DIETHYLTHIOPHOSPHATE'
p18625
S'CCOP(=S)([O-])OCC'
p18626
sS'4-OXOPROLINE'
p18627
S'C1(NC(CC(=O)1)C(=O)[O-])'
p18628
sS'CPD-2022'
p18629
S'CCCC(C(=O)[O-])[N+]C(C)C([O-])=O'
p18630
sS'CPD-18325'
p18631
S'C=CC(C24(C(N1(C(=O)C3(C(NC(=O)[CH]1C2)=CC=CC=3)))N(C(=O)C)C5(C4=CC=CC=5)))(C)C'
p18632
sS'MANNOSYL-ETCETERA-D-MANNOSE'
p18633
S'C(O)C4(OC(O)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))3))C(O)C(O)4)'
p18634
sS'CPD-17759'
p18635
S'CC5(=C(C)C(O)=C6(N=C1(C(=O)[N-]C(=O)N=C1N(CC(C(O)C(O)COP(OP([O-])(OCC4(C(O)C(O)C(N3(C=NC2(C(N)=NC=NC=23)))O4))=O)([O-])=O)O)C(=C5)6)))'
p18636
sS'1-SINAPOYL-D-GLUCOSE'
p18637
S'COC2(=CC(C=CC(=O)[O-])=CC(OC)=C(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p18638
sS'C-DI-GMP'
p18639
S'C1(C7(C(OP([O-])(=O)OCC4(C(OP([O-])(=O)O1)C(O)C(N3(C2(N=C(N)NC(=O)C=2N=C3)))O4))C(O)C(N6(C5(N=C(N)NC(=O)C=5N=C6)))O7))'
p18640
sS'CPD-15241'
p18641
S'CC(C)C1(CCC(C)=CCCC(C)=CC(O)1)'
p18642
sS'L-THREONATE'
p18643
S'C(C(C(C(=O)[O-])O)O)O'
p18644
sS'CH4'
p18645
S'C'
p18646
sS'LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE'
p18647
S'C(C5(OC(OC1(C(C(C(C([O-])=O)OC1OC4(C=C3(C(C(C=C(C2(=CC=C(C(=C2)O)O))O3)=O)=C(C=4)O)))O)O))C(C(C5O)O)O))([O-])=O'
p18648
sS'IMINOASPARTATE'
p18649
S'C(=O)([O-])CC(=N)C(=O)[O-]'
p18650
sS'CPD-744'
p18651
S'C1(C3(C(=O)C2(CC(CC1C2)(C3)O)))'
p18652
sS'CPD-745'
p18653
S'C2(C3(CC1(C(=O)OC(CC(C1)2)C3)))'
p18654
sS'CPD-210'
p18655
S'C(CCC(NC(=O)C(CC1(C=CC(=CC=1)O))[N+])C([O-])=O)NC(=[N+])N'
p18656
sS'CPD-211'
p18657
S'C(S)C(C(NCCC(=O)[O-])=O)NC(=O)CCC([N+])C([O-])=O'
p18658
sS'CPD-216'
p18659
S'C([O-])(=O)C([N+])CC1(C=CC=CC=1)'
p18660
sS'CPD-217'
p18661
S'C(C[N+])CC([N+])C([O-])=O'
p18662
sS'CPD-214'
p18663
S'C(OC(NCC([O-])=O)=O)C1(C=CC=CC=1)'
p18664
sS'4-OXOCYCLOHEXANECARBOXYLATE'
p18665
S'C1(CC(=O)CCC1C(=O)[O-])'
p18666
sS'CPD-218'
p18667
S'CSCCC([N+])C([O-])=O'
p18668
sS'CPD-219'
p18669
S'C([N+])CCCC([N+])C([O-])=O'
p18670
sS'CPD-16379'
p18671
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC1(C(O)C(O)C(O)C(O)C(O)1))([O-])=O)C(C(O)CCCCCCCCCCCCCC)O'
p18672
sS'CPD1G-1346'
p18673
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)'
p18674
sS'CPD-12689'
p18675
S'CCCC2(C(NC3(C(O)[CH]1(C=CCCC1))(C(=O)OC23C))=O)'
p18676
sS'DECAPRENOL-PHOSPHATE'
p18677
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])[O-]'
p18678
sS'ARACHIDONYL-COA'
p18679
S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18680
sS'CPD-6021'
p18681
S'C(C(C(C(C(COC1(C(C(C(C(O1)CO)O)O)O))O)O)O)O)O'
p18682
sS'CPD-16149'
p18683
S'CC(Cl)C(=O)[O-]'
p18684
sS'A-24-DIOXOTETRAHYDROPYRIMIDINE-D-RIBONU'
p18685
S'C(C2(OC(N1(C(NC(=O)CC1)=O))C(C(O)2)O))OP([O-])([O-])=O'
p18686
sS'CPD-17232'
p18687
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(CN[CH]=O)=C1))C=C2)'
p18688
sS'CPD-17545'
p18689
S'C([N+])C(C([O-])=O)NC(=O)C1(OC(C(=O)N)1)'
p18690
sS'CPD-8518'
p18691
S'CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC'
p18692
sS'CPD-17547'
p18693
S'C3(C=C2(C(C=C1(OCOC1=C2))=CC=3))'
p18694
sS'CPD-17236'
p18695
S'CC(=O)NCC1(OC=C(C=1)COC2(=CC=C(CCNC(=O)CCC(NC(=O)CCC(NC(=O)CCC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2))'
p18696
sS'CPD-8049'
p18697
S'COC1(C(C(C(C(C1O)O)O)OC2(OC(C(C(C2O)O)O)COC3(C(C(C(C(O3)CO)O)O)O)))O)'
p18698
sS'CPD-17234'
p18699
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(CN[CH]=O)=C1))C=C2)'
p18700
sS'CPD-17235'
p18701
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CC(NC(CC(C(NC(CCC(NC(CCC(NC(CCC([O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)C(=O)[O-])=O)O)=O)C([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(CN[CH]=O)=C1))C=C2)'
p18702
sS'CPD-8512'
p18703
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p18704
sS'CPD-8513'
p18705
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p18706
sS'CPD-17238'
p18707
S'CC(=O)NCC1(OC=C(C=1)COC2(=CC=C(CCNC(=O)CCC(NC(=O)CCC(NC(=O)C(O)CC(C(C([O-])=O)CCC([O-])=O)C(=O)[O-])C(=O)[O-])C(=O)[O-])C=C2))'
p18708
sS'CPD-3767'
p18709
S'CCCCCCCCCCCCCCCCCC(=O)OCCOCC(C1(C(C(CO1)OCCOC)OCCOC))OCCOC'
p18710
sS'CPD-8516'
p18711
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p18712
sS'CPD-8517'
p18713
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO'
p18714
sS'CPD-8042'
p18715
S'C(O)([O-])=S'
p18716
sS'CYCLOHEXANONE'
p18717
S'C1(CCC(CC1)=O)'
p18718
sS'CPD-13434'
p18719
S'C(O)C1(C(O)C(C(O)C(O)O1)OC2(O[CH]6(CO[CH](C(O)2)C(OC3(OC(C(O)C(C(O)3)OC5(O[CH]4(CO[CH](C4O)C(O)5)))CO))6)))'
p18720
sS'CPD-13435'
p18721
S'C(O)C1(C(O)C(C(O)C(O1)OC3([CH]2(CO[CH](C(O)C(O2)O)3)))OC5(O[CH]4(CO[CH](C4O)C(O)5)))'
p18722
sS'CPD-13436'
p18723
S'C(O)C1(C(O)C(C(O)C(O)O1)OC2(O[CH]3(CO[CH](C(O)2)C3OC4(OC(C(O)C(C(O)4)OC5(O[CH]9(CO[CH](C(O)5)C(OC6(OC(C(O)C(C(O)6)OC8(O[CH]7(CO[CH](C7O)C(O)8)))CO))9)))CO))))'
p18724
sS'CPD-13437'
p18725
S'C(O)C1(C(O)C(C(O)C(O1)OC6([CH]2(CO[CH](C(O)C(O2)OC5(C(O)C(CO)OC(OC4([CH]3(CO[CH](C(O)C(O3)O)4)))C(O)5))6)))OC8(O[CH]7(CO[CH](C7O)C(O)8)))'
p18726
sS'CPD-13430'
p18727
S'C1(O[CH]2(C([CH]1OC(C(O)2)O)O))'
p18728
sS'CPD-13431'
p18729
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)O)))'
p18730
sS'CPD-13432'
p18731
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)OC4(C(O)C(CO)OC(C(O)4)O))))'
p18732
sS'CPD-13433'
p18733
S'C(O)C1(C(O)C(C(O)C(O1)O)OC3(O[CH]2(CO[CH](C2O)C(O)3)))'
p18734
sS'CPD-13438'
p18735
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)OC4(C(O)C(CO)OC(C(O)4)OC9([CH]5(CO[CH](C(O)C(O5)OC6(C(O)C(CO)OC(C(O)6)OC8([CH]7(CO[CH](C(O)C(O7)O)8))))9))))))'
p18736
sS'CPD-13439'
p18737
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)OC4(C(O)C(CO)OC(C(O)4)OC7([CH]5(CO[CH](C(O)C(O5)OC6(C(O)C(CO)OC(C(O)6)O))7))))))'
p18738
sS'CPD-15265'
p18739
S'C1(=CC=C2(C(=C1)C(=CN2)C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O)))'
p18740
sS'CPD-11690'
p18741
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O'
p18742
sS'CPD-11691'
p18743
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(CCCCCCCC=CCCCCCCCC)=O)COC(CCCCCCCC=CCCCCCCCC)=O'
p18744
sS'CPD-11696'
p18745
S'C1(OP([O-])([O-])=O)(C(OP([O-])([O-])=O)C(OP([O-])(=O)[O-])C(OP(=[O-])(=O)OP([O-])(=O)[O-])C(OP(=O)(OP([O-])(=O)[O-])[O-])C(OP(=O)([O-])[O-])1)'
p18746
sS'5-ETHYLTHIOADENOSINE'
p18747
S'CCSCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p18748
sS'ACETYL-P'
p18749
S'CC(OP([O-])(=O)[O-])=O'
p18750
sS'CPD-17541'
p18751
S'CC(C)CC(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p18752
sS'IMIDAZOLE-LACTATE'
p18753
S'C1(=C(CC(O)C([O-])=O)NC=N1)'
p18754
sS'GLYCOSYL-N-ACYLSPHINGOSINE'
p18755
S'CCCCCCCCCCCCCCCCCC=CC(O)C(COC1(OC(CO)C(O)C(O)C(O)1))NC(=O)[R]'
p18756
sS'LAUROYLCOA-CPD'
p18757
S'CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18758
sS'CPD0-1265'
p18759
S'C(=O)([O-])CCCCCCCC(=O)[O-]'
p18760
sS'TAURINE'
p18761
S'C(S(=O)(=O)[O-])C[N+]'
p18762
sS'CPD-12479'
p18763
S'CN2(C1(=C(NC=N1)C(=O)N(C)C(=O)2))'
p18764
sS'FECOSTEROL'
p18765
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p18766
sS'CPD-15316'
p18767
S'CC(OCC=CC1(C=CC=CC=1))=O'
p18768
sS'CPD-15315'
p18769
S'COC(C1(C(=CC=CC=1)N))=O'
p18770
sS'CPD-16502'
p18771
S'C(S(=O)(=O)[O-])C1(OC(O)(COP([O-])(=O)[O-])C(O)C(O)1)'
p18772
sS'Alpha-lactose'
p18773
S'C(C1(OC(C(C(C1O)O)O)OC2(C(CO)OC(C(C2O)O)O)))O'
p18774
sS'2-3-DIHYDROXYBENZOATE'
p18775
S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p18776
sS'DELTA3-ISOPENTENYL-PP'
p18777
S'C=C(C)CCOP([O-])(=O)OP([O-])(=O)[O-]'
p18778
sS'CPD-10017'
p18779
S'CC(C(=O)NC(C([O-])=O)CCC(=O)NC(C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN6(C1(C(C(=O)NC(=O)N=1)=CC5(=CC=C(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)C=C56)))'
p18780
sS'CPD-10016'
p18781
S'C=CCC3(C(=O)CC(O)C(C(C(C)=CC1(CCC(O)C(OC)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(C)=C3)C(OC)CC(C)4)))C)'
p18782
sS'CPD-7869'
p18783
S'CCCCCCCCCCCCCCCCCCCCO'
p18784
sS'N-ACETYL-9-O-ACETYLNEURAMINATE'
p18785
S'CC(NC1(C(CC(O)(C(=O)[O-])OC1C(C(COC(=O)C)O)O)O))=O'
p18786
sS'CPD-10013'
p18787
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP(=O)([O-])C)[N+]'
p18788
sS'CPD-10012'
p18789
S'C([N+])CC[N+]CCCC([N+])C([O-])=O'
p18790
sS'CPD-10011'
p18791
S'C([O-])(=O)C([N+])CC[PH](=O)[O-]'
p18792
sS'CPD-7863'
p18793
S'C(O)C5(OC(OC1(C(O)=C(O)C=C(C=1)C3(C(OC2(C(O)C(O)C(O)C(COC(=O)CC([O-])=O)O2))=CC4(=C([O+]=3)C=C(O)C=C([O-])4))))C(O)C(O)C(O)5)'
p18794
sS'CPD-7862'
p18795
S'C(OC(CC(=O)[O-])=O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(=CC(O)=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))'
p18796
sS'CPD-7861'
p18797
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(CC2(C)C)O)C)'
p18798
sS'CPD-7860'
p18799
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)'
p18800
sS'CPD-7867'
p18801
S'CCCCCCCCCCCCO'
p18802
sS'CPD-7866'
p18803
S'C(OC(=O)C=CC1(C=CC(O)=CC=1))C5(C(O)C(O)C(O)C(OC3(C(C2(C=CC(O)=C(O)C=2))=[O+]C4(=C(C=3)C([O-])=CC([O-])=C4)))O5)'
p18804
sS'CPD-7865'
p18805
S'CC%14(C(C(C(C(OC%13(C=CC(C=CC(OCC%12(C(C(C(C(OC%11(C=CC(C=CC(OCC%10(C(C(C(C(OC4(=CC(C2(=OC1(=CC(=CC(=C1C=C2OC3(OC(C(C(C3O)O)O)COC(CC(=O)O)=O))O)O)))=CC(=C4O)OC5(OC(C(C(C5O)O)O)COC(=O)C=CC6(C=CC(=CC=6)OC7(OC(C(C(C7O)O)O)OC(=O)C=CC8(C=CC(=CC=8)OC9(OC(C(C(C9O)O)O)C)))))))O%10)O)O)O))=O)=CC=%11))O%12)O)O)O))=O)=CC=%13))O%14)O)O)O)'
p18806
sS'CPD-7864'
p18807
S'C(O)C6(OC(OC2(C(O)=C(OC1(C(O)C(O)C(O)C(CO)O1))C=C(C=2)C4(C(OC3(C(O)C(O)C(O)C(COC(CC(=O)[O-])=O)O3))=CC5(C([O+]=4)=CC([O-])=CC([O-])=5))))C(O)C(O)C(O)6)'
p18808
sS'CPD-12785'
p18809
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC6(OC(CO)C(OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(O)C(OC3(OC(C([O-])=O)C(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)3))4))C(O)5))C(O)C(O)6))C)C)C)C)C)C)C'
p18810
sS'5-HYDROXY-PIPECOLATE'
p18811
S'C1(C(CCC(C(=O)[O-])[N+]1)O)'
p18812
sS'CPD-18001'
p18813
S'CC#CC#CC=C1(C=CC2(O1)(CCCO2))'
p18814
sS'QUINOLIN-21H-ONE'
p18815
S'C1(=O)(NC2(C(C=C1)=CC=CC=2))'
p18816
sS'CPD-12348'
p18817
S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(OC)=CC(OC)=C1)'
p18818
sS'CPD-10279'
p18819
S'CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p18820
sS'CPD-10272'
p18821
S'CCC(C)C(N(O)O)C([O-])=O'
p18822
sS'CPD-10271'
p18823
S'CCC(C)C(NO)C([O-])=O'
p18824
sS'CPD-10277'
p18825
S'CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C'
p18826
sS'CPD-10275'
p18827
S'CCC(C)C#N'
p18828
sS'CPD-10274'
p18829
S'CCC(C)C=NO'
p18830
sS'CPD-9837'
p18831
S'C3(=CC1(=C(C(OC)=CC2(=C1OC(C=C2)=O))O3))'
p18832
sS'CPD-9834'
p18833
S'COC1(C(OC)=C3(C(=C2(C=1OC=C2))OC(C=C3)=O))'
p18834
sS'CPD-9835'
p18835
S'C=CC4(C[N+]3(CCC(CC(C(O)C2(=CC=NC1(=C(C=CC=C1)2)))3)4))'
p18836
sS'CPD-9832'
p18837
S'C=CC4(CN3(CCC(CC(C(=O)C2(=CC=CC1(=C(C=C(OC)C=C1)2)))3)4))'
p18838
sS'CPD-9833'
p18839
S'C=CC4(CN3(CCC(CC(C(=O)C2(C1(C=CC=CC=1N=CC=2)))3)4))'
p18840
sS'D-aspartate-peptidoglycan'
p18841
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCCNC(CC([N+])C([O-])=O)=O)C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p18842
sS'ISOBUTANOL'
p18843
S'CC(C)CO'
p18844
sS'CPD-9838'
p18845
S'CC(=CCC1(C(=CC=C2(C=1OC(=O)C=C2))O))C'
p18846
sS'CPD-9839'
p18847
S'[CH](=O)C=CCCCCCCCCC([O-])=O'
p18848
sS'CPD-19036'
p18849
S'CCCCC1(OC1)'
p18850
sS'HAEMATOPORPHYRIN-IX'
p18851
S'CC1(C2(C=C5(C(C)=C(C(C)O)C(=CC4(=C(C)C(C(C)O)=C(C=C3(C(C)=C(CCC(=O)[O-])C(C=C(C(CCC(=O)[O-])=1)N=2)=N3))N4))N5)))'
p18852
sS'D-GLUCURONOLACTONE'
p18853
S'C1(=O)(C(O)C(O)[CH](C(O)C=O)O1)'
p18854
sS'5-AMINOPENTANOATE'
p18855
S'C(CC[N+])CC(=O)[O-]'
p18856
sS'SIROHEME'
p18857
S'CC4(CC(=O)[O-])(C(CCC(=O)[O-])C6(=CC8(=C(CC([O-])=O)C(CCC(=O)[O-])=C7(N([Fe--]25([N+]1(C(C(CCC([O-])=O)=C(CC(=O)[O-])C=1C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(N23)=CC4=[N+]56))=C7)))8))))'
p18858
sS'CAMP'
p18859
S'C1(OP(=O)([O-])OC2(C(O)C(OC12)N4(C=NC3(C(N)=NC=NC=34))))'
p18860
sS'CPD-15444'
p18861
S'CC(=CCCC([CH]1([CH]4(C(C)(CC1)C5(C)(CC(OC3(C(OC2(C(O)C(O)C(O)C(C)O2))C(O)C(O)C(CO)O3))[CH]6(C(C(O)CCC(C)([CH](CC(O)4)5)6)(C)C)))))(C)O)C'
p18862
sS'CPD-19035'
p18863
S'C1(OC1C2(=CC=CC=C2))'
p18864
sS'CPD-18019'
p18865
S'C1(O)(NC(=O)N=C(N)C(O)=1)'
p18866
sS'CPD-18018'
p18867
S'C1(O)(=C(O)C(NC(=O)N1)=O)'
p18868
sS'CPD-18017'
p18869
S'C1(=C(O)C(NC(=O)N1)=O)'
p18870
sS'CPD-18016'
p18871
S'C1(=C(O)C(N)=NC(=O)N1)'
p18872
sS'INDOLE-3-GLYCOLATE'
p18873
S'C2(=C(C1(C=CC=CC=1N2))C(O)C(=O)[O-])'
p18874
sS'CPD-18014'
p18875
S'CC1(CNC(=O)NC(=O)1)(O)'
p18876
sS'CPD-18013'
p18877
S'C1(C(O)C(NC(=O)N1)=O)(O)'
p18878
sS'CPD-18012'
p18879
S'CC1(O)(C(O)NC(=O)NC(=O)1)'
p18880
sS'TESTOSTERONE'
p18881
S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CCC3=CC(=O)CC4))'
p18882
sS'CPD-17841'
p18883
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C'
p18884
sS'CPD-17840'
p18885
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C)C)C)C)C'
p18886
sS'CPD-17843'
p18887
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C'
p18888
sS'CPD-17842'
p18889
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C'
p18890
sS'CPD-17845'
p18891
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C'
p18892
sS'16-ALPHA-HYDROXYPROGESTERONE'
p18893
S'CC(=O)C1(C(O)C[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p18894
sS'CPD-17847'
p18895
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C)C)C'
p18896
sS'CPD-17846'
p18897
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C)C)C)C'
p18898
sS'CPD-17849'
p18899
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C)C'
p18900
sS'CPD-17848'
p18901
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OP(=O)([O-])[O-])[O-])C)C)C)C)C)C)C'
p18902
sS'1-3-7-TRIMETHYLXANTHINE'
p18903
S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p18904
sS'UDP-MANNAC'
p18905
S'CC(=O)NC3(C(O)C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))3)'
p18906
sS'CPD-15995'
p18907
S'CCC1(C(C)C=CC(C(C)CC(C)C(C(C)C(C(C(=O)O1)C)=O)O)=O)'
p18908
sS'CPD-15997'
p18909
S'CC1(C=CC(C(C)CC(C)C(C(C)C(C(C(=O)OC(C(C)O)1)C)=O)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)'
p18910
sS'CPD-15996'
p18911
S'CC1(C(C=CC(O)(C)C(C(C)O)OC(C(C)C(C(C)C(C(C)C1)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)=O)=O)'
p18912
sS'CPD-15999'
p18913
S'C1(=O)(NC(=O)C(O)C(=O)N1)'
p18914
sS'PUROMYCIN'
p18915
S'C1(N=C(C2(N=CN(C(N=1)=2)C4(OC(CO)C(NC(=O)C([N+])CC3(=CC=C(C=C3)OC))C(O)4)))N(C)C)'
p18916
sS'CPD-13006'
p18917
S'C1(C=CC(=CC=1)CC(=NOS(=O)(=O)[O-])[S-])'
p18918
sS'N-ACETYL-L-2-AMINO-6-OXO-PIMELATE'
p18919
S'CC(=O)NC(CCCC(=O)C(=O)[O-])C(=O)[O-]'
p18920
sS'N-ACETYL-AAA-SEMIALDEHYDE'
p18921
S'CC(=O)NC(CCCC=O)C(=O)[O-]'
p18922
sS'BIO-5-AMP'
p18923
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])(=O)OC(=O)CCCCC4(SC[CH]5(NC(=O)N[CH]45))'
p18924
sS'CPD-5001'
p18925
S'C=C4(CC13(CC(CC[CH](C2(C)(CCCC(C)(C(=O)[O-])[CH](C(O)C(O)1)2))3)4))'
p18926
sS'GUAZATINE'
p18927
S'C(CCCCCCCNC(N)=[N+])[N+]CCCCCCCCNC(N)=[N+]'
p18928
sS'CPD-10433'
p18929
S'CN4(CC[N+](CCCN1(C3(=C(SC2(=C1C=CC=C2))C=CC(Cl)=C3)))CC4)'
p18930
sS'CPD-15199'
p18931
S'CC1(OC(C(C1O)O)OP([O-])([O-])=O)'
p18932
sS'CPD-10633'
p18933
S'C1(=CC(=O)OC(=C(Cl)C(=O)[O-])1)'
p18934
sS'CPD-17070'
p18935
S'CC1(=C8(C=C4(C(C)=C(CCC([O-])=O)C5(C=C3(C(CCC([O-])=O)=C(C)C2(=CC7(C(CCC(=O)[O-])=C(C)C6(=CC(=C(CCC([O-])=O)1)N([Fe--](N23)([N+]4=5)[N+]6=7)8))))))))'
p18936
sS'CPD-8879'
p18937
S'CC(CC(C)=O)=O'
p18938
sS'CPD-8878'
p18939
S'CCC(=O)OC1(=C([N+](=O)[O-])C=C([N+](=O)[O-])C=C1)'
p18940
sS'CPD0-1059'
p18941
S'CC(C(C(=O)[O-])[N+]C)C'
p18942
sS'CPD0-1057'
p18943
S'C1(SC(CCCCC(=O)[O-])C([N+])C(N)1)'
p18944
sS'CPD-8874'
p18945
S'CC(CS([O-])(=O)=O)=O'
p18946
sS'CPD-15193'
p18947
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=CC=C(OC)C(N)=1)'
p18948
sS'CPD-8876'
p18949
S'CCCCCCCCCCCCOS([O-])(=O)=O'
p18950
sS'CPD0-1053'
p18951
S'C(C2(C(C(C(N1(C(NC(C=C1)=O)=O))O2)O)O))OP(OP(OC3(C(C(C(C(CO)O)O3)F)O))([O-])=O)([O-])=O'
p18952
sS'CPD-15194'
p18953
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)O)'
p18954
sS'CPD-8873'
p18955
S'CC(=O)CP(=O)(O)[O-]'
p18956
sS'CPD-8872'
p18957
S'C(CNC(C(CSC(C(C1(C=CC=CC=1))O)=O)NC(CCC(C(=O)[O-])[N+])=O)=O)([O-])=O'
p18958
sS'ESTRIOL-16A-GLUCURONIDE'
p18959
S'CC25(C(O)C(CC(C3(CCC4(=CC(OC1(CC(C(O)C(C([O-])=O)O1)O))=CC=C(C(CC2)3)4)))5)O)'
p18960
sS'CORYDALINE'
p18961
S'CC2(C4(=CC=C(OC)C(OC)=C(CN3(CCC1(C=C(OC)C(=CC=1C23)OC)))4))'
p18962
sS'PHENYLACETONITRILE'
p18963
S'C1(C=CC(=CC=1)CC#N)'
p18964
sS'SPHINGOSINE'
p18965
S'CCCCCCCCCCCCCC=CC(O)C([N+])CO'
p18966
sS'HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE'
p18967
S'C1(C=C(C=CC(O)=1)OC2(OC(CO)C(O)C(O)C(O)2))'
p18968
sS'CPD-18585'
p18969
S'CCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C([O-])=O'
p18970
sS'2CH2-3CH3-SUCC'
p18971
S'C=C(C(C)C(=O)[O-])C(=O)[O-]'
p18972
sS'CPD0-1932'
p18973
S'CN2(C(N)=NC1(N=CNC=1C(=O)2))'
p18974
sS'CPD-18000'
p18975
S'C3(COC2(C(=C(C1(SC=CC=1))C(=O)C2)C3))'
p18976
sS'CPD-15229'
p18977
S'CC3(O)(COC(OC2(C(O)C(OC1(OC(C[N+])C(O)C(OP([O-])(=O)[O-])C([N+])1))C([N+])CC([N+])2))C(O)C([N+]C)3)'
p18978
sS'CPD-15228'
p18979
S'C=C1(C(=O)OCC1)'
p18980
sS'CPD-15227'
p18981
S'C=C(CCO)C(=O)OCC1(C(O)C(O)C(O)C(O)O1)'
p18982
sS'CPD-12506'
p18983
S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(OC)=N2))'
p18984
sS'CPD-12505'
p18985
S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(=O)N(C)2))'
p18986
sS'CPD-15224'
p18987
S'C1(C7(C(O)C(OP([O-])(=O)OCC4(C(OP([O-])(=O)O1)C(O)C(N3(C2(N=CN=C(N)C=2N=C3)))O4))C(N6(C5(N=C(N)NC(=O)C=5N=C6)))O7))'
p18988
sS'CPD-12503'
p18989
S'C(C2(C(C(C(N1(C=NC(C(N)=O)=C1O))O2)O)O))OP(=O)([O-])[O-]'
p18990
sS'CPD-15222'
p18991
S'CC(C=CC=C(C)C=O)=CC=CC=O'
p18992
sS'CPD-12501'
p18993
S'CC(C(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(=O)OCC(C(CC2)3)4)O)O)C))(C)))C)O)O)C)CO'
p18994
sS'CPD-12500'
p18995
S'CC(C(C(C(C(C2(C3(CCC4(C1(CC(C(C[CH]1C(CC(C(CC2)3)4)=O)O)O)C))(C)))C)O)O)C)CO'
p18996
sS'CPD-7698'
p18997
S'CC1(C=CC(SC)=CC=1)'
p18998
sS'CPD-7699'
p18999
S'C([N+])COCC([N+])C(=O)[O-]'
p19000
sS'2-HYDROXY-23-DIHYDRODAIDZEIN'
p19001
S'C3(=CC(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=C(C=C3O)O)'
p19002
sS'GLC-D-LACTONE'
p19003
S'C(O)C1(OC(C(C(C1O)O)O)=O)'
p19004
sS'CPD-7690'
p19005
S'C(=O)([O-])C([N+])CCC(C([N+])C(=O)[O-])O'
p19006
sS'5-PHOSPHORIBOSYL-45-AMINOIMIDAZOLE'
p19007
S'C2(N(C1(C(C(C(O1)COP(=O)([O-])[O-])O)O))C(=C([N+]=2)N)N)'
p19008
sS'BIS-GERANYLGERANYLGLYCEROL-PHOSPHATE'
p19009
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP([O-])([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p19010
sS'CPD-7695'
p19011
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p19012
sS'CPD-7697'
p19013
S'CC1(C=CC(=CC=1)Cl)'
p19014
sS'CPD-16558'
p19015
S'CC6(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C5(=C(C=3)C([O-])=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))O6)'
p19016
sS'CPD-16559'
p19017
S'CC7(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C6(C(C=3)=C([O-])C=C(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))C=6))))O7)'
p19018
sS'CPD-18456'
p19019
S'CC1(C(C(C(NC(C)=O)C(O)O1)O)NC(=O)C)'
p19020
sS'S-CITRAMALATE'
p19021
S'CC(O)(C(=O)[O-])CC(=O)[O-]'
p19022
sS'CPD-16551'
p19023
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)O1)'
p19024
sS'CPD-16552'
p19025
S'Cl[Cu]Cl'
p19026
sS'CPD-16554'
p19027
S'C(O)C2(C(O)C(O)C(O)C(OC1(C(CO)OC(O)C(O)C(O)1))O2)'
p19028
sS'CPD-14136'
p19029
S'C([O-])(=O)C1(C=CC(C([O-])=O)=NC=1)'
p19030
sS'CPD-12648'
p19031
S'CCCCCC=CCC=CCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19032
sS'CPD-9231'
p19033
S'CC(C1(C(N2(C(C(=O)O)=C(CC12)SCCN=CN))=O))O'
p19034
sS'L-XYLULOSE-5-P'
p19035
S'C(O)C(=O)C(O)C(O)COP(=O)([O-])[O-]'
p19036
sS'CPD-9233'
p19037
S'COC1(C(N2(C(C(=O)[O-])=C(COC(N)=O)CSC12))=O)NC(CC3(=CC=CS3))=O'
p19038
sS'CPD-9234'
p19039
S'C1(=CSC(=C1)CC(NC3(C(N4(C(C(=O)[O-])=C(C=CC2(C=CC(=CC=2[N+]([O-])=O)[N+](=O)[O-]))CSC34))=O))=O)'
p19040
sS'CPD-9235'
p19041
S'CC1(C(C(N1S(=O)(=O)[O-])=O)NC(C(C2(=CSC(N)=N2))=NOC(C(=O)[O-])(C)C)=O)'
p19042
sS'15-ANHYDRO-D-FRUCTOSE'
p19043
S'C(C1(C(C(C(CO1)=O)O)O))O'
p19044
sS'CPD-3642'
p19045
S'CC(C)C([N+])C([O-])=O'
p19046
sS'CPD-9587'
p19047
S'CC1(C(O)C(O)C(O)C(O1)OC5(C(C4(=C(O)C3(=C(OC(C2(=CC=C(O)C(O)=C2))=CC3=O)C=C([O-])4)))OC(CO)C(O)C(O)5))'
p19048
sS'CPD-9584'
p19049
S'C2(=C(CC(NC(CC1(C=CC=CC=1))C(=O)[O-])=O)C3(C=CC(=CC(N2)=3)O))'
p19050
sS'CPD0-1465'
p19051
S'C(C3(C(C(C(N2(C=NC1(C(N)=NC=NC=12)))O3)O)O))OP(=O)([O-])OP(CP(=O)([O-])O)(=O)[O-]'
p19052
sS'CPD-9582'
p19053
S'C2(=C(CC(NC(CC1(C=CC=CC=1))C(=O)[O-])=O)C3(C=CC=CC(N2)=3))'
p19054
sS'CPD-12645'
p19055
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CS(=O)(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19056
sS'CPD-12646'
p19057
S'CCCCCC=CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19058
sS'CPD0-1461'
p19059
S'C(OC(=O)C1(C=CC(S(F)(=O)=O)=CC=1))C2(C(O)C(O)C(O2)N4(C=NC3(=C(N)N=CN=C34)))'
p19060
sS'CPD-18451'
p19061
S'CC1(C=CC(=CC(OC)=1)C([O-])=O)'
p19062
sS'RETINOATE'
p19063
S'CC(=CC=CC(C)=CC(=O)[O-])C=CC1(=C(C)CCCC(C)(C)1)'
p19064
sS'CPD-10866'
p19065
S'C1(C=C(Cl)C(=CC=1)O)'
p19066
sS'CPD-10867'
p19067
S'C1(=C(Cl)C=C(Br)C(=C1)O)'
p19068
sS'CPD-10864'
p19069
S'C1(=CC(Cl)=C(Cl)C(=C1)O)'
p19070
sS'CPD-8726'
p19071
S'C=CC1(C)(CC2(=CCC3(C(C)(CO)CCCC(C)(C(CC1)2)3)))'
p19072
sS'CPD-8721'
p19073
S'CC(C)C1(=CC=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))'
p19074
sS'CPD-10860'
p19075
S'C1(=CC(Cl)=C(C=C(Cl)1)C(=O)[O-])'
p19076
sS'CPD-8722'
p19077
S'CC(C3(=CC=C2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p19078
sS'CPD-7526'
p19079
S'CC(=CCCC(=CCCC(C)=CC=CC(=CC=CC=C(C=CC=C(C)CCC=C(CCC=C(C)C)C)C)C)C)C'
p19080
sS'CPD-16020'
p19081
S'C(C3(C(CC(N2(C1(=C(C(=NC(=O)N1)N)N=C2)))O3)O))O'
p19082
sS'CPD-7524'
p19083
S'CC(=CCCC(=CC=CC(C)=CC=CC(=CC=CC=C(C=CC=C(C)CCC=C(CCC=C(C)C)C)C)C)C)C'
p19084
sS'STREPTOMYCIN'
p19085
S'CC3(OC(OC1(C(O)C(O)C(NC(N)=[N+])C(O)C(NC(N)=[N+])1))C(OC2(OC(CO)C(O)C(O)C([N+]C)2))C(O)(C=O)3)'
p19086
sS'CPD-2002'
p19087
S'CC5(C(C(NCCCN(CCCNC(C1(=CC=CC(=C1O)O))=O)C(C3(C(C)OC(C2(=CC=CC(=C2O)O))=N3))=O)=O)N=C(C4(=CC=CC(=C4O)O))O5)'
p19088
sS'CPD-8728'
p19089
S'C=CC1(C)(CC2(=CCC3(C(C)(C=O)CCCC(C)(C(CC1)2)3)))'
p19090
sS'CPD-10868'
p19091
S'C1(=CC(Cl)=CC(=C1)O)'
p19092
sS'CPD-19037'
p19093
S'CC(O)(C)[CH]=O'
p19094
sS'ALPHA-D-GLUCOSYLPOLYGLYCEROL-PHOSPHATE'
p19095
S'C(O)C3(C(O)C(O)C(O)C(OC(COP(=O)([O-])OCC(OC1(OC(CO)C(O)C(O)C(O)1))COP(=O)([O-])OCC(OC2(OC(CO)C(O)C(O)C(O)2))COP(=O)([O-])[O-])CO[R])O3)'
p19096
sS'CPD1G-130'
p19097
S'CC3(=C(C)N4(C(CSCC(NC(C)=O)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO))=C(C)C(=O)N(C(=O)3)4))'
p19098
sS'CPD-16888'
p19099
S'C(O)C1(C(O)C(O)C(O)C(O)[N+]1)'
p19100
sS'CPD-16889'
p19101
S'C1(O)([N+]C(CO)C(O)C(O)C(O)1)'
p19102
sS'CPD-16886'
p19103
S'C(O)C(O)C(O)C(O)C([N+])CO'
p19104
sS'CPD-16887'
p19105
S'C(=O)C(O)C(O)C(O)C([N+])CO'
p19106
sS'CPD-16884'
p19107
S'C([N+]=C(N)N)CCCCCC[N+]'
p19108
sS'CPD-16885'
p19109
S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)C([N+])CO'
p19110
sS'2-CL-5-OXO-2-5-DIH-FURAN-2-ACETATE'
p19111
S'C([O-])(=O)CC1(Cl)(OC(=O)C=C1)'
p19112
sS'CPD-16883'
p19113
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)O)OC2(OC(CO)C(O)C(O)C(O)2))NC(C)=O))C)C)C)C)C)C)C'
p19114
sS'CPD-16880'
p19115
S'CC(=O)NC1(C(O)OC(CO)C(OC(C)=O)C(O)1)'
p19116
sS'CPD-16881'
p19117
S'CC(=O)NC3(C(CC(C(=O)[O-])(OP(=O)([O-])OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))O[CH]3C(OC(C)=O)C(O)CO)O)'
p19118
sS'CPD-9055'
p19119
S'C(O)C(O)C1(C(O)C(=O)C(O)O1)'
p19120
sS'CPD-9056'
p19121
S'C(=O)C1(O)(C(O)C(O)C(O)CO1)'
p19122
sS'CPD-9057'
p19123
S'CCCCCCCO'
p19124
sS'CPD-9051'
p19125
S'C(O)C([N+])C(C(C(COP(=O)([O-])[O-])O)O)O'
p19126
sS'CPD-9052'
p19127
S'[CH](=O)CCC[CH]=O'
p19128
sS'CPD-9053'
p19129
S'CCCC[CH]=O'
p19130
sS'CYCLOPENTANOL'
p19131
S'C1(CCC(C1)O)'
p19132
sS'CPD-9059'
p19133
S'C(=O)C1(C=CC=CC([N+](=O)[O-])=1)'
p19134
sS'CPD-19039'
p19135
S'CC(C)CC(C)(C)C'
p19136
sS'CPD-7970'
p19137
S'C(C(=NNC1(C=C(C=CC=1)Cl))C#N)#N'
p19138
sS'L-HISTIDINOL-P'
p19139
S'C1(NC=NC=1CC(COP([O-])(=O)[O-])[N+])'
p19140
sS'CPD-17859'
p19141
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)O)NC(C)=O))[O-])C'
p19142
sS'GUANINE'
p19143
S'C2(=NC1(=C(N=C(NC(=O)1)N)N2))'
p19144
sS'CPD-17689'
p19145
S'CC(CCC(=CCl)CCCC#CBr)C=CCCC(=O)NCCC(OC)=CC(=O)N1(C(C)C=CC(=O)1)'
p19146
sS'CPD-17688'
p19147
S'CC(=CC([O-])=O)C=CC1(O)(C(CO)=CC(=O)CC(C)(C)1)'
p19148
sS'CPD-17683'
p19149
S'C(N)(=O)C1(C=CC=CC=1)'
p19150
sS'CPD-17682'
p19151
S'CNN'
p19152
sS'CPD-17681'
p19153
S'CN(C=O)N'
p19154
sS'CPD-17680'
p19155
S'CC=NN(C)[CH]=O'
p19156
sS'CPD-17687'
p19157
S'CC(C(O)(CN1(N=CN=C1))CCC2(C=CC(Cl)=CC=2))(C)C'
p19158
sS'CPD-17686'
p19159
S'C=CCCCC([O-])=O'
p19160
sS'VALIDAMYCIN-A'
p19161
S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)OC3(OC(C(C(C3O)O)O)CO))O)O))O)O)O))O'
p19162
sS'CPD-17372'
p19163
S'C(O)CCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p19164
sS'NITRAPYRIN'
p19165
S'C1(C=C(Cl)N=C(C=1)C(Cl)(Cl)Cl)'
p19166
sS'CPD-13599'
p19167
S'CSC1(SC2(=C(CN=1)C3(=C(N2)C=CC=C3)))'
p19168
sS'CPD66-64'
p19169
S'CCC=CCC(O)C=CC=CC=CC=CC(O)C(O)CC=CCCC(=O)[O-]'
p19170
sS'OXIDIZED-DITHIOTHREITOL'
p19171
S'C1(SSCC(O)C(O)1)'
p19172
sS'CPD-8186'
p19173
S'C2(C1(=C(OC(=O)C=C1)C=C(O)C=2))'
p19174
sS'CPD-13593'
p19175
S'C1(NC2(=C(C(P([O-])([O-])=O)=1)C(Cl)=C(Br)C=C2))'
p19176
sS'CPD-8168'
p19177
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p19178
sS'CPD-13597'
p19179
S'C1(C(=C(C(S([O-])(=O)=O)=CC(S([O-])(=O)=O)=1)O)O)'
p19180
sS'CPD-13595'
p19181
S'CCCCCCCCCCCCCCCC[N+](C)(C)C'
p19182
sS'CPD-13594'
p19183
S'CC1(=CC=C(N)C=C1)'
p19184
sS'CPD-8167'
p19185
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p19186
sS'1-O6-O-DIGALLOYL-BETA-D-GLUCOSE'
p19187
S'C(C1(C(C(C(C(O1)OC(C2(C=C(C(=C(C=2)O)O)O))=O)O)O)O))OC(C3(C=C(C(=C(C=3)O)O)O))=O'
p19188
sS'FE+4'
p19189
S'[Fe++++]'
p19190
sS'CPD-11735'
p19191
S'C(=O)([O-])P([O-])(O)=O'
p19192
sS'FE+3'
p19193
S'[Fe+++]'
p19194
sS'CPD-11737'
p19195
S'C1(N)(C=CN(C(=O)N=1)C2(OC(C(O)C(O)2)COP([O-])(=O)OP([O-])(=O)C(=O)[O-]))'
p19196
sS'CPD-11736'
p19197
S'[CH](=O)P([O-])(=O)[O-]'
p19198
sS'O-SUCCINYL-L-HOMOSERINE'
p19199
S'C(CC(=O)OCCC(C([O-])=O)[N+])C([O-])=O'
p19200
sS'CPD-3604'
p19201
S'CC(NC1(C(C(C(OC1O)CO)O)O))=O'
p19202
sS'CPD-14017'
p19203
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2))'
p19204
sS'CPD-14016'
p19205
S'CC1(C)(C2(CCC(C)1C(C)(O)C2))'
p19206
sS'CPD-14015'
p19207
S'CC(C)=CCCC(=C(C)COP([O-])(OP(=O)([O-])[O-])=O)C'
p19208
sS'CPD-18852'
p19209
S'CCCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p19210
sS'CPD-14018'
p19211
S'CCC=CCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19212
sS'P-AMINO-BENZOATE'
p19213
S'C(=O)([O-])C1(C=CC(=CC=1)N)'
p19214
sS'CHLOROACETALDEHYDE'
p19215
S'C([CH]=O)Cl'
p19216
sS'CPD-17379'
p19217
S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(=CC2(=CNC=N2))NC(=O)3))=4))'
p19218
sS'CPD-17069'
p19219
S'CC4(C(CCC(=O)[O-])=C8(N5([Fe--]26([N+]1(C(C(CCC([O-])=O)=C(C)C=1C=C3(C(C)(CC(=O)[O-])C(=O)C(N23)=CC7(C(C)(CC(=O)[O-])C(=O)C(=CC=45)[N+]6=7)))=C8)))))'
p19220
sS'CPD-17068'
p19221
S'CC4(C(CCC(=O)[O-])=C8(N5([Fe--]26([N+]1(C(C(CCC([O-])=O)=C(C)C=1C=C3(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(N23)=CC7(C(C)(CC(=O)[O-])C(CCC(=O)[O-])C(=CC=45)[N+]6=7)))=C8)))))'
p19222
sS'CPD-17067'
p19223
S'C=CC4(=C(C)C8(=[N+]5([Fe+]26([N+]1(=C(C(C)=C(CCC(=O)[O-])C1=CC3(N2C(=C(C)C(CCC(=O)[O-])=3)C=C45))C=C7(C(C)=C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)C(N67)=C8))))))'
p19224
sS'CPD-17066'
p19225
S'CC2(C(CCC(=O)[O-])=C8(N3([Fe-]46([N+]1(=C(C(C)(CC([O-])=O)C(=O)C1=CC5(C(CC(=O)[O-])(C)C(=O)C(=CC=23)[N+]4=5))C=C7(C(C)=C(C=CC([O-])=O)C(N67)=C8))))))'
p19226
sS'CPD-17065'
p19227
S'CC2(=C(CCC(=O)[O-])C8([N+]3([Fe-]46([N+]1(C(C(C(C)S)=C(C)C=1C=C5(C(C(C)S)=C(C)C(=CC2=3)N45))=CC7(=C(C)C(CCC(=O)[O-])=C(N67)C=8))))))'
p19228
sS'CPD-8160'
p19229
S'CCCCCCCCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCCCCCCCCC)=O'
p19230
sS'CPD-17063'
p19231
S'C=CC4(=C(C)C8(=[N+]5([Fe--]26([N+]1(=C(C(C)=C(CCC(=O)[O-])C1=CC3(N2C(=C(C)C(CCC(=O)[O-])=3)C=C45))C=C7(C(C)=C(C(O)CCC=C(CCC=C(C)CCC=C(C)C)C)C(N67)=C8))))))'
p19232
sS'CPD-17061'
p19233
S'CC2(=C(CCC(=O)[O-])C8([N+]3([Fe--]46([N+]1(C(C(C(C)S)=C(C)C=1C=C5(C(C(C)S)=C(C)C(=CC2=3)N45))=CC7(=C(C)C(CCC(=O)[O-])=C(N67)C=8))))))'
p19234
sS'2-METHYL-L-SERINE'
p19235
S'CC([N+])(C(=O)[O-])CO'
p19236
sS'CPD-19148'
p19237
S'CCCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19238
sS'CPD-18593'
p19239
S'CCCCCC=CCCCCCCCCCC(C)CC(C)C([O-])=O'
p19240
sS'CPD-5582'
p19241
S'C(C2(OC(CC1(OC(C(C(C1O)O)Cl)CO))(C(C2O)O)CCl))Cl'
p19242
sS'CPD-5583'
p19243
S'COC(=O)C(CC1(C=CC=CC=1))NC(=O)C([N+])CC(=O)[O-]'
p19244
sS'CPD-5581'
p19245
S'C1(C=CC2(=C(C=1)C(=O)[N-]S(=O)(=O)2))'
p19246
sS'CPD-10484'
p19247
S'C([O-])(=O)C1(C=CC=C(C=1)C(=O)CCC2(C(O)C(O)C(O)O2))'
p19248
sS'VIOMYCIN'
p19249
S'C([N+])CCC([N+])CC(=O)NC1(C(NC(C(=O)NC(C(NC(C(NC(C(NC1)=O)C2(NC(NC(C2)O)=[N+]))=O)=CNC(=O)N)=O)CO)CO)=O)'
p19250
sS'CPD-7988'
p19251
S'CC(C)(C)CC(C)(C)C1(C=CC(OCCO)=CC=1)'
p19252
sS'CPD-7989'
p19253
S'C=C(C1(CC2(C(CCC=C(CC1)2)C)C))C'
p19254
sS'CPD-10483'
p19255
S'C(CCC(C([O-])=O)NC(=O)CCC([O-])=O)NC(=O)N'
p19256
sS'CPD-7986'
p19257
S'CC(=CCCC(CC=O)C)C'
p19258
sS'CPD-7987'
p19259
S'O=S(S([O-])(=O)=O)[O-]'
p19260
sS'CPD-7980'
p19261
S'CC(=CCCC(CCO)C)C'
p19262
sS'CPD-10489'
p19263
S'C1(C(Cl)=C(Cl)C([O-])=C(Cl)C(Cl)=1)'
p19264
sS'CPD-7983'
p19265
S'C=CC(CC=CC(=C)C)(O)C'
p19266
sS'CPD-14905'
p19267
S'CCC(C(C)=C)CCC(C)[CH]3(CCC4(C)(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p19268
sS'CPD-14907'
p19269
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(O)=3)[O-]))'
p19270
sS'CPD-14906'
p19271
S'CCCCCCCCCC(O)CCCCCCCC(=O)[O-]'
p19272
sS'CPD-14901'
p19273
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19274
sS'CPD-14900'
p19275
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19276
sS'CPD-14903'
p19277
S'CCC(C(C)=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p19278
sS'CPD-14902'
p19279
S'CCC(C(C)=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19280
sS'CPD-14909'
p19281
S'COC4(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(OC3(C(C(C(O)C(O3)CO)O)O))=4)[O-]))'
p19282
sS'CPD-14908'
p19283
S'C1(C=C(O)C(O)=CC=1C2(OC4(C(C(=O)C=2[O-])=C(O)C(O)=C(OC3(C(C(C(O)C(O3)CO)O)O))C=4)))'
p19284
sS'XYLITOL'
p19285
S'C(O)C(O)C(O)C(O)CO'
p19286
sS'CPD-8145'
p19287
S'CCCC[N+]([O-])=O'
p19288
sS'FRUCTOSELYSINE'
p19289
S'C([N+]CCCCC([N+])C(=O)[O-])C(=O)C(O)C(O)C(O)CO'
p19290
sS'CPD-5461'
p19291
S'CC(CN1(C(N(C(C2(N=CNC1=2))=O)C)=O))C'
p19292
sS'CPD-10042'
p19293
S'C=C(C)C1(CCC(C)C(=O)C1)'
p19294
sS'CPD0-2085'
p19295
S'CC1(C=CN(=O)=CC=1)'
p19296
sS'CPD0-1269'
p19297
S'C(O)(O)C1(=CC(C(O)O)=C(Br)C=C1)'
p19298
sS'CPD0-2087'
p19299
S'C1([N+](O)=CC=CC=1)'
p19300
sS'CPD0-2086'
p19301
S'C(C3(C(C(C(N2(C=N(C1(C(N)=NC=NC=12))=O))O3)O)O))O'
p19302
sS'CPD0-2081'
p19303
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=C(F)C(=O)NC(=O)2))'
p19304
sS'CPD0-2080'
p19305
S'C2(N(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(=O)NC(=O)C=2)'
p19306
sS'CPD0-2083'
p19307
S'C1(=N(=O)C=C(C(=O)N)C=C1)'
p19308
sS'CPD0-2082'
p19309
S'C1(=N(=O)C=C(C(=O)[O-])C=C1)'
p19310
sS'CPD0-1260'
p19311
S'CC(CO)[N+]'
p19312
sS'CPD0-1262'
p19313
S'C(=O)([O-])C(S)CC(=O)[O-]'
p19314
sS'CPD0-1263'
p19315
S'C(=O)([O-])C1(=CC(O)=C(O)C(C(=O)[O-])=C1)'
p19316
sS'CPD0-1264'
p19317
S'C(=O)([O-])CCCCCCC(=O)[O-]'
p19318
sS'CPD0-2088'
p19319
S'C(=O)([O-])C1(=[N+]([O-])C=CC=C1)'
p19320
sS'CPD-17391'
p19321
S'C=CC(C)(C)C15(C2(NC(=O)C(N(C(=O)C(O)=C1)2)=CC3(=CNC=N3))N(OC)C4(C=CC=CC=45))'
p19322
sS'CPD0-1267'
p19323
S'C(=O)([O-])C1(C=CC=C(C(=O)[O-])C=1)'
p19324
sS'CPD-15763'
p19325
S'CC1(C(O)C([N+](C)C)CC(O)O1)'
p19326
sS'CPD-8746'
p19327
S'CC(C)C1(C=CC(=C)CCC=C(C)CC1)'
p19328
sS'CPD-15766'
p19329
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)CC3)))'
p19330
sS'CPD-15764'
p19331
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(O)C([N+](C)C)C3)))'
p19332
sS'CPD-15765'
p19333
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)O)O))[N+](C)C))O)=O)O))=O)))O'
p19334
sS'PENTACHLOROPHENOL'
p19335
S'C1(C(=C(C([O-])=C(Cl)C(Cl)=1)Cl)Cl)Cl'
p19336
sS'7-O-METHYLVITEXIN-2-O-B-L-RHAMNOSIDE'
p19337
S'CC1(OC(C(C(C(O)1)O)O)OC2(C(C(O)C(CO)OC2C5(C(OC)=CC(O)=C4(C(=O)C=C(C3(C=CC(O)=CC=3))OC4=5)))O))'
p19338
sS'7-ALPHA27-DIHYDROXYCHOLESTEROL'
p19339
S'CC(CO)CCCC(C)[CH]3(CC[CH]4([CH]2(C(O)C=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19340
sS'CPD-3261'
p19341
S'C1(C=CC(=CC=1)C2(OC3(C=CC=CC(C(=O)C([O-])=2)=3)))'
p19342
sS'CPD-1903'
p19343
S'CC1(C)(C2(CCC(C)1C(O)C2))'
p19344
sS'CPD-7323'
p19345
S'CC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(CCOC2(=CC1(N=C3(C(=NC=1C=C2)C=CC=C3))))C)C)C'
p19346
sS'CPD-17390'
p19347
S'C=CC(C)(C)C15(C2(NC(=O)C(N(C(=O)C(O)=C1)2)=CC3(=CNC=N3))N(O)C4(C=CC=CC=45))'
p19348
sS'GDP-L-GALACTOSE'
p19349
S'C(C3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))OP(OP(OC4(C(C(C(C(O4)CO)O)O)O))([O-])=O)([O-])=O'
p19350
sS'CPD-18228'
p19351
S'CC(C)C(C([O-])=O)NC(C(C)[N+])=O'
p19352
sS'CPD-18229'
p19353
S'C1(N(C(N)=O)C(=N)NC1CC(O)CCCC([N+])C([N+])C([O-])=O)'
p19354
sS'CPD-18220'
p19355
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C2(C(C)C3(C(O)C=C(C)C(C)(O2)O3))'
p19356
sS'CPD-18221'
p19357
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C3(C(C)C4(C=CC2(CO2)C(C)(O3)O4))'
p19358
sS'CPD-18222'
p19359
S'CC(C=CC(=C2(C(N(C1(OC(C)C(O)CC1))C(C(C)C(=O)NC)C2=O)=O))O)=CC(C)C4(C(C)C5(C=CC3(CO3)C(C)(O4)O5))'
p19360
sS'CPD-18223'
p19361
S'CC(C=CC(=C1(C(NCC1=O)=O))O)=CC(C)C3(C(C)C4(C(O)CC2(OC(C)C(C(OC)=O)C2(O3)O4)(C)))'
p19362
sS'CPD-4981'
p19363
S'CC1(CCC2(=C(C1)OC=C2C))'
p19364
sS'CPD-18225'
p19365
S'CC(C)C(C([O-])=O)NC(=O)C(C)NC(=O)C(N)C([N+])CCC(O)C(O)C(O)C1(NC(=N)N(C(N)=O)C1)'
p19366
sS'CPD-18226'
p19367
S'CC(C)C(C([O-])=O)NC(=O)C(C)NC(=O)C(N)C([N+])CCC(O)C(O)CC1(NC(=N)N(C(N)=O)C1)'
p19368
sS'CPD-18227'
p19369
S'C1(N(C(N)=O)C(=N)NC1CC(O)CCCC(=O)[O-])'
p19370
sS'3-HYDROXY-ISOVALERYL-COA'
p19371
S'CC(COP(=O)([O-])OP(=O)([O-])OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])([O-])=O))(C)C(C(NCCC(NCCSC(=O)CC(C)(C)O)=O)=O)O'
p19372
sS'CPD-15307'
p19373
S'C2(=NC1(N=CN=CC=1N=C2))'
p19374
sS'CPD-9992'
p19375
S'CN1(C(C([O-])=O)CS[CH]1[CH]3(CSC(C2(C(O)=CC=CC=2))=N3))'
p19376
sS'CPD0-1198'
p19377
S'C([O-])(=O)C(O)C(O)C(O)CO'
p19378
sS'CPD0-1197'
p19379
S'C(=O)([O-])C(O)C(O)C(O)C(O)CO'
p19380
sS'CPD0-1193'
p19381
S'C(O[R1])C1(C(O)C(O)C(N)C(O[R2])O1)'
p19382
sS'CPD-7765'
p19383
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCCCC)=O'
p19384
sS'CPD-15506'
p19385
S'CC(C(O)CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C[CH](C(=O)C=C23)4))))'
p19386
sS'CPD-15507'
p19387
S'C(C(C(=O)C1(C=CC(O)=CC=1))N)(=O)[O-]'
p19388
sS'CPD-15504'
p19389
S'CC1(=CC=C(N1)C(=O)OC9(C(O)C(OC8(C=CC7(C([O-])=C(NC(=O)C2(=CNC(=C(C)2)C(=O)NC4(=C([O-])C3(C=CC(=C(C)C=3OC(=O)4)OC6(C(O)C(OC(C5(NC(C)=CC=5))=O)C(OC)C(C)(C)O6)))))C(=O)OC=7C(C)=8)))OC(C)(C)C(OC)9))'
p19390
sS'CPD-15505'
p19391
S'CC(CCCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C[CH](C(=O)C=C23)4))))'
p19392
sS'CPD-15502'
p19393
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(C([O-])=O)O)'
p19394
sS'GLYCEROL'
p19395
S'C(C(O)CO)O'
p19396
sS'CPD-15500'
p19397
S'CC(C)CCCC(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C[CH](C(=O)C=C23)4))))'
p19398
sS'CPD-15501'
p19399
S'CC(C)CCCC(C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CCC(=O)C=C(C(=O)C=C23)4))))'
p19400
sS'CPD-15508'
p19401
S'CC1(OC=CC(=O)C(O)=1)'
p19402
sS'CPD-15509'
p19403
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC5(=C(C([O-])=2)C=CC(OC4(OC(C)(C)C(OC)C(OC(C3(NC(C)=CC=3))=O)C(O)4))=C5)))=O)'
p19404
sS'CPD-7063'
p19405
S'CCC1(C(C)=C(NC=1C=C4(C(C)=C5(C(=O)[C-](C(OC)=O)C(C2(C(CCC(=O)[O-])C(C)C(N=2)=CC3(C(C)=C(C=C)C(=O)N3)))=C(N4)5)))C=O)'
p19406
sS'CPD-7062'
p19407
S'C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)[O-])C(=N1)C3(C(C(OC)=O)C(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C([CH]=O)C(N=4)=CC=5N6))))))'
p19408
sS'CPD-7061'
p19409
S'C=CC5(=C(C)C6(=CC1(C(C)C(CCC(=O)[O-])C(N=1)=C3([C-](C(OC)=O)C(=O)C2(C(C)=C(NC=23)C=C4(C(CC)=C(C)C(=N4)C=C5N6))))))'
p19410
sS'CPD-7067'
p19411
S'CC1(C(C(C(C(O1)OC2(C(OC(C(C2O)O)CO)OC4(C=C(C(C(=O)CCC3(C=CC(=CC=3)O))=C(C=4)O)O)))O)O)O)'
p19412
sS'CPD-7066'
p19413
S'CC(C(=O)[O-])C(O)C([O-])=O'
p19414
sS'CPD-7064'
p19415
S'CCC1(C(C)=C(NC=1CC4(=C(C)C5(C(=O)[C-](C(OC)=O)C(=C2(C(CCC(=O)[O-])C(C)C(=N2)CC3(C(C)=C(C=C)C(=O)N3)))C(N4)=5)))C=O)'
p19416
sS'CPD-17392'
p19417
S'C=CC(C)(C)C23(CC5(N(C(N(O)C1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p19418
sS'CPD-7069'
p19419
S'CC1(OC(C(C(O)C(O)1)O)OC2(C(O)C(C(CO)OC2OC4(C=C(C(C(CCC3(=CC=C(OC)C(O)=C3))=O)=C(C=4)O)O))O))'
p19420
sS'HCO3'
p19421
S'C([O-])(=O)O'
p19422
sS'HYDANTOIN'
p19423
S'C1(NC(CN1)=O)=O'
p19424
sS'CPD-4022'
p19425
S'COC1(C=CC(=CC=1)C(C2(=CN=CN=C2))(O)C3(CC3))'
p19426
sS'18-HYDROXYOLEATE'
p19427
S'C(O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p19428
sS'5-PHOSPHO-RIBOSYL-GLYCINEAMIDE'
p19429
S'C([N+])C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p19430
sS'DIHYDROFOLATE'
p19431
S'C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3))'
p19432
sS'CPD-9728'
p19433
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2))'
p19434
sS'CPD-8882'
p19435
S'C(C(C(CC(CO)O)O)O)O'
p19436
sS'CPD0-1043'
p19437
S'CN1(C(=NC2(=C(C1=O)N=CN2C3(OC(C(C3O)O)CO)))N)'
p19438
sS'3-4DH3-4DHFLUORENE'
p19439
S'C1(C=C2(C(=CC=1)C3(C(C(C=CC(C2)=3)O)O)))'
p19440
sS'CPD-10877'
p19441
S'C1(C=C(F)C(O)=C([O-])C(Cl)=1)'
p19442
sS'3-METHYLBENZOYL-COA'
p19443
S'CC4(=CC=CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=C4)'
p19444
sS'PENTANOL'
p19445
S'CCCCCO'
p19446
sS'CPD0-1048'
p19447
S'CCCCCCCCOC1(C(O)C(O)C(O)C(CO)O1)'
p19448
sS'CPD0-2559'
p19449
S'C1(=CCC(O)=C(C=C1)C(=O)[O-])'
p19450
sS'CPD0-2558'
p19451
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C=CC=CCC(O)=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p19452
sS'CPD0-2552'
p19453
S'C[N+]2(=CN(C1(C(O)C(O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1))C3(=C2C(=O)NC(N)=N3))'
p19454
sS'CPD0-2223'
p19455
S'CCCCCCCCCCCCCCCCCC(OC(COP(OCC[N+])([O-])=O)CO)=O'
p19456
sS'CPD0-2557'
p19457
S'CCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC3(OC(N2(C=NC1(C(N)=NC=NC=12)))C(O)C(OP(=O)([O-])[O-])3)'
p19458
sS'CPD0-2556'
p19459
S'CC3(=C(CC(=O)O)C1(C(=CC=C(F)C=1)C(=CC2(C=CC(S(C)=O)=CC=2))3))'
p19460
sS'CPD-582'
p19461
S'C(OP(=O)([O-])OP(=O)([O-])OCC3(O[CH]1(NC4(N=C(N)NC(=O)C(N[CH]1C2(=C(S[Mo](=O)(=O)S2)3))=4))))C5(OC(C(O)C(O)5)N7(C=NC6(C(=O)NC(N)=NC=67)))'
p19462
sS'CPD-583'
p19463
S'[CH](NC(C(=O)[O-])CC(=O)[O-])=O'
p19464
sS'CPD-580'
p19465
S'CC(NCCC([O-])=O)=O'
p19466
sS'CPD-581'
p19467
S'CN(C)C=O'
p19468
sS'CPD-3727'
p19469
S'C1(OP(=O)([O-])OC2(C(O)C(OC12)N3(C=CC(=O)NC(=O)3)))'
p19470
sS'5-HYDROXY-CONIFERALDEHYDE'
p19471
S'COC1(=CC(C=CC=O)=CC(O)=C(O)1)'
p19472
sS'CPD-584'
p19473
S'C2(=C(CC([N+])C(N)=O)C1(C=CC=CC=1N2))'
p19474
sS'HS'
p19475
S'[SH2]'
p19476
sS'3-HYDROXY-2-METHYL-3-PHYTYL-23-DIHYDRONA'
p19477
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1(O)(C(=O)C2(C=CC=CC(C(=O)C(C)1)=2))'
p19478
sS'CPD-8621'
p19479
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(O)CC3)))CC4)))C'
p19480
sS'HG+2'
p19481
S'[Hg++]'
p19482
sS'HEXANAL'
p19483
S'CCCCC[CH]=O'
p19484
sS'GIBBERELLIN-2-O-BETA-D-GLUCOSIDE'
p19485
S'C=C6(CC14(CC(O)(CCC1C35(CCC(OC2(OC(CO)C(O)C(O)C(O)2))C(C)(C(=O)O3)C(C(C(=O)[O-])4)5))6))'
p19486
sS'CPD-1132'
p19487
S'CCC(C(=O)CC)O'
p19488
sS'N-ACETYLISATIN'
p19489
S'CC(N2(C(C(C1(C=CC=CC=12))=O)=O))=O'
p19490
sS'PALMITYL-COA'
p19491
S'CCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p19492
sS'CPD-16741'
p19493
S'CC(O)(C)[CH]1(O[CH]2(C(C)(CC1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p19494
sS'CPD-1131'
p19495
S'C(=O)C1(C=CC=CC=1C([O-])=O)'
p19496
sS'CPD-3729'
p19497
S'C(C(CC1(C=CC(OP([O-])(=O)[O-])=CC=1))[N+])(=O)[O-]'
p19498
sS'4-ACETAMIDOBUTANOYL'
p19499
S'CC(=O)NCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19500
sS'33457-PENTAHYDROXY-8-METHOXYFLAVON'
p19501
S'COC3(C(=CC(=C2(C(C(=C(C1(=CC=C(C(=C1)O)O))OC2=3)[O-])=O))O)O)'
p19502
sS'KDO2-LIPID-A'
p19503
S'CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC4(C(C(OCC1(OC(OP([O-])([O-])=O)C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(O)1))OC(COC3(C([O-])=O)(O[CH](C(CO)O)C(O)C(OC2(C([O-])=O)(O[CH](C(CO)O)C(O)C(O)C2))C3))C4OP([O-])([O-])=O)NC(CC(OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)'
p19504
sS'CPD-764'
p19505
S'C(C([O-])=O)P([O-])(=O)O'
p19506
sS'CPD-762'
p19507
S'C(C(=O)[O-])[As](=O)([O-])O'
p19508
sS'L-GULONO-1-4-LACTONE'
p19509
S'C(C([CH]1(C(C(C(O1)=O)O)O))O)O'
p19510
sS'3-METHYLTHIOPROPANALDOXIME'
p19511
S'CSCCCC=NO'
p19512
sS'CPD-761'
p19513
S'C([O-])(=O)CC1(C(=CC(O1)=O)C([O-])=O)'
p19514
sS'NAD-STEM-GROUP'
p19515
S'C1(C(C(C(O1)COP(OP([O-])(=O)OCC4(C(C(O)C(N3(C=NC2(=C(N=CN=C2N)3)))O4)O))(=O)[O-])O)O)'
p19516
sS'CPD-1130'
p19517
S'CCC(C(=O)[O-])C(C([O-])=O)O'
p19518
sS'DICHLOROBIS-CPD'
p19519
S'C(=C(C1(C=CC(Cl)=CC=1))C2(C=CC(Cl)=CC=2))(Cl)Cl'
p19520
sS'CPD-11506'
p19521
S'CCCCCC(=O)CC1(OC(=O)C=C([O-])C=1)'
p19522
sS'CPD-11507'
p19523
S'CCCCCC1(OC(=O)C=C([O-])C=1)'
p19524
sS'CPD-11504'
p19525
S'C=C(C)[CH]1(C[CH]2(C(CCCC(CC1)(C)2)=C))'
p19526
sS'CPD-11505'
p19527
S'CCCCCC1(=CC([OH])=CC([OH])=C1)'
p19528
sS'CPD-4024'
p19529
S'CC(C)(C)C(C(N1(N=CN=C1))CCCOC2(C=CC=CC=2))O'
p19530
sS'CPD-6001'
p19531
S'C(C1(OC(C(C1O)O)O))O'
p19532
sS'25-DICHLOROHYDROQUINONE'
p19533
S'C1(=C(C(O)=CC(Cl)=C1O)Cl)'
p19534
sS'PRISTANATE'
p19535
S'CC(CCCC(CCCC(C)CCCC(C([O-])=O)C)C)C'
p19536
sS'CPD-3742'
p19537
S'C(C1(OC(C(C(C(O)1)O)O)S))O'
p19538
sS'CPD-3743'
p19539
S'CC(CCC(=O)NCCS([O-])(=O)=O)[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CC(O)C(C)23)4))))'
p19540
sS'CPD-3740'
p19541
S'C(C(C(=O)[O-])[N+])SCSCC(C(=O)[O-])[N+]'
p19542
sS'CPD-3741'
p19543
S'C(=[N+])(N)[S-]'
p19544
sS'CPD-8066'
p19545
S'C(O)C1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OCC3(C(O)C(O)C(O)C(O3)OCC6(C(O)C(O)C(O)C(OCC5(C(O)C(O)C(O)C(OC4(CO)(C(O)C(O)C(CO)O4))O5))O6))))'
p19546
sS'CPD-3747'
p19547
S'C1(CCCS(=O)(=O)1)'
p19548
sS'CPD-8064'
p19549
S'COC1(C(C(C(C(C1O)O)O)O)O)'
p19550
sS'CPD-8065'
p19551
S'C(O)C1(C(O)C(O)C(O)C(O1)OCC2(C(O)C(O)C(O)C(O2)OCC5(C(O)C(O)C(O)C(OCC4(C(O)C(O)C(O)C(OC3(CO)(C(O)C(O)C(CO)O3))O4))O5)))'
p19552
sS'CPD-8068'
p19553
S'C6(C(C5(OC1(C=C(C=C(C=1C(C(OC2(C(C(C(O)C(O2)CO)O)OC3(C(C(C(O)C(O3)CO)O)OC4(C(C(C(O)C(O4)CO)O)O))))=5)=O)O)O)))=CC=C(C=6)O)'
p19554
sS'CPD-8069'
p19555
S'C(=O)(OCC6(C(O)C(O)C(O)C(OC1(C(C(O)C(OC1OC2(C(C(O)C(OC2OC3(C(C5(C(=CC(=CC(OC=3C4(C=CC(=CC=4)O))=5)O)O))=O))CO)O))CO)O))O6))C=CC7(C=CC(O)=CC=7)'
p19556
sS'HX'
p19557
S'[XH]'
p19558
sS'BR-'
p19559
S'[Br-]'
p19560
sS'OH-CH3-SER'
p19561
S'C(O)C([N+])(C(=O)[O-])CO'
p19562
sS'CPD-586'
p19563
S'CCCCC(N)=O'
p19564
sS'L-ASPARTATE-SEMIALDEHYDE'
p19565
S'[CH](=O)CC([N+])C(=O)[O-]'
p19566
sS'CPD-587'
p19567
S'C([O-])(=O)CC1(C(NC(N1)=O)=O)'
p19568
sS'TRYPANOTHIONE-DISULFIDE'
p19569
S'C1(CCCNC(CNC(C(NC(CCC(C([O-])=O)[N+])=O)CSSCC(C(NCC(NCCC[N+]1)=O)=O)NC(CCC(C([O-])=O)[N+])=O)=O)=O)'
p19570
sS'CROTONYL-COA'
p19571
S'CC=CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O'
p19572
sS'CPD-9388'
p19573
S'CC1(OC(C(CC1O)O)O)'
p19574
sS'ADT'
p19575
S'C1([N+]=C(N)SCC1)'
p19576
sS'ADP'
p19577
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OP(=O)([O-])[O-])([O-])=O'
p19578
sS'ISOSCOPARIN'
p19579
S'COC1(C(=CC=C(C=1)C4(=CC(C2(=C(C=C(C(=C2O)C3(C(C(C(C(CO)O3)O)O)O))[O-])O4))=O))O)'
p19580
sS'GMP'
p19581
S'C(OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p19582
sS'CPD0-1812'
p19583
S'CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO'
p19584
sS'CPD-4162'
p19585
S'CCC(C(C)C)C=CC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19586
sS'NITROSOBENZENE'
p19587
S'C1(C=CC(=CC=1)N=O)'
p19588
sS'CPD-7299'
p19589
S'C(NC(N)=O)(CC(=O)[O-])=O'
p19590
sS'CPD-16688'
p19591
S'CC1(=CC(=CC2(=CC3(C(C(O)=C12)=C(C4(=C(O)C=C(C=C(C=3)4)O))O)))O)'
p19592
sS'CPD-17881'
p19593
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(O)(C5(C([N+]=C4)=CC=CC=5)))'
p19594
sS'CPD-16689'
p19595
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)C(O)CC3)))'
p19596
sS'CPD-17210'
p19597
S'CC2(C=CC=CC=CC=CC=CC=CC=CC(O)CC1(OC(O)(CC(O)C(C([O-])=O)1)CC(O)CC(O)CCCC(=O)CCCC(=O)CC(=O)OC2C(C)CC(C)C(O)CC(=O)C3(C=CC(N)=CC=3)))'
p19598
sS'CPD-17211'
p19599
S'CC1(C(O)C(C)C(C)OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC3(CC(O)C(C([O-])=O)[CH](CC(C=CC=CC=CC=CC=CC=CC=C1)OC2(OC(C(O)C([N+])C(O)2)C))O3)(O))'
p19600
sS'CPD-17212'
p19601
S'CC1(C=CC=CCCC=CC=CC=CC=CC(C[CH]2(C(C([O-])=O)C(CC(CC(C(CCC(CC(CC(CC(=O)OC(C)C(C)C1O)O)O)O)O)O)(O)O2)O))OC3(C(C(C(C(C)O3)O)[N+])O))'
p19602
sS'CPD-17213'
p19603
S'CC1(CC=CC=CC=CC=CC(C[CH]3(C(C([O-])=O)C(CC(CC(C[CH]2([CH](C=CC(=O)O1)O2))O)(O)O3)O))OC4(C(C(C(C(C)O4)O)[N+])O))'
p19604
sS'CPD-17214'
p19605
S'CC1(OC(O)C(O)C(=O)C(O)1)'
p19606
sS'CPD-17216'
p19607
S'CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C([CH]=O)C)C'
p19608
sS'CPD-10079'
p19609
S'C(OP([O-])(=O)[O-])C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p19610
sS'CPD-10077'
p19611
S'COC1(C=CC(=CC=1)C2(C(C4(C(OC=2)=CC(OC3(OC(C(C(C3O)O)O)CO))=C(OC)C=4))=O))'
p19612
sS'CPD-10076'
p19613
S'C(OP(OP(OP([O-])(=O)[O-])(=O)[O-])(=O)[O-])C1(C(=O)C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p19614
sS'CPD-7841'
p19615
S'CC8(C(=CC=C(C=CC(OCC4(OC(OC1(=CC3(=C(C=C(C=C(O=C1C2(C=CC(=CC=2)O))3)O)O)))C(C(C4O)O)OC5(C(C(C(C(O5)COC(=O)C=CC6(C=C(C(=CC=6)O)OC7(OC(C(C(C7O)O)O)CO)))O)O)O)))=O)C=8)OC9(OC(C(C(C9O)O)O)COC(=O)C=CC%10(C=CC(=C(C=%10)OC%11(OC(C(C(C%11O)O)O)CO))O)))'
p19616
sS'CPD-7840'
p19617
S'CC8(C(=CC=C(C=CC(OCC4(OC(OC1(=CC3(=C(C=C(C=C(O=C1C2(C=C(C(=CC=2)O)OC))3)O)O)))C(C(C4O)O)OC5(C(C(C(C(O5)COC(=O)C=CC6(C=C(C(=CC=6)O)OC7(OC(C(C(C7O)O)O)CO)))O)O)O)))=O)C=8)OC9(OC(C(C(C9O)O)O)COC(=O)C=CC%10(C=CC(=C(C=%10)OC%11(OC(C(C(C%11O)O)O)CO))O)))'
p19618
sS'CPD-7843'
p19619
S'C(C5(OC(OC4(C(OC1(=CC3(C(=CC(=CC([O+]=C1C2(C=CC(=CC=2)O))=3)O)[O-])))OC(C(C4O)O)CO))C(C(C5O)O)O))O'
p19620
sS'CPD-7842'
p19621
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(CO)OC2OC4(C(C3(C=CC(O)=C(O)C=3))=[O+]C5(=C(C=4)C([O-])=CC(O)=C5))))'
p19622
sS'CPD-7845'
p19623
S'CCCCCCCCCCCCCCCCCCCCCCO'
p19624
sS'CPD-7844'
p19625
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C(O)C(O)C(CO)OC2OC4(C(C3(C=C(O)C(O)=C(O)C=3))=[O+]C5(=C(C=4)C([O-])=CC(O)=C5))))'
p19626
sS'CPD-7847'
p19627
S'CC(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(C(CC2(C)C)O)=O)C)'
p19628
sS'CPD-7846'
p19629
S'C[N+]16([CH](C3(=C(CC1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6))'
p19630
sS'CPD-7849'
p19631
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)=O)C)'
p19632
sS'CPD-7848'
p19633
S'C[N+]4(C1(C6(=C(C(OC)=CC=1C3(=C(C2(=C(OCO2)C=C3OC))C=4))C=C5(C(OCO5)=C6))))'
p19634
sS'CPD-12363'
p19635
S'CC8(NC(=O)C3(C=C4(C1(=C2(C(=CC=C1)NC=C2C[CH]([N+](C)C3)4)))))(OC7(O)([CH]5(CCCN5C(=O)C(CC6(C=CC=CC=6))N7C(=O)8)))'
p19636
sS'CPD-12362'
p19637
S'CC12([CH]CCC3(OC1=O)([CH]2C(C45(CC(CC[CH]34)C(O)(C5)CO))C([O-])=O))'
p19638
sS'CPD-12360'
p19639
S'CC12(CCCC(C([O-])=O)(C1C(C34(CC(CCC23)C(O)(C4)CO))C([O-])=O)C)'
p19640
sS'CPD-12367'
p19641
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p19642
sS'CPD-12366'
p19643
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p19644
sS'CPD-12365'
p19645
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p19646
sS'CPD-12364'
p19647
S'C[N+]4(CC(C(=O)[O-])C=C1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p19648
sS'2-OXYPHYTANATE'
p19649
S'CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(=O)[O-]'
p19650
sS'13-HYDROPEROXYOCTADECA-911-DIENOATE'
p19651
S'CCCCCC(C=CC=CCCCCCCCC(=O)[O-])OO'
p19652
sS'CPD-10291'
p19653
S'C1(C=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C(O)2)=3)))'
p19654
sS'CPD-10290'
p19655
S'CC(C)CC2(C(=O)NC(C(N4(C(C(=O)NC(C(C)C)C(=O)NC(CCC[N+])C(=O)NC(CC(C)C)C(=O)NC(C(=O)N1(C(CCC1)C(=O)NC(C(C)C)C(=O)NC(CCC[N+])C(=O)N2))CC3(C=CC=CC=3))CCC4))=O)CC5(C=CC=CC=5))'
p19656
sS'CPD-10296'
p19657
S'C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)[O-])C(=N1)C3(CC(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C(C)C(N=4)=CC=5N6))))))'
p19658
sS'CPD-12512'
p19659
S'C(O)C1(C(O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))'
p19660
sS'METHYLENEDIUREA'
p19661
S'C(NC(N)=O)NC(N)=O'
p19662
sS'CPD-9858'
p19663
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C)C'
p19664
sS'CPD-4579'
p19665
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(CO)C(O)CCC(C)1C=2CCC(C)34))))'
p19666
sS'CPD-9854'
p19667
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C'
p19668
sS'CPD-4575'
p19669
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(CO)(C)C(O)CCC(C)1C=2CCC(C)34))))'
p19670
sS'CPD-4576'
p19671
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C([CH]=O)(C)C(O)CCC(C)1C=2CCC(C)34))))'
p19672
sS'CPD-4577'
p19673
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C([O-])=O)(C)C(O)CCC(C)1C=2CCC(C)34))))'
p19674
sS'CPD-9850'
p19675
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCC2(C(=O)C1(=CC=CC=C1C(=O)C(C)=2)))C'
p19676
sS'1-PHOSPHATIDYL-MYO-INOSITOL-2-MANNOSE'
p19677
S'C(C2(OC(OC1(C(O)C(O)C(O)C(O)C(OP(=O)([O-])OCC(COC(=O)[R2])OC(=O)[R1])1))C(C(C2O)O)O))O'
p19678
sS'CPD-9852'
p19679
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C'
p19680
sS'CPD-4573'
p19681
S'CC(C)=CCCC([CH]1(C2(C)(C(C=O)(CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p19682
sS'CPD-12947'
p19683
S'CC1(O)(CC2(O)(C(O[R2])(C(=O)C1)C3(=C(C=C2)C(=O)C4(=C(C(=O)3)C=CC([R1])=C(O)4))))'
p19684
sS'D-BETA-D-HEPTOSE-1-P'
p19685
S'C(C([CH]1(OC(C(C(C1O)O)O)OP([O-])(=O)[O-]))O)O'
p19686
sS'D-GALACTOSYL-14-BETA-D-GLUCOSYL-R'
p19687
S'C(O)C2(OC(OC1(C(O)C(O)C(O[R])OC(CO)1))C(O)C(O)C(O)2)'
p19688
sS'CPD-12516'
p19689
S'CC(=O)NC1(C(O)C(OS(=O)(=O)[O-])C(CO)OC(O)1)'
p19690
sS'L-RIBULOSE-5-P'
p19691
S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CO'
p19692
sS'CPD-15664'
p19693
S'CC(=O)NC1(C(O)C(C(C([O-])=O)OC1O)O)'
p19694
sS'CPD-12943'
p19695
S'C=CC1(C=C5(C(=C(OC)C=1)C4(=C(C3(C(=C(O)C=CC(C2(C(O)C(O)C(O)C(C)O2))=3)C(OC)=C4))OC(=O)5)))'
p19696
sS'BENZIMIDAZOLE'
p19697
S'C1(=NC2(=CC=CC=C(N1)2))'
p19698
sS'CPD-15662'
p19699
S'CCCCCCC=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19700
sS'CPD-15661'
p19701
S'CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19702
sS'CPD-15660'
p19703
S'CCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19704
sS'IODOACETATE'
p19705
S'C(I)C(=O)[O-]'
p19706
sS'CPD-11228'
p19707
S'C2(NC1(=C(C=CC=C1)C=2CC(NC(C([O-])=O)CCSC)=O))'
p19708
sS'CPD-8877'
p19709
S'C(C1(C=C(C=CC=1[O-])[N+](=O)[O-]))=O'
p19710
sS'2-OXOSUCCINAMATE'
p19711
S'C(C(N)=O)C(=O)C([O-])=O'
p19712
sS'ESTRIOL'
p19713
S'CC23(CC[CH]1(C4(C=CC(O)=CC(CC[CH]1[CH](CC(C(O)2)O)3)=4)))'
p19714
sS'CPD-14241'
p19715
S'CCC=CCC=CCC=CCC=CCCC(=O)C(CC=CCC=CCC=CCC=CCC)C(=O)[O-]'
p19716
sS'INDOLE-3-ACETALDOXIME'
p19717
S'C(=NO)CC2(=CNC1(=C(C=CC=C1)2))'
p19718
sS'CPD-13018'
p19719
S'CC(C(=O)NC(C(=O)[O-])CCC(NCCCCC(C([O-])=O)[N+])=O)NC(=O)C(C)OC1(C(O)C(CO)OC(C(NC(=O)C)1)OP(OP(OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)'
p19720
sS'IMINO-GROUP'
p19721
S'[C--]=[N+]'
p19722
sS'L-XYLONO-14-LACTONE'
p19723
S'C(O)C1(OC(=O)C(O)C(O)1)'
p19724
sS'CPD-13013'
p19725
S'C(OP([O-])(=O)[O-])C(OC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))C(=O)[O-]'
p19726
sS'CPD-13010'
p19727
S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C=C2)O)))[N+])([O-])=O'
p19728
sS'UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMYL'
p19729
S'CC([N+])C(=O)NCCCCC(C(=O)NC(C)C(NC(C(=O)[O-])C)=O)NC(=O)CCC(C([O-])=O)NC(=O)C(C)NC(=O)C(C)OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3)'
p19730
sS'CPD-13016'
p19731
S'C([N+])CC1(=CC=C(C=C1)OC2(C=C(I)C(O)=CC=2))'
p19732
sS'CPD-13017'
p19733
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p19734
sS'CPD-13014'
p19735
S'CCCC(OCC(OC(CCC)=O)COC(CCC)=O)=O'
p19736
sS'CPD-13015'
p19737
S'C(O)C(OC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))C(=O)[O-]'
p19738
sS'CPD-18342'
p19739
S'C=CC1(C)(CCC(C)(C(C)C)C2(C1=CC4(=C3(C=2NC=C3CC(COC)NC(C(C(C)C)N(C)4)=O))))'
p19740
sS'HEXANOATE'
p19741
S'CCCCCC([O-])=O'
p19742
sS'CPD-14592'
p19743
S'C1(C=C(O)C(O)=CC=1C(O)C#N)'
p19744
sS'CPD-14593'
p19745
S'C(C(C1(C=CC(=C(O)C=1)O))OC2(OC(C(C(C2O)O)O)CO))#N'
p19746
sS'CPD-14596'
p19747
S'CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p19748
sS'CPD-18070'
p19749
S'CCC2(C(C)C3(OC(C=CC(C(C)CC(CC=O)C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(O)CC(O2)=O)=O)(C)3))'
p19750
sS'CPD-18073'
p19751
S'CCC2(C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(O)CC(OC(CC)C(C)C3(OC(C=CC(C(C)C2)=O)(C)3))=O)'
p19752
sS'CPD-18072'
p19753
S'CCC2(C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(O)CC(OC(CC)C(C)C=C(C=CC(C(C)C2)=O)C)=O)'
p19754
sS'CPD-18078'
p19755
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=C(O)C=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p19756
sS'CPD-17867'
p19757
S'CC(O)C(NC(=O)C3(C(O)C(O)C(NC(C)=O)C(OC2(C(NC(=O)C)C(NC(=O)C)C(OC1(C(C(O)OC(C1O)CO)NC(C)=O))OC(C(=O)[O-])2))O3))C(=O)[O-]'
p19758
sS'CPD-17866'
p19759
S'C(SS([O-])=O)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p19760
sS'DL-5-METHYLHYDANTOIN'
p19761
S'CC1(NC(=O)NC(=O)1)'
p19762
sS'CPD-17864'
p19763
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC3(OC(C(=O)[O-])C(OC2(OC(C([O-])=O)C(O)C(O)C(NC(C)=O)2))C(NC(=O)C)C(NC(=O)C)3))NC(C)=O))[O-])C'
p19764
sS'CPD-17863'
p19765
S'CC(=O)NC1(C(O)C(C(C(=O)[O-])OC1OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N4(C=NC3(C(=O)NC(N)=NC=34))))O)'
p19766
sS'CPD-17862'
p19767
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC3(OC(C(=O)[O-])C(OC2(OC(C(NC(C(O)C)C(=O)[O-])=O)C(O)C(O)C(NC(C)=O)2))C(NC(=O)C)C(NC(=O)C)3))NC(C)=O))[O-])C'
p19768
sS'CPD-17860'
p19769
S'CC(C)CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)(OC1(C(C(C(C(O1)CO)O)OC2(OC(C(=O)[O-])C(O)C(NC(=O)C)C(NC(=O)C)2))NC(C)=O))[O-])C'
p19770
sS'CPD-8870'
p19771
S'CC=C([Hg]Cl)C'
p19772
sS'CPD-17869'
p19773
S'CC(OC(=O)C)C5(N(C1(CC3(OC(=O)1)(C4(=C(N2(C(=O)C(C)(C)N(O)C23))C=CC=C4))))C(=O)C6(C=CC=CC(N=5)=6))'
p19774
sS'CPD-17868'
p19775
S'CC6(C2(CC4(C1(C(=C(O)C=C(OC)C=12)C(O)=C5(C(=O)C3(O)(C(C(C(=O)N)=C([O-])CC(O)3C(O)C=45)=O)))))C(C)(C)CCC=6)'
p19776
sS'20-HYDROXY-3-OXOPREGN-4-EN-21-AL'
p19777
S'CC34([CH]2([CH]([CH]1(C(C(C(C=O)O)CC1)(CC2)C))CCC3=CC(=O)CC4))'
p19778
sS'D-SEDOHEPTULOSE-7-P'
p19779
S'C(O)C(C(O)C(C(O)C(COP(=O)([O-])[O-])O)O)=O'
p19780
sS'CPD-1911'
p19781
S'CCCCCC(O)C=CC1(C=CC(C(CCCCCCC(=O)[O-])1)=O)'
p19782
sS'CPD-1910'
p19783
S'CC(C)C2(CCC(C)CC(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p19784
sS'CPD-1912'
p19785
S'CCCCCC(C=CC1(C(CCCCCCC([O-])=O)C(=O)CC=1))O'
p19786
sS'4-TRIMETHYLAMMONIOBUTANAL'
p19787
S'C(CC[CH]=O)[N+](C)(C)C'
p19788
sS'CPD0-1035'
p19789
S'C(OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N2(C=NC3(=C2N=C(NC(=O)3)NO)))'
p19790
sS'CPD-8892'
p19791
S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p19792
sS'CPD0-1037'
p19793
S'C(OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O)C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=S)2))'
p19794
sS'CPD0-1036'
p19795
S'C1(CC(ON=1)C(C([O-])=O)[N+])Cl'
p19796
sS'CPD0-1031'
p19797
S'C(C1(=C(C(=C(C(=C1Cl)C#N)Cl)Cl)Cl))#N'
p19798
sS'CPD-8896'
p19799
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC(O)C1(O)(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p19800
sS'CPD0-967'
p19801
S'C(OP(=O)([O-])[O-])CCCCCOP(=O)([O-])[O-]'
p19802
sS'CPD0-1032'
p19803
S'C([N+])CCC([N+])CC(=O)[O-]'
p19804
sS'CPD-8898'
p19805
S'CCC4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N(C)[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p19806
sS'CPD0-1038'
p19807
S'C(N)(=[N+])S(=O)[O-]'
p19808
sS'19-OXO-TESTOSTERONE'
p19809
S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(C=O)([CH]2CC3)CCC(=O)C=4)))'
p19810
sS'Aryl-Carrier-Protein-Group'
p19811
S'CC(C)(COP(=O)([O-])OCC(N[an'
p19812
sS'CPD-17150'
p19813
S'CCC(CC(C)C(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2))C'
p19814
sS'CPD-10801'
p19815
S'CC(O)CC(=O)NC(CCO)C(=O)[O-]'
p19816
sS'UROCORTISONE'
p19817
S'CC34(CCC(O)CC(CCC1(C(C(=O)CC2(C1CCC(O)2C(=O)CO)(C))3))4)'
p19818
sS'CPD-3425'
p19819
S'C2(=C(C(C3(C=CC(OC1(C(C(O)C(C(COC(CC([O-])=O)=O)O1)O)O))=CC(O2)=3))=O)C4(C=CC(O)=CC=4))'
p19820
sS'CPD-12686'
p19821
S'CC2(C(NC3(C(O)[CH]1(C=CCCC1))(C(=O)OC23C))=O)'
p19822
sS'CPD-14390'
p19823
S'CCOC(=O)C2([CH]3([N+](C)[CH](CC(OC(C1(C=CC=CC=1))=O)2)CC3))'
p19824
sS'4-HYDROXYMETHYLPHENYLHYDRAZINE'
p19825
S'C1(C=C(C=CC=1CO)NN)'
p19826
sS'CPD-3422'
p19827
S'C3(OC4(=CC(OC1(C(O)C(C(O)C(COC(CC([O-])=O)=O)O1)O))=CC(O)=C(C(=O)C(C2(=CC=C(C=C2)O))=3)4))'
p19828
sS'CPD-15245'
p19829
S'[CH](=O)C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p19830
sS'CPD-15244'
p19831
S'CCCCCCCCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19832
sS'CPD-12567'
p19833
S'CC(=O)NC1(C(O)OC(CO)C(O)C(OS(=O)(=O)[O-])1)'
p19834
sS'CPD-15246'
p19835
S'CCCCCCCCCCCCCC(CC(=O)OC4(CN(C)C(C(OC1(C(O)C(O)C(C[N+])O1))C3(OC(C2(N=CC(=O)NC(=O)2))C(O)C(O)3))C(=O)N(C)C(C([O-])=O)4))OC(=O)CC(C)CC(=O)OC5(OC(C)C(OC)C(OC)C(OC)5)'
p19836
sS'CPD-12561'
p19837
S'C1(=CC(O)=CC(O)=C1)'
p19838
sS'CPD-13317'
p19839
S'C(=O)N[C-]1(C(=O)N=C(N)[N+]=C(N)1)'
p19840
sS'CPD-15243'
p19841
S'CC(C3(C2(C)(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC(C)(C1=CCC(C)([CH]2CC3)4)5))))))C'
p19842
sS'CPD-14394'
p19843
S'CCC=CCC=CCC=CCC=CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19844
sS'CPD-15249'
p19845
S'CC(C)CCCCCCCCCC(CC(=O)OC4(CN(C)C(C(OC1(C(O)C(O)C(C[N+])O1))C3(OC(C2(N=CC(=O)NC(=O)2))C(OS(=O)(=O)[O-])C(O)3))C(=O)N(C)C(C([O-])=O)4))OC(=O)CC(C)CC(=O)[O-]'
p19846
sS'CPD-15248'
p19847
S'CCCCCCCCCCCC(CC(=O)OC4(CN(C)C(C(OC1(C(O)C(O)C(C[N+])O1))C3(OC(C2(N=CC(=O)NC(=O)2))C(OS(=O)(=O)[O-])C(O)3))C(=O)N(C)C(C([O-])=O)4))OC(=O)CC(C)CC(=O)OC5(OC(C)C(OC)C(OC)C(OC)5)'
p19848
sS'HYDROXYTRIDECANE-ETCETERA-TRICARBOXYLATE'
p19849
S'CCCCCCCCCCC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]'
p19850
sS'CPD-18636'
p19851
S'CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)CC'
p19852
sS'CPD-9592'
p19853
S'C(O)C1(OC(C(O)C(O)C(O)1)OC(=O)CC2(C(=O)NC3(C2=CC=CC=3)))'
p19854
sS'CPD-4590'
p19855
S'C2(OC1(OC3(=CC4(=C(C(O)=C(C1C=2)3)C(=O)C5(C(O)=CC=CC(O4)=5)))))'
p19856
sS'CPD-9595'
p19857
S'C(C(CC1(C=CC=CC=1))NC(=O)CC3(C(NC2(C=CC=CC=23))=O))(=O)[O-]'
p19858
sS'CPD-14397'
p19859
S'CCCCCC1(OC1CC=CCCCCCCCC([O-])=O)'
p19860
sS'5-HYDROXYINDOLE_ACETALDEHYDE'
p19861
S'C1(NC2(C(C(CC=O)=1)=CC(=CC=2)O))'
p19862
sS'CPD0-1456'
p19863
S'CC(NC(=O)C(C)OC1(C(C(OC(C(O)1)CO)OP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3)))NC(C)=O))C(=O)[O-]'
p19864
sS'CPD-18023'
p19865
S'CC(C)C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p19866
sS'CPD-9225'
p19867
S'CC2(=C(C(C1(C=CC=CC=1Cl))=NO2)C(NC3(C(N4(C(C(=O)[O-])C(C)(C)SC34))=O))=O)'
p19868
sS'CPD-16538'
p19869
S'C(OC(=O)CC(=O)O)C7(C(O)C(O)C(O)C(OC6(=C4(C([O+]=C(C(OC2(OC(C(O)C(O)C(OC1(OCC(O)C(O)C(O)1))2)COC(C=CC3(C=CC(O)=CC=3))=O))=C4)C5(=CC(O)=C(O)C=C5))=CC(O)=C6)))O7)'
p19870
sS'CPD-15918'
p19871
S'C1(NC=C(Cl)C=1C2(C(N=O)=C(Cl)C=CC=2))'
p19872
sS'CPD-16536'
p19873
S'C1(C=C(O)C=CC=1C=CC(=O)OCC6(OC(OC3(C(=[O+]C2(C(=C([O-])C=C(O)C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))'
p19874
sS'CPD-16537'
p19875
S'C(O)C7(C(O)C(O)C(O)C(OC6(=C4(C([O+]=C(C(OC2(OC(C(O)C(O)C(OC1(OCC(O)C(O)C(O)1))2)COC(C=CC3(C=CC(O)=CC=3))=O))=C4)C5(=CC(O)=C(O)C=C5))=CC(O)=C6)))O7)'
p19876
sS'CPD-16534'
p19877
S'CC(C)C1(=C(C=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))O)'
p19878
sS'CPD-9224'
p19879
S'CC2(=C(C(C1(C=CC=CC=1))=NO2)C(NC3(C(N4(C(C(=O)[O-])C(C)(C)SC34))=O))=O)'
p19880
sS'O-DICHLOROBENZENE'
p19881
S'C1(C=CC(=C(Cl)C=1)Cl)'
p19882
sS'SULFATE'
p19883
S'O=S(=O)([O-])[O-]'
p19884
sS'CPD-16530'
p19885
S'C1(C=C(O)C(O)=CC=1C3(OC4(C(CC(OC(=O)C2(C=C(O)C(O)=C(O)C=2))3)=C(O)C=C(O)C=4)))'
p19886
sS'CPD-16531'
p19887
S'C1(C(O)=C(O)C(O)=CC=1C3(OC4(C(CC(OC(=O)C2(C=C(O)C(O)=C(O)C=2))3)=C(O)C=C(O)C=4)))'
p19888
sS'CPD-9216'
p19889
S'CC7(C[N+]3(C(C(C2(C1(CCC4(C)(C5(CCC(CC(=CCC(C1CC23)4)5)OC6(OC(C(C(C6O)O)O)O))C))C))C)CC7))'
p19890
sS'CPD0-1445'
p19891
S'CC([N+])C(=O)NC(C([O-])=O)CCC(=O)[O-]'
p19892
sS'CPD-9214'
p19893
S'CC8(CCC9(C(C)C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(C(C(C(C(CO)O5)OC6(C(C(C(C(C)O6)O)O)O))O)OC7(C(C(C(C(C)O7)O)O)O))))))[N+](C8)9)))'
p19894
sS'CPD-9215'
p19895
S'CC7(CCC8(C(C)C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(C(C(C(C(CO)O5)O)O)OC6(C(C(C(C(C)O6)O)O)O))))))[N+](C7)8)))'
p19896
sS'CPD0-1440'
p19897
S'C1(CC(C(=O)[O-])CC(C(=O)[O-])([N+])C1)'
p19898
sS'CPD-9213'
p19899
S'CC1(CCC2([N+](C1)C3(CC4(C(C)(C(C(C)2)3)CCC5(C4CC=C6(C(C)5CCC(C6)OC7(OC(C(C(C7O)O)O)CO)))))))'
p19900
sS'CPD-9210'
p19901
S'CC8(CCC9(C(C)C3(C(CC2(C4(CC=C1(CC(CCC(C)1C(CCC(C)23)4)OC5(C(C(C(C(CO)O5)O)OC6(C(C(C(C(CO)O6)O)O)O))OC7(C(C(C(C(C)O7)O)O)O))))))[N+](C8)9)))'
p19902
sS'CPD-9598'
p19903
S'CC=CC=CC=CC(OC(C=CC=CC=CC)CCCCCCCC1(C(O)=C(C=CC=1)O))CCCCCCCC2(C=CC=C(O)C(O)=2)'
p19904
sS'CPD-12626'
p19905
S'CC(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=CC=CC=C(C=CC=C(CCC=C(CCCC(O)(C)C)C)C)C'
p19906
sS'CPD-12622'
p19907
S'CCC=CC=CC=CCCCCCCCC1(=C(O)C(O)=CC=C1C(C)C=CC=CC=CCCCCCCCC2(=C(O)C(O)=CC=C2))'
p19908
sS'CPD0-1449'
p19909
S'CC(OO)(C)C1(=CC=CC=C1)'
p19910
sS'CPD-12620'
p19911
S'CC=CC=CCC=CCCCCCCCC1(C(O)=C(O)C=CC=1)'
p19912
sS'CPD-9219'
p19913
S'CC2(C)(C(C(=O)[O-])N1(C(C(C1S2)NC(C(C3(C=CC=CC=3))S(=O)(=O)[O-])=O)=O))'
p19914
sS'CPD-17844'
p19915
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCO)C'
p19916
sS'CPD0-1458'
p19917
S'C(O)CCOP([O-])([O-])=O'
p19918
sS'CPD-10848'
p19919
S'CC1(=C(Cl)C(=O)OC(=CC([O-])=O)1)'
p19920
sS'CPD-10849'
p19921
S'CC1(=C(Cl)C(=CC([O-])=O)OC(=O)1)'
p19922
sS'CPD-10755'
p19923
S'CC(O)C(NC(=O)C)[CH]3(C(C(CC(C([O-])=O)(OP(OCC1(C(C(C(O1)N2(C=CC(=NC2=O)N))O)O))([O-])=O)O3)O)NC(=O)C)'
p19924
sS'CPD-10844'
p19925
S'CC(C([O-])=O)C(C=C(Cl)C(=O)[O-])=O'
p19926
sS'CPD-10845'
p19927
S'CC(=C(Cl)C(=O)CC([O-])=O)C(=O)[O-]'
p19928
sS'CPD-10846'
p19929
S'CC(=C(Cl)C(=O)[O-])C(=O)CC([O-])=O'
p19930
sS'CPD-10847'
p19931
S'CC(C([O-])=O)=C1(OC(=O)C(Cl)=C1)'
p19932
sS'CPD-10840'
p19933
S'CC1(=C(O)C(O)=C(Cl)C(Cl)=C1)'
p19934
sS'CPD-10841'
p19935
S'CC(C([O-])=O)=CC(Cl)=C(C([O-])=O)Cl'
p19936
sS'CPD-10842'
p19937
S'CC1(=CC(=C(C([O-])=O)Cl)OC(=O)1)'
p19938
sS'CPD-10843'
p19939
S'CC(=CC(=O)C(C([O-])=O)Cl)C(=O)[O-]'
p19940
sS'CPD-7545'
p19941
S'C(=O)([O-])C([N+])CSC(=[N+]O)CC1(C=CC=CC=1)'
p19942
sS'CPD-7546'
p19943
S'CSCCCC(SCC([N+])C(=O)[O-])=NO'
p19944
sS'CPD-7547'
p19945
S'C(SCC(N)C(=O)O)(CC2(=CNC1(C=CC=CC=12)))=NO'
p19946
sS'CPD-2061'
p19947
S'CCCI'
p19948
sS'PHOSPHORAMIDATE'
p19949
S'NP(=O)([O-])[O-]'
p19950
sS'CPD-15913'
p19951
S'CC(C)=CCCC(C)=CCCC(C)=CCC12(OC(C)1N(C3(C=CC=CC(C2=O)=3))O)'
p19952
sS'CPD-12263'
p19953
S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCC(O)CCCC)COC(CCCCCCCCCC=CCC(O)CCCC)=O'
p19954
sS'CPD-9078'
p19955
S'CCC(=O)C(=O)CC'
p19956
sS'CPD-15440'
p19957
S'CC7(CCC3(O[CH]4(C[CH]5([CH]2(CC=C1(CC(CCC(C)1[CH]2CCC(C)(C(C(C)3)4)5)OC6(OC(CO)C(C(O)C(O)6)O))))))(OC7))'
p19958
sS'CPD-12491'
p19959
S'C(SO)C1(=CC=CC=C1)'
p19960
sS'CPD-9077'
p19961
S'C(Br)C(=O)C(=O)CBr'
p19962
sS'CPD-12490'
p19963
S'C(=[S+][O-])C1(=CC=CC=C1)'
p19964
sS'CPD-397'
p19965
S'C[S+](CCC([N+])C(=O)[O-])C'
p19966
sS'CPD-396'
p19967
S'C[N+]1(=CC=CC(=C1)C(=O)N)'
p19968
sS'CPD-395'
p19969
S'COC1(=CC=CC=C1)'
p19970
sS'CPD-12197'
p19971
S'CC(=O)C1(CC(O)[CH]2(C(C)1CC[CH]3([CH]2CCC4(=CC(=O)CCC(C)34))))'
p19972
sS'CPD-393'
p19973
S'C[N+]1(C=CC=CC=1)'
p19974
sS'CPD-12191'
p19975
S'CCC=CCCC(O)CC(C)=C(CCCCCCCCCC([O-])=O)C'
p19976
sS'CPD-391'
p19977
S'C[N+]CCC1(C=CC(=CC=1)O)'
p19978
sS'CPD-12193'
p19979
S'CCCCCCC(O)CC=CCCCCCCCC([O-])=O'
p19980
sS'1-7-DIMETHYLXANTHINE'
p19981
S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p19982
sS'CPD-12199'
p19983
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(=CC=C(O)C=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p19984
sS'CPD-399'
p19985
S'CC2(=CN(C1(CC(C(O1)COP([O-])([O-])=O)O))C(N=C2N)=O)'
p19986
sS'CPD-398'
p19987
S'CC(C(=O)C(=O)[O-])C2(=CNC1(C=CC=CC=12))'
p19988
sS'CPD-17086'
p19989
S'CCCCCCC=CCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCCCCCC)=O'
p19990
sS'CPD-18144'
p19991
S'C2(C(=O)C1(C=CC=CC=1N2))'
p19992
sS'PORPHYRIN-RING'
p19993
S'C5(=CC4(=CC1(=NC(C=C1)=CC2(C=CC(N=2)=CC3(=NC(C=C3)=CC(=N4)5)))))'
p19994
sS'COUMARIN'
p19995
S'C1(OC2(=CC=CC=C(C=C1)2))=O'
p19996
sS'CPD-10852'
p19997
S'CC(C([O-])=O)=C(Cl)C=C(C([O-])=O)Cl'
p19998
sS'METHACRYLYL-COA'
p19999
S'C=C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C'
p20000
sS'CPD-15049'
p20001
S'COC3(C1(C=COC=1C(OC)=C2(OC(=O)C=CC2=3)))'
p20002
sS'CPD-10791'
p20003
S'CC(=O)C(O)C(O)C(=O)COP([O-])(=O)[O-]'
p20004
sS'A-2-DEOXY-D-GLUCOSIDE'
p20005
S'C(C1(C(C(CC(O1)O[R])O)O))O'
p20006
sS'CPD-17661'
p20007
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)CC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CC(O)C2(C)C)=O)C)'
p20008
sS'CPD-17660'
p20009
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)CC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(CCC2(C)C)=O)C)'
p20010
sS'CPD-17663'
p20011
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)C(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(C(O)C2(C)C)O)C)'
p20012
sS'CPD-17662'
p20013
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)C(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CC(CC2(C)C)O)C)'
p20014
sS'CPD-17665'
p20015
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C(O)C(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(C(C(CC2(C)C)O)=O)C)'
p20016
sS'CPD-17664'
p20017
S'CC(C=CC=C(C=CC1(C(C(O)C(C(C=1C)=O)O)(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC2(=C(C(C(C(O)C2(C)C)O)=O)C)'
p20018
sS'CPD-9043'
p20019
S'CC8(CCC([O-])=O)(C(CC([O-])=O)=C5([N+]2(=C(CC1(C(CCC([O-])=O)=C(CC(=O)[O-])C3(C)([N+]=1[Co--]72([N+]4(C(C3)=C(C(C)(CC([O-])=O)C=4C=C6(C(C(C5(C)N67)(C)CC([O-])=O)CCC(=O)[O-]))CCC([O-])=O)))))8)))'
p20020
sS'CPD-17666'
p20021
S'C3(OC2(C([N+])CC([N+])C(OC1(OCC(O)C([N+]C)C(OP(=O)([O-])[O-])1))C(O)2))(OC(CO)C(O)C(O)C([N+])3)'
p20022
sS'THZ'
p20023
S'CC1(N=CSC(CCO)=1)'
p20024
sS'CPD-13571'
p20025
S'CC2(C)(C(O)C(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p20026
sS'CPD-13570'
p20027
S'CC2(C)(CC(C1(O)(CC=C(C([O-])=O)CC1))=CCC2)'
p20028
sS'CPD-13573'
p20029
S'CC2(C)(CC(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p20030
sS'CPD-3684'
p20031
S'C1(=O)(C(=O)NC(=O)NC(=O)1)'
p20032
sS'CPD-13575'
p20033
S'CC1(C(=CCOP([O-])(=O)[O-])SC(C(=O)[O-])N=1)'
p20034
sS'CPD-3682'
p20035
S'C([N+])CN'
p20036
sS'CPD-3681'
p20037
S'CCCCC[N+]'
p20038
sS'CPD-13576'
p20039
S'CC1(=C(CCOP([O-])(=O)[O-])SC(C(=O)[O-])=N1)'
p20040
sS'CPD-13578'
p20041
S'CC1(=NC(=C(C[N+])C=N1)N)'
p20042
sS'TDP-D-FUCOSAMINE'
p20043
S'CC3(=CN(C2(OC(COP(OP(OC1(C(C(C([N+])C(O1)C)O)O))([O-])=O)([O-])=O)C(C2)O))C(NC(=O)3)=O)'
p20044
sS'CPD-10534'
p20045
S'CC([CH]3(CC[CH]4([CH]2(C(O)C[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p20046
sS'CPD-9042'
p20047
S'CC1(C89(C(C)(CC(=O)O1)C(C3(N([Co--]46([N+]2(C(=C(CCC(=O)[O-])C(C)(CC(=O)[O-])C=2C=3)CC5(C)(N4C(C(CCC(=O)[O-])=C(CC(=O)[O-])5)=CC7(C(C)(CCC(=O)[O-])C(CC(=O)[O-])=C([N+]6=7)8)))))9))CCC(=O)[O-]))'
p20048
sS'CPD-8706'
p20049
S'CC(C3(=CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p20050
sS'CPD-11715'
p20051
S'C(=O)(NCC(=O)[O-])CC1(C=CC=CC=1)'
p20052
sS'CPD-11714'
p20053
S'CC(=CCCC(C)=CCCC(=CCC1(=C(O)C(C)=CC(O)=C1))C)C'
p20054
sS'NAPHTHALENE'
p20055
S'C1(C=C2(C(=CC=1)C=CC=C2))'
p20056
sS'CPD-17005'
p20057
S'C[N+](C)(C)C(CCC1(=NC(=CN1)CC([N+])C([O-])=O))C(=O)N'
p20058
sS'CPD-17004'
p20059
S'C[N+](C)(C)C(CCC1(=NC(=CN1)CC([N+])C(=O)[O-]))C(=O)[O-]'
p20060
sS'CPD-8309'
p20061
S'CCCCCCCCCCCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p20062
sS'CPD-17006'
p20063
S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)[CH]=O'
p20064
sS'CPD-17001'
p20065
S'CC(=O)CC(C(C)=O)C1(C=CC=CC=1)'
p20066
sS'CPD-17000'
p20067
S'CCCCCCC(C(C)=O)CC(=O)C'
p20068
sS'PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE'
p20069
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(N1(C=NC(C(=O)N)=C(NC=O)1))O2)'
p20070
sS'CPD-17002'
p20071
S'CC(=O)C(C1(=CC=CC=C1))CC(=O)C2(C=CC=CC=2)'
p20072
sS'CPD-8303'
p20073
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCC=CCC=CCCCCC)=O'
p20074
sS'CPD-8302'
p20075
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCC=CCC=CCCCCC)=O'
p20076
sS'CPD-8301'
p20077
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCC=CCCCCCCCC)=O'
p20078
sS'DEOXYCYTIDINE'
p20079
S'C1(=CN(C(=O)N=C(N)1)C2(CC(O)C(CO)O2))'
p20080
sS'CPD-8307'
p20081
S'CCCCCCCCCCCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p20082
sS'CPD-8306'
p20083
S'CCCCCCCCCCCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p20084
sS'CPD-8305'
p20085
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCC=CCC=CCC=CCC)=O'
p20086
sS'CPD-8304'
p20087
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCC=CCC=CCC=CCC)=O'
p20088
sS'CPD-5561'
p20089
S'CCC(C)C(=O)OC3(CC(C)C=C2(C=CC(C)C(CCC1(CC(O)CC(=O)O1))[CH]23))'
p20090
sS'DEOXYRIBOSE-TRIPHOSPHATE'
p20091
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(O)CC(O)1)'
p20092
sS'CPD-16600'
p20093
S'CNC1(C(=CC=CC=1)C(OC2(OC(C(O)C(O)C(O)2)CO))=O)'
p20094
sS'RIFAMYCIN-B'
p20095
S'CC2(C=CC=C(C)C(=O)NC1(C=C(OCC([O-])=O)C4(=C(C(O)=1)C([O-])=C(C)C3(OC(OC=CC(OC)C(C)C(C(C)C(O)C(C)C(O)2)OC(=O)C)(C)C(=O)C=34))))'
p20096
sS'RIFAMYCIN-O'
p20097
S'CC3(C=CC=C(C)C(=O)NC2(=CC1(OC(=O)CO1)C5(=C(C(=O)2)C(O)=C(C)C4(OC(OC=CC(OC)C(C)C(C(C)C(O)C(C)C(O)3)OC(=O)C)(C)C(=O)C=45))))'
p20098
sS'7-METHYLGUANOSINE-5-PHOSPHATE'
p20099
S'C[N+]2(=CN(C1(C(O)C(O)C(COP(=O)([O-])[O-])O1))C3(=C2C(=O)NC(N)=N3))'
p20100
sS'N-BENZOYL-4-METHOXYANTHRANILATE'
p20101
S'COC1(=CC=C(C(=O)[O-])C(=C1)NC(=O)C2(C=CC=CC=2))'
p20102
sS'CPD-15954'
p20103
S'CCC1(C(C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(=O)O1)OC2(OC(C)C(O)C([N+](C)C)C(O)2))COC3(OC(C(O)C(O)C(OC)3)C))'
p20104
sS'CPD-8062'
p20105
S'C(C3(C(C(C(C(OC1(=CC(=CC(=C1C(C=CC2(C=CC(=CC=2)O))=O)O)O))O3)O)O)O))O'
p20106
sS'5-TERT-BUTYLAMINOL-2-HYDROXYPRO-1234-TET'
p20107
S'CC(C)(COCCCO)NC2(=CC=CC1(=C(CCCC(O)1)2))'
p20108
sS'CPD-3746'
p20109
S'CS(=O)(=O)[O-]'
p20110
sS'CPD-8067'
p20111
S'C5(C(C4(OC1(C=C(C=C(C=1C(C(OC2(C(C(C(O)C(O2)CO)O)OC3(C(C(C(O)C(O3)CO)O)O)))=4)=O)O)[O-])))=CC=C(C=5)O)'
p20112
sS'CPD-18943'
p20113
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)C)=1)'
p20114
sS'CPD-3744'
p20115
S'CCCCS(=O)(=O)[O-]'
p20116
sS'CPD-3745'
p20117
S'C(CO)S(=O)(=O)[O-]'
p20118
sS'MI-HEXAKISPHOSPHATE'
p20119
S'C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)'
p20120
sS'CPD-15748'
p20121
S'CC(C)CC(C(NC9(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)O))OC8(=C(Cl)C=C(C=C8)C9O))))OC%10(OC(C)C(O)C([N+])(C)C%10))=O))=O))=O)=O))=O)[N+]C'
p20122
sS'N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL'
p20123
S'C[N+]1(C(C2(C(CC1)=CC=CC=2))CC3(C=CC=CC=3))'
p20124
sS'CPD-15740'
p20125
S'CCC4(CC(C3(C(=C2(C(C1(C(=CC=CC=1C(C2=C(C=3C(C([O-])=O)4)O)=O)OC))=O))O))OC5(OC(C)C(O)C([N+])C5))O'
p20126
sS'CPD-15741'
p20127
S'COC3(=C(OC)C=CC(CC1([N+](CCC2(C1=CC(=C(OC)C=2)OC))C))=C3)'
p20128
sS'CPD-15742'
p20129
S'COC3(=C(OC)C=CC(CC1(=NC=CC2(=C1C=C(C(OC)=C2)OC)))=C3)'
p20130
sS'CPD-8559'
p20131
S'C(O)C1(C(O)C(O)C(O)C(O1)OP([O-])(=O)OCC2(C(O)C(O)C(O)C(O[a'
p20132
sS'CPD-15744'
p20133
S'CC(C)CC(C(NC9(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6OC7(C(C(C(C(CO)O7)O)O)O))OC8(=C(Cl)C=C(C=C8)C9O))))O)=O))=O))=O)=O))=O)[N+]C'
p20134
sS'CPD0-1203'
p20135
S'C1(C(O)C(O)C(O)C(F)O1)'
p20136
sS'CPD0-1200'
p20137
S'C(O)C(O)C(O)CC(=O)C(=O)[O-]'
p20138
sS'CPD-15951'
p20139
S'CCCCCCCCC=CCCCCCCCC(OC4(CCC1(C)(C(=CC[CH]2([CH]1CCC3(C)([CH](C(CCCC(C)C)C)CC[CH]23)))C4)))=O'
p20140
sS'ISOPENICILLIN-N'
p20141
S'CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))'
p20142
sS'CPD-8668'
p20143
S'CC2(=C(C=O)C(C)(C)CC(OC1(C(C(C(C(O1)CO)O)O)O))C2)'
p20144
sS'CPD-9346'
p20145
S'CN1(C(=O)NC(=O)NC(=O)1)'
p20146
sS'N-DESULFOHEPARIN'
p20147
S'C(OS(O)(=O)=O)C2(C(OC1(OC(C(O)=O)C(O[R])C(O)C(OS(O)(=O)=O)1))C(O)C(N)C(O[R])O2)'
p20148
sS'L-PIPECOLATE'
p20149
S'C1(CCCC(C([O-])=O)[N+]1)'
p20150
sS'CPD-7302'
p20151
S'CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20152
sS'CPD-7300'
p20153
S'C(O)C2(CC(NC1(C=CC([N+]([O-])=O)=CC=1))C(O)C(O)C(O)2)'
p20154
sS'CPD-7301'
p20155
S'C(C1(C(C(C(C(C1)[N+])O)O)O))O'
p20156
sS'CPD-14928'
p20157
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20158
sS'CPD-14298'
p20159
S'C([O-])(=O)C(C=CCC(C1(C=CC=CC=1))=O)=O'
p20160
sS'CPD-18248'
p20161
S'CC6(OC5(C(=C(O)C4(C(O)=C(C3(C(=O)C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC=2C(=O)C(OC)=3))))C(OC)=CC=4C=5))C(=O)C=6))'
p20162
sS'CPD-18249'
p20163
S'CC6(OC5(C(=C(O)C4(C(O)=C(C3(C(=O)C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC=2C(=O)C(OC)=3))))C(OC)=C(O)C=4C=5))C(=O)C=6))'
p20164
sS'CPD-14923'
p20165
S'CCCCCCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p20166
sS'CPD-18247'
p20167
S'CC6(OC5(C(=C(O)C4(C(O)=C(C3(=C(O)C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC=2C(O)=C(OC)3))))C(OC)=CC=4C=5))C(=O)C=6))'
p20168
sS'CPD-14297'
p20169
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC2(OC(C)C(NC(=O)C)C(OC1(OC(CO)C(O)C(O)C(O)1))C(NC(=O)C)2))([O-])=O)C)C)C)C)C)C)C'
p20170
sS'CPD-14296'
p20171
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC3(OC(C)C(NC(=O)C)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))C(NC(=O)C)3))([O-])=O)C)C)C)C)C)C)C'
p20172
sS'CPD-18242'
p20173
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C=C1C=2))C(=O)C=3))'
p20174
sS'CPD-18243'
p20175
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C(O)=C1C=2))C(=O)C=3))'
p20176
sS'CPD-14925'
p20177
S'CCCCCCC=CCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20178
sS'CPD-14292'
p20179
S'CCCCCCCCC=CCCCCCCCCCCCC([O-])=O'
p20180
sS'S-PHOSPHOLACTATE'
p20181
S'CC(C(=O)[O-])OP(=O)([O-])[O-]'
p20182
sS'CPD-15528'
p20183
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(CCC(C(C)O7)O))O))[N+](C)C))O)=O)O))=O)))O'
p20184
sS'CPD-15529'
p20185
S'CCC4(C(C(=O)OC)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)OC6(CC(C(C(C)O6)OC7(C=CC(C(C)O7)=O))O))[N+](C)C))O)=O)O))=O)))O'
p20186
sS'CPD-15524'
p20187
S'C(Cl)CC(O)C1(=CC=CC=C1)'
p20188
sS'CPD-15526'
p20189
S'CC23(C1(C(C(=O)NC(=O)N1)(C)C(NCNC(=O)2)3))'
p20190
sS'CPD-12184'
p20191
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C=CC1(C=CC(O)=CC=1))COP(=O)([O-])OP(=O)([O-])OCC2(C(OP(=O)([O-])[O-])C(O)C(O2)N4(C=NC3(C(N)=NC=NC=34)))'
p20192
sS'PHENYL'
p20193
S'CC(=O)C1(C=CC=CC=1)'
p20194
sS'CPD-15521'
p20195
S'CC(=O)CCC(=O)C'
p20196
sS'CPD-15522'
p20197
S'CC(O)CCC(O)C'
p20198
sS'CHLORALAN-CPD'
p20199
S'C(Cl)C([N+])C([O-])=O'
p20200
sS'CPD-7046'
p20201
S'[S--]'
p20202
sS'CPD-9469'
p20203
S'CC8(CCC7(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C)OC4(C(C(C(C(O4)C(=O)[O-])OC5(C(C(C(C(CO)O5)O)O)O))OC6(C(C(C(C(CO)O6)O)O)O))O))C))C))C7C8)C)C(=O)[O-])C'
p20204
sS'11-DEOXYCORTICOSTERONE'
p20205
S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p20206
sS'CPD-15952'
p20207
S'CN(N=O)C(=N)NN(=O)=O'
p20208
sS'ALPHA-TOCOPHEROL'
p20209
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))'
p20210
sS'CPD-14971'
p20211
S'COC1(C=CC(=CC=1)C2(OC4(C(C(=O)C=2O)=C(O)C=C(OC3(C(C(C(O)C(O3)CO)O)O))C=4)))'
p20212
sS'24R-24-METHYLCYCLOARTA-825-DIEN-3-BET'
p20213
S'C=C(C)C(C)CCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p20214
sS'CPD-14431'
p20215
S'C2(OC3(=C(C(OC1(C(C(C(O)C(O1)CO)O)O))=C2)C=CC=C(O)3))(=O)'
p20216
sS'CPD-14430'
p20217
S'COC2(C1(OC(C=CC=1C=CC(O)=2)=O))'
p20218
sS'CPD-14432'
p20219
S'CCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20220
sS'CPD-14435'
p20221
S'CC=C(C(C([O-])=O)=O)C([O-])=O'
p20222
sS'CPD-14434'
p20223
S'C2(OC3(=C(C=C(OC1(C(C(C(O)C(O1)CO)O)O))2)C=CC=C(O)3))(=O)'
p20224
sS'CPD-14437'
p20225
S'CC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C([O-])=O'
p20226
sS'CPD-14436'
p20227
S'CC(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(N)=O'
p20228
sS'PTERIDINE-RING'
p20229
S'C1(C=NC2(C=NC=NC(N=1)=2))'
p20230
sS'2-METHOXYETHYLAMINE'
p20231
S'C(C[N+])OC'
p20232
sS'CPD0-2207'
p20233
S'CCCCCCCCCCCC(=O)OC(CO)COP(OCC(CO)O)([O-])=O'
p20234
sS'CPD-60'
p20235
S'C1(NC(CN=1)=O)'
p20236
sS'CPD0-2205'
p20237
S'CC(=O)N(CCC[CH]1(C(=O)NCC(=O)NCC(=O)NCC(=O)N[CH](CCCN(O)C=O)C(=O)N[CH](CCCN(C(C)=O)O)C(=O)N1))O'
p20238
sS'STEROID-O-SULFATE'
p20239
S'CC24(CCCC(C3(CCC1(=CC(=CC=C1C(CC2)3)OS(=O)(=O)[O-])))4)'
p20240
sS'PENTANOYLCOA-CPD'
p20241
S'CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p20242
sS'CPD0-2200'
p20243
S'CCCCCCCCCCCC(=O)OCC(O)COP(=O)([O-])[O-]'
p20244
sS'CPD-568'
p20245
S'CC(=O)NCCC[N+]CCCC[N+]'
p20246
sS'CPD-569'
p20247
S'CC(=O)NCCCC[N+]'
p20248
sS'CPD-564'
p20249
S'C(CC([N+])C(=O)[O-])SCC1(OC(O)C(O)C(O)1)'
p20250
sS'CPD-565'
p20251
S'CC(=O)NC=C(CC([O-])=O)C([O-])=O'
p20252
sS'CPD-566'
p20253
S'C(CCCNC(C1(C=CC=CC=1))=O)NC(N)=[N+]'
p20254
sS'CPD-567'
p20255
S'CC(NCCCCC([N+])C(=O)[O-])=O'
p20256
sS'CPD-560'
p20257
S'CSCC1(OC(C(C1O)O)O)'
p20258
sS'CPD-562'
p20259
S'C([O-])(=O)C1(C(C([O-])=O)O1)'
p20260
sS'CPD-13801'
p20261
S'CC(CCC(=O)C(C(=O)[O-])C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p20262
sS'CPD-13800'
p20263
S'CC(CCC(O)(C(C)C(O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C(C(=O)[O-])C)[CH]5(C6(CC[CH]7(C4(CCC(C=C4CC[CH]([CH](CC5)6)7)=O)C))(C))'
p20264
sS'CPD-13803'
p20265
S'CCC(CCC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))C)C(C)C([O-])=O'
p20266
sS'CPD-13802'
p20267
S'CCC(CCC([CH]2(C3(CC[CH]4(C1(CCC(C=C1CC[CH]([CH](CC2)3)4)=O)C))(C)))C)C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC5(C(OP([O-])(=O)[O-])C(O)C(O5)N7(C6(=C(C(N)=NC=N6)N=C7))))[O-])[O-])=O'
p20268
sS'CPD-13805'
p20269
S'CCC1(C(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(OC)C2)C))C)OC3(OC(CC([N+](C)C)C(O)3)C))'
p20270
sS'CPD-13804'
p20271
S'CCC1(C(O)(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(OC)C2)C))C)OC3(OC(CC([N+](C)C)C(O)3)C))'
p20272
sS'CPD-13807'
p20273
S'CCC3(C(O)(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C2(OC1(CC(C(C(O1)C)O)(OC)C)OCC2C(O3)=O))C)OC4(OC(CC([N+](C)C)C(O)4)C))'
p20274
sS'CPD-13806'
p20275
S'CCC1(C(C)C(O)C(C)C(=O)C(C)CC(O)(C)C(C(C(C(C(O1)=O)C)OC2(OC(C(O)C(C)(O)C2)C))C)OC3(OC(CC([N+](C)C)C(O)3)C))'
p20276
sS'CPD-13809'
p20277
S'CCC2(C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(OC)C(C(C)C(O[CH]1(OC(C)C(C(C)(OC)C1)O))C(C)C(=O)O2)O[CH]3(OC(C)CC(N(C)C)C(O)3))'
p20278
sS'CPD-13808'
p20279
S'CCC3(C(C)(O)C(O)C(C)[N+](C)CC(C)CC(C)(O)C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(OC2(OC(C)C(O)C(OC)(C)C2))C(C)C(=O)O3)'
p20280
sS'DIIODO-L-TYROSINE'
p20281
S'C1(C(=C([O-])C(=CC(CC(C(=O)[O-])[N+])=1)I)I)'
p20282
sS'GDP-TP'
p20283
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(O)C(OP(=O)([O-])OP(=O)(O)[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p20284
sS'CL-'
p20285
S'[Cl-]'
p20286
sS'FMNH2'
p20287
S'CC2(=CC1(NC3(C(=O)NC(=O)NC(N(CC(O)C(O)C(O)COP([O-])(=O)[O-])C=1C=C(C)2)=3)))'
p20288
sS'SER'
p20289
S'C(O)C([N+])C(=O)[O-]'
p20290
sS'HYDROGEN-PEROXIDE'
p20291
S'OO'
p20292
sS'CPD-8938'
p20293
S'[CH](=O)C(O)[CH]1(OCC(O)C(O)1)'
p20294
sS'CPD-8939'
p20295
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2([CH]3(CO[CH]2C(O)C(O3)OC4(C(O)C(CO)OC(C(O)4)OC6([CH]5(CO[CH](C(O)C(O5)O)6))))))'
p20296
sS'5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O'
p20297
S'CCCCCC(O)C=CC1(C(=O)CC(O)C(CC=CCCCC(=O)[O-])1)'
p20298
sS'3-SULFOCATECHOL'
p20299
S'C1(C=C(C(=C(S(=O)(=O)[O-])C=1)O)O)'
p20300
sS'CPD-8933'
p20301
S'C(=O)([O-])C(Cl)CC(=O)[O-]'
p20302
sS'CPD-8934'
p20303
S'C(C=CC1(=CC=C(C(=C1)O)O))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p20304
sS'CPD-8935'
p20305
S'COC1(C(=CC=C(C=1)C=CC(=O)NCCC3(C2(C=C(O)C=CC=2NC=3)))O)'
p20306
sS'CPD-8936'
p20307
S'C(C=CC1(=CC=C(C=C1)O))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p20308
sS'CPD-8937'
p20309
S'C(C=CC1(=CC=CC=C1))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p20310
sS'CPD-708'
p20311
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(O)CCC(C)1[CH]2CCC(C)34))))'
p20312
sS'BIFURCOSE'
p20313
S'C(O)C1(C(C(O)C(O)C(O1)OC2(OC(C(O)C(O)2)COC3(OC(C(C3O)O)CO)CO)(COC4(OC(C(C4O)O)CO)CO))O)'
p20314
sS'3-NITROTOLUENE'
p20315
S'CC1(=CC(=CC=C1)[N+]([O-])=O)'
p20316
sS'4-METHYLCATECHOL'
p20317
S'CC1(C=CC(O)=C(C=1)O)'
p20318
sS'CPD-700'
p20319
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p20320
sS'CPD-701'
p20321
S'CC1(C=CC(=CC=1)[N+](=O)[O-])'
p20322
sS'CPD-702'
p20323
S'C(O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p20324
sS'CPD-703'
p20325
S'C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p20326
sS'CPD-704'
p20327
S'C([O-])(=O)C1(C=CC([N+]([O-])=O)=CC=1)'
p20328
sS'CPD-705'
p20329
S'C(=O)([O-])C1(C=CC(NO)=CC=1)'
p20330
sS'CPD-706'
p20331
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p20332
sS'CPD-11528'
p20333
S'CCC=CCC4(C(=O)CCC(CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])4)'
p20334
sS'IMP'
p20335
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p20336
sS'PHOSPHORIBOSYL-AMP'
p20337
S'C(C4(C(C(C(N3(C(C2(=C(N(C1(C(C(C(O1)COP([O-])(=O)[O-])O)O))C=N2)N=C3))=N))O4)O)O))OP([O-])([O-])=O'
p20338
sS'CPD-7613'
p20339
S'CC(C(=O)NC(C([O-])=O)CCC(=O)NC(C(NC(C(=O)[O-])CCC([O-])=O)=O)CCC(=O)[O-])OP([O-])(=O)OCC(O)C(O)C(O)CN3(C1(C(C(=O)[N-]C(=O)N=1)=CC2(=CC=C(O)C=C23)))'
p20340
sS'CPD-11520'
p20341
S'CCC=CCC4(C(=O)CCC(CCCCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p20342
sS'CPD-11521'
p20343
S'CCC=CCC4(C(=O)CCC(CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p20344
sS'CPD-11522'
p20345
S'CCC=CCC4(C(=O)CCC(CCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p20346
sS'CPD-11523'
p20347
S'CCC=CCC4(C(=O)CCC(CCCC(O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p20348
sS'CPD-11524'
p20349
S'CCC=CCC4(C(=O)CCC(CCCC(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)4)'
p20350
sS'3-KETOBUTYRATE'
p20351
S'CC(=O)CC([O-])=O'
p20352
sS'CPD-11526'
p20353
S'CCC=CCC4(C(=O)CCC(CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])4)'
p20354
sS'CPD-11527'
p20355
S'CCC=CCC4(C(=O)CCC(CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])4)'
p20356
sS'CPD-1072'
p20357
S'C=CC1(C=CC(O)=C(C=1)OC)'
p20358
sS'CPD-1070'
p20359
S'C([O-])(=O)C=CC(CC(=O)C([O-])=O)=O'
p20360
sS'CPD-1071'
p20361
S'CC1(=C(C=C(C=N1)C([O-])=O)O)'
p20362
sS'CPD-1076'
p20363
S'COC1(C=CC(=CC=1)C([O-])=O)'
p20364
sS'BUTEIN'
p20365
S'C(=CC(C1(=CC=C(C=C(O)1)O))=O)C2(C=C(C(=CC=2)O)O)'
p20366
sS'CPD-1074'
p20367
S'C(CC1(=CC=C(C=C1)O))#N'
p20368
sS'CPD-1075'
p20369
S'C=CC1(C=CC(O)=CC=1)'
p20370
sS'CPD-15048'
p20371
S'C3(C(C1(C(=CC2(C(O)=C([O-])C(O)=CC([O+]=1)=2))[O-]))=CC=C(C=3)O)'
p20372
sS'S-ADENOSYLMETHIONINAMINE'
p20373
S'C[S+](CCC[N+])CC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p20374
sS'3-METHYLSULFINYLPROPYL-GLUCOSINOLATE'
p20375
S'CS(=O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p20376
sS'COUMARATE'
p20377
S'C(=O)([O-])C=CC1(=CC=C(O)C=C1)'
p20378
sS'CPD-15043'
p20379
S'C=C[CH]2(C(OC1(C(O)C(O)C(O)C(CO)O1))OC=C3(C(=O)N4(CC5(=CC6(C=CC=CC(N=C([CH](C[CH]23)4)5)=6)))))'
p20380
sS'CPD0-1108'
p20381
S'C(C1(C(O)C(O)C(O)O1))O'
p20382
sS'4-CHLORORESORCINOL'
p20383
S'C1(C(O)=CC(=C(C=1)Cl)O)'
p20384
sS'CPD-9625'
p20385
S'CC2(=C(O)C1(C(=O)C3(C=C(C(O)=CC(C(=O)C=1C=C2)=3)O)))'
p20386
sS'BISOHMYR-GLUCOSAMINYL-1P'
p20387
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])CO)O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p20388
sS'INDOLE-CARBOXYL-THIAZOLE'
p20389
S'C(C3(N=C(C1(=CNC2(=C1C=CC=C2)))SC=3))([O-])=O'
p20390
sS'CPD1G-852'
p20391
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC3(C(O)C(O)C(O)C(OC2(C(O)C(O)C(O)C(COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC1(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C1))O2))O3))=O)C(O)CCCCCCCCCCCCCCCCCC4(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C4)'
p20392
sS'CPD1G-853'
p20393
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC))O)O)O)))=O)C(O)CCCCCCCCCCCCCCCC4(CC4C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)'
p20394
sS'CPD1G-854'
p20395
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3))O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCCCC4(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)4)'
p20396
sS'CPD1G-855'
p20397
S'CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC3(C(O)C(O)C(O)C(OC2(C(O)C(O)C(O)C(COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCC1(CC(C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)=O)1))O2))O3))=O)C(O)CCCCCCCCCCCCCCCCCCC4(CC(C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)=O)4)'
p20398
sS'ARABINOSE-5P'
p20399
S'[CH](=O)C(C(C(COP([O-])([O-])=O)O)O)O'
p20400
sS'CPD8J2-19'
p20401
S'C2(O)(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)'
p20402
sS'CPD-1863'
p20403
S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p20404
sS'CPD-4141'
p20405
S'CC(C)=C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p20406
sS'CPD-4143'
p20407
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p20408
sS'N2-MALONYL-D-TRYPTOPHAN'
p20409
S'C1(C=CC2(NC=C(CC(NC(=O)CC(=O)[O-])C(=O)[O-])C(C=1)=2))'
p20410
sS'12-DIDECANOYLGLYCEROL'
p20411
S'CCCCCCCCCC(=O)OCC(CO)OC(CCCCCCCCC)=O'
p20412
sS'DEACETYLIPECOSIDE'
p20413
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(O)=C(O)C=C12)))3)OC4(OC(CO)C(O)C(O)C(O)4))'
p20414
sS'GLYCOCHENODEOXYCHOLIC_ACID'
p20415
S'CC(CCC(=O)NCC([O-])=O)[CH]2(CC[CH]3([CH]4(C(O)C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p20416
sS'CPD-17276'
p20417
S'CCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])[O-])CO'
p20418
sS'CPD-17277'
p20419
S'CC(O)C(P(=O)([O-])O)SCC([N+])C(=O)NC1(C(OC(CC(=O)[O-])C([O-])=O)OC(C(C1O)O)CO)'
p20420
sS'CPD-17274'
p20421
S'CCCCCCCCCCCCCCCCCC(=O)OC(COP(=O)([O-])[O-])CO'
p20422
sS'HYDROXY-METHYL-BUTENYL-DIP'
p20423
S'CC(CO)=CCOP(OP([O-])(=O)[O-])(=O)[O-]'
p20424
sS'CPD-17272'
p20425
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O'
p20426
sS'CPD-17273'
p20427
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p20428
sS'CPD-7928'
p20429
S'CCCCCCCCC=CCC=CCCCCCCCCCCCCCC'
p20430
sS'CPD-17271'
p20431
S'CCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)CO)=O'
p20432
sS'CPD-10052'
p20433
S'C=C(C1(CC(C(=CC1)C)O))C'
p20434
sS'CPD-10055'
p20435
S'C=C(C1(CC(C(CC1)(O)C)O))C'
p20436
sS'DFA-III'
p20437
S'C1(OC3(OC(CO)C(O)C(OC21(OC(CO)C(O)C(O)2))3))'
p20438
sS'CPD-10058'
p20439
S'C=C(C1(CCC(O)(C)C(=O)C1))C'
p20440
sS'CPD-7827'
p20441
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCC)=O'
p20442
sS'CPD-7826'
p20443
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCC)=O'
p20444
sS'CPD-7825'
p20445
S'CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC'
p20446
sS'CPD-7824'
p20447
S'CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p20448
sS'CPD-7823'
p20449
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O'
p20450
sS'CPD-7822'
p20451
S'CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p20452
sS'CPD-7821'
p20453
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O'
p20454
sS'CPD-7820'
p20455
S'CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p20456
sS'CPD-7829'
p20457
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p20458
sS'LEUCOPELARGONIDIN-CMPD'
p20459
S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)'
p20460
sS'CPD-12381'
p20461
S'C(O)C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p20462
sS'CPD-12383'
p20463
S'C1(C=CC(CC#N=O)=CC=1)'
p20464
sS'CPD-12385'
p20465
S'C(SC(CC1(C=CC=CC=1))=NO)C([N+])C(=O)NCC(=O)[O-]'
p20466
sS'CPD-12384'
p20467
S'C(SC(CC1(C=CC=CC=1))=NO)C(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC(=O)[O-]'
p20468
sS'CPD-12387'
p20469
S'C2(=C(C1(C=CC=CC=1N2))CC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO)'
p20470
sS'CPD-12386'
p20471
S'C(#N=O)CC1(=CNC2(C=CC=CC1=2))'
p20472
sS'CPD-12389'
p20473
S'CSCCCC#N=O'
p20474
sS'CPD-12388'
p20475
S'C2(=C(C1(C=CC=CC=1N2))CC(SCC([N+])C(=O)NCC([O-])=O)=NO)'
p20476
sS'CPD-10147'
p20477
S'C1([N+])(C(O)C(O)C(O)C([N+])C(O)1)'
p20478
sS'HSO4'
p20479
S'O=S(O)(=O)[O-]'
p20480
sS'4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON'
p20481
S'CC(C)CCC[CH](C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(=O)CCC(C)1[CH]2CCC(C)34))))'
p20482
sS'ACETAMIDE'
p20483
S'CC(=O)N'
p20484
sS'5-CHLOROFORMYCIN'
p20485
S'C(O)C1(OC(C(O)C(O)1)C3(=NNC2(=C(N)N=C(Cl)N=C23)))'
p20486
sS'CPD-9872'
p20487
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C)C'
p20488
sS'CPD-15836'
p20489
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=C(C(=C(C=2C)C)O)C)))C)C)C'
p20490
sS'CPD-9870'
p20491
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C)C)C)C)C'
p20492
sS'CPD-9871'
p20493
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C)C)C)C)C'
p20494
sS'GLYCINAMIDE'
p20495
S'C(C(=O)N)[N+]'
p20496
sS'CPD-9875'
p20497
S'CC(OCC=CC1(=CC(=C(C=C1)O)OC))=O'
p20498
sS'CHLOROHYDROQUINONE'
p20499
S'C1(C(O)=CC(=C(C=1)O)Cl)'
p20500
sS'CPD-9620'
p20501
S'COC2(=C(C1(C(=O)C3(C(O)=CC=C(C(C(=O)C=1C=C(O)2)=3)O)))O)'
p20502
sS'CPD-17498'
p20503
S'CC1(C=CC=CCCC=CC=CC=CC=CC(C[CH]2(C(C([O-])=O)C(CC(CC(C(CCC(CC(CC(CC(=O)OC(C)C(C)C1O)O)O)O)O)O)(O)O2)O))O)'
p20504
sS'CPD-17499'
p20505
S'CC1(C=CC=CCCC=CC=CC=CC=CC(C[CH]2(C(C)C(CC(CC(C(CCC(CC(CC(CC(=O)OC(C)C(C)C1O)O)O)O)O)O)(O)O2)O))O)'
p20506
sS'CPD-17492'
p20507
S'CC(C)CC(C([O-])=O)O'
p20508
sS'CPD-17493'
p20509
S'CC(C)CCC([O-])=O'
p20510
sS'CPD-17490'
p20511
S'CCCCCCCCCC(=O)C([N+])CC'
p20512
sS'CPD-17491'
p20513
S'CC(C=CC=C(C=CC1(C(CC(C(C=1C)=O)OC2(C(C(C(C(O2)C)O)O)O))(C)C))C)=CC=CC=C(C)C=CC=C(C)C=CC3(=C(C(C(CC3(C)C)OC4(C(C(C(C(O4)C)O)O)O))=O)C)'
p20514
sS'CPD-17496'
p20515
S'CC2(C(C(C(C(OC1(C=CC(=CC=1)[N+]([O-])=O))O2)O)O)O)'
p20516
sS'CPD-17494'
p20517
S'CC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p20518
sS'CPD-13389'
p20519
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C([N+]C)CC3)))'
p20520
sS'CPD-13137'
p20521
S'CC1(=C(N=C(C(CC(=O)N)NCC([N+])C(=O)N)N=C1C(=O)NC(C(C2(N=CNC=2))OC4(OC(CO)C(O)C(O)C(OC3(OC(CO)C(O)C(OC(N)=O)C(O)3))4))C(=O)NC(C)C(O)C(C)C(=O)NC(C(O)C)C(=O)NCCC6(SC=C(C5(SC=C(C(=O)NCCCCNC(=[N+])N)N=5))N=6))N)'
p20522
sS'BARBITAL'
p20523
S'CCC1(C(=O)NC([N-]C1=O)=O)CC'
p20524
sS'CPD-13382'
p20525
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)CC3)))'
p20526
sS'CPD-13383'
p20527
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C([N+])CC3)))'
p20528
sS'CPD-13380'
p20529
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C([O-])=C3)))'
p20530
sS'CPD-13136'
p20531
S'CC1(=C(N=C(C(CC(=O)N)NCC([N+])C(=O)N)N=C1C(=O)NC(C(C2(N=CNC=2))OC4(OC(CO)C(O)C(O)C(OC3(OC(CO)C(O)C(OC(N)=O)C(O)3))4))C(=O)NC(C)C(O)C(C)C(=O)NC(C(O)C)C(=O)NCCC6(SC=C(C5(SC=C(C(=O)NCCC[S+](C)C)N=5))N=6))N)'
p20532
sS'CPD-13386'
p20533
S'CCC5(OC(=O)C[CH]4(C(=C[CH]3([CH]2(CC(OC1(C(OC)C(OC)C(OC)C(C)O1))C[CH]2C(C)=C[CH]34)))C(=O)C(C)C(CCC5)OC6(CCC([N+](C)C)C(C)O6)))'
p20534
sS'CPD-13384'
p20535
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C([N+](C)C)CC3)))'
p20536
sS'CPD-13385'
p20537
S'CCC4(OC(=O)C[CH]3([CH]2(C=C[CH]6(CC(OC1(C(OC)C(OC)C(OC)C(C)O1))C[CH]([CH]2C=C3C(=O)C(C)C(CCC4)OC5(OC(C)C(CC5)[N+](C)C))6))))'
p20538
sS'CPD-14602'
p20539
S'CC(CCC(OC1(C(O)C(C(O)C(C([O-])=O)O1)O))=O)=CCC2(=C(C(C)=C3(COC(=O)C(=C(O)2)3))OC)'
p20540
sS'CPD-18584'
p20541
S'CCCCCCCCC=CCCCCCCCCC(C)CC(C)C=C(C)C([O-])=O'
p20542
sS'CPD-18587'
p20543
S'CC(=O)NC(C(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O)CC[PH](=O)[O-]'
p20544
sS'CPD-18586'
p20545
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20546
sS'CPD-11894'
p20547
S'CC1(C(O)(C(O)=O)CC(O1)N6(C5(C3(NC2(C=CC=CC=2C=3C4(=C(C(=O)NC4)C=5C7(=C6C=CC=C7)))))))'
p20548
sS'CPD-11895'
p20549
S'CC1(C([CH]=O)(O)C(O)C(O)O1)'
p20550
sS'CPD-18583'
p20551
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C([O-])=O'
p20552
sS'CPD-14605'
p20553
S'C(N1(CCOCC1))CO'
p20554
sS'CPD-11898'
p20555
S'CC1(C(C)(O)C(O)CO1)'
p20556
sS'CPD-11899'
p20557
S'CC1(C(CO)(O)C(O)C(O)O1)'
p20558
sS'CPD-14608'
p20559
S'CC(=O)NC1(C(NC(=O)C)C(O)OC(C(=O)[O-])C(O)1)'
p20560
sS'CPD-14609'
p20561
S'C1([N+]2(C(C(O)C1)C(O)C(O)C(O)C2))'
p20562
sS'CPD-18589'
p20563
S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CC[PH](=O)[O-])NC(C)=O'
p20564
sS'CPD-18588'
p20565
S'CC([N+])C(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p20566
sS'CPD-13030'
p20567
S'C([O-])(=O)C(N(O)O)CC1(C=CC=CC=1)'
p20568
sS'CPD-13031'
p20569
S'C(=NO)CC1(C=CC=CC=1)'
p20570
sS'CPD-13032'
p20571
S'C=C1(CCC(O)CC1=CC=C2(CCCC3(C)([CH](C(CCC(O)C(O)(C)C)C)CC[CH]23)))'
p20572
sS'CPD-13034'
p20573
S'C(C=CC1(=CC=CC(C(O)1)O))(=O)[O-]'
p20574
sS'CPD-13035'
p20575
S'C(OP(=O)([O-])OP(=O)([O-])OCC3(OC1(NC4(N=C(N)NC(=O)C(NC1C2(=C(S[Mo](=O)(=O)S2)3))=4))))C5(OC(C(O)C(O)5)N7(C=NC6(C(N)=NC=NC=67)))'
p20576
sS'CPD-13036'
p20577
S'C(O)C(O)C(O)C(=O)C(O)CO'
p20578
sS'CPD-13037'
p20579
S'C2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)OC1))O2)'
p20580
sS'RIBULOSE-5P'
p20581
S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p20582
sS'CPD-15642'
p20583
S'CC3(C(=O)C(C(C(OP(OP(OCC1(C(C(C(O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)'
p20584
sS'CPD-18729'
p20585
S'CNC(=O)N(C)C1(NC(=O)N(C)C(=O)1)'
p20586
sS'CPD-18728'
p20587
S'CC3(C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC1(C)(OC5(=C(C(=O)1)C4(C(=O)C(=CN(O)N2(CC[N+](C)CC2))C(NC(=O)C(C)=CC=C3)=C(O)C=4C([O-])=C(C)5))))'
p20588
sS'N-ACETYL-D-GLUCOSAMINE'
p20589
S'CC(=O)NC1(C(O)OC(CO)C(O)C(O)1)'
p20590
sS'CPD-18058'
p20591
S'CC=C(C)C=C(C)C=C(C=CC=C(C(C1(=CC(CCO)NC(=O)1))=O)C)C'
p20592
sS'CPD-18053'
p20593
S'CC[N+]C3(CC([N+])C(OC1(OC(C[N+])=CCC([N+])1))C(O)C(OC2(C(OP([O-])(=O)[O-])C([N+]C)C(C)(O)CO2))3)'
p20594
sS'CPD-18052'
p20595
S'CC3(O)(C([N+]C)C(OP([O-])(=O)[O-])C(OC2(C([N+])CC([N+])C(OC1(OC(C[N+])=CCC([N+])1))C(O)2))OC3)'
p20596
sS'CPD-18051'
p20597
S'C([N+])CC(O)C(=O)NC2(C(C(C(OC1(C(O)C(O)C(O)C(C[N+])O1))C([N+])C2)O)OC3(OC(CO)C(O)C([N+])C(OP(=O)([O-])[O-])3))'
p20598
sS'CPD-18050'
p20599
S'C([N+])CC(O)C(=O)NC2(C(C(C(OC1(OC(CCC1[N+])C[N+]))C([N+])C2)O)OC3(OC(C(C(C(OP([O-])(=O)[O-])3)[N+])O)CO))'
p20600
sS'CPD-18057'
p20601
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C1(=CC(CCO)NC(=O)1))C)C'
p20602
sS'CPD-18056'
p20603
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(O)(CCO)NC(=O)1)2))C)C'
p20604
sS'CPD-18727'
p20605
S'CC3(C(O)C(C)C(O)C(C)C(OC(=O)C)C(C)C(OC)C=COC1(C)(OC5(=C(C(=O)1)C4(=C(O)C(C=NN2(CC[N+](C)CC2))=C(NC(=O)C(C)=CC=C3)C(O)=C4C([O-])=C(C)5))))'
p20606
sS'CPD-18054'
p20607
S'CC=C(C(=O)OC)C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(O)(CCO)NC(=O)1)2))C)C'
p20608
sS'PUTRESCINE'
p20609
S'C([N+])CCC[N+]'
p20610
sS'CPD-17809'
p20611
S'CCCCC=CCCCCCCCCO'
p20612
sS'BENZOYL-ACETATE'
p20613
S'C([O-])(=O)CC(=O)C1(C=CC=CC=1)'
p20614
sS'CPD-17804'
p20615
S'CCC=CC=CCCCCCCCCOC(C)=O'
p20616
sS'CPD-17801'
p20617
S'CC3(C1(OC2(C=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C3)'
p20618
sS'STRICTOSIDINE'
p20619
S'C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))'
p20620
sS'CPD-17803'
p20621
S'CC=CC=CCCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20622
sS'CPD-17802'
p20623
S'CCC=CC=CCCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p20624
sS'CPD-3021'
p20625
S'C2(=C(C=CC(=O)C1(=C(O)C=C(O)C=C(O)1))C=C(O)C(O)=C2)'
p20626
sS'4-MALEYL-ACETOACETATE'
p20627
S'C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O'
p20628
sS'35-DIMETHYLBENZYL-ALCOHOL'
p20629
S'CC1(C=C(CO)C=C(C)C=1)'
p20630
sS'SCOPOLETIN'
p20631
S'COC2(C=C1(C(OC(=O)C=C1)=CC=2O))'
p20632
sS'N-ACETYL-BETA-GLUCOSAMINYLAMINE'
p20633
S'CC(=O)NC1(C(N)OC(CO)C(O)C(O)1)'
p20634
sS'PTEROATE'
p20635
S'C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3))'
p20636
sS'CPD-10120'
p20637
S'C(C3(C(CC(N2(C1(=C(C(=NC(N)=N1)N)N=C2)))O3)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O'
p20638
sS'CPD-14308'
p20639
S'CC1(C(=O)CC(CC([O-])=O)C(C)(C)1)'
p20640
sS'CPD-18358'
p20641
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCC=CCCCCCC'
p20642
sS'E-PHENYLITACONYL-COA'
p20643
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p20644
sS'CPD0-903'
p20645
S'CCN1(C(CCC1=O)=O)'
p20646
sS'574-TRIHYDROXY-3-METHOXYFLAVONE'
p20647
S'COC1(=CC(=CC=C(O)1)C2(=CC(=O)C3(C(O)=CC([O-])=CC(O2)=3)))'
p20648
sS'4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE'
p20649
S'[CH](=O)C(C(CC(C([O-])=O)=O)O)O'
p20650
sS'L-5-3-indolylmethylene-hydantoin'
p20651
S'C3(=O)(NC(=O)C(=CC2(C1(=C(C=CC=C1)NC=2)))N3)'
p20652
sS'GDP-D-GLUCOSE'
p20653
S'C(O)C1(C(O)C(O)C(O)C(O1)OP([O-])(=O)OP([O-])(=O)OCC2(C(O)C(O)C(O2)N3(C=NC4(=C3N=C(N)NC(=O)4))))'
p20654
sS'DIAMINONONANOATE'
p20655
S'CC(C(CCCCCC([O-])=O)[N+])[N+]'
p20656
sS'CPD0-2287'
p20657
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C([O-])=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)O[R1])'
p20658
sS'CPD-12819'
p20659
S'CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+])([O-])=O'
p20660
sS'CPD-12818'
p20661
S'CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(OCC[N+])([O-])=O'
p20662
sS'CPD-15269'
p20663
S'C4(C(C2(=[O+]C1(C=C(C=C(C=1C=C2)OC3(C(C(C(O)C(O3)CO)O)O))[O-])))=CC(O)=C(C=4)O)'
p20664
sS'CPD-15268'
p20665
S'CC(C)=CC1(N4(C(O)(C(O)C3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p20666
sS'CPD-15263'
p20667
S'CC(C)=CCC2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p20668
sS'CPD-15262'
p20669
S'CC(C)=CCC2(=C(C1(=CC=C(OC)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p20670
sS'CPD-15261'
p20671
S'CC(C)=CCOC4(C2(C1(C=CC(=CC=1N3(C(C=C(C)C)OOC(C)(C)C[CH](C=23)N5(C([CH]6(CCCN(C(=O)C45O)6))=O)))OC)))'
p20672
sS'CPD-15260'
p20673
S'CC(C)=CCN5(C1(C=C(C=CC=1C2(=C(C(C=C(C)C)N3(C([CH]4(CCCN(C(=O)C(C2O)3O)4))=O))5))OC))'
p20674
sS'CPD-12815'
p20675
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCCCCCCCCC'
p20676
sS'CPD-12546'
p20677
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(N=[N+]=[N-])C(COP([O-])(=O)[O-])O2))'
p20678
sS'CPD-12545'
p20679
S'C(O)C1(C(O)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(O)O1)'
p20680
sS'CPD-15264'
p20681
S'CC(C)=CCC2(=C(C1(=CC=C(O)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p20682
sS'SULOCHRIN'
p20683
S'CC2(=CC(=C(C(=O)C1(C(C(OC)=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p20684
sS'1-ETHYLADENINE'
p20685
S'CCN1(C2(N=CN=C(N)C(N=C1)=2))'
p20686
sS'CPD-9417'
p20687
S'C2(N(C(C1(C=CC(O)=CC=1))C([O-])=O)C(=O)C2NC(=O)C(=NO)C3(C=CC(O)=CC=3))'
p20688
sS'CPD0-2281'
p20689
S'C#CCNCC([O-])=O'
p20690
sS'CPD-17965'
p20691
S'C(CCC(=O)[O-])CCC([N+])C([O-])=O'
p20692
sS'CPD-4'
p20693
S'C(OP([O-])(=O)[O-])C1(C([S-])=C(S)[CH]2([CH](O1)NC3(=C(N2)C(=O)NC(N)=N3)))'
p20694
sS'CPD-0'
p20695
S'CC1(OC2(C=C(O)C=C(O)C(C(=O)C=1)=2))'
p20696
sS'CPD-3'
p20697
S'[Mo](=O)(=O)([O-])[O-]'
p20698
sS'CPD-2'
p20699
S'[Cs+]'
p20700
sS'2-HYDROXYPYRIDINE'
p20701
S'C1(=CC=NC(=C1)O)'
p20702
sS'CPD-9'
p20703
S'CC([CH]1(C(C)NC2(=C(N(C)1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C([O-])=O)=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p20704
sS'CPD-8'
p20705
S'CC([CH]1(C(C)NC2(=C(N1)C(NC(=N2)N)=O)))NC4(=CC=C(CC(C(C(COC3(C(C(C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C([O-])=O)=O)CCC([O-])=O)O3)O)O))O)O)O)C=C4)'
p20706
sS'CPD-19090'
p20707
S'CCC(O)(C)C(=O)[O-]'
p20708
sS'CPD-19091'
p20709
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCC2(C(=O)C1(=CC=CC=C1C(=O)C(C)=2)))C'
p20710
sS'CPD-19092'
p20711
S'CCCCC(CC)COS([O-])(=O)=O'
p20712
sS'CPD-16517'
p20713
S'CC1(=CC=CC2(C1=CC(OC)=CC=2C(=O)OC(C(=O)NC(C(NC(=CO)C(=O)C)=O)=C3(N4(C[CH](C(O)C(OC(C)=O)3)4)))C5(C)(CO5)))'
p20714
sS'CPD-19094'
p20715
S'COC1(=C(O)C=CC(=C1)C3(=[O+]C4(=C(C=C(OC2(C(O)C(O)C(O)C(CO)O2))3)C([O-])=CC([O-])=C4)))'
p20716
sS'CPD-16511'
p20717
S'CC1(C=C(CC(C(=O)[O-])[N+])C=CC=1O)'
p20718
sS'CPD-16512'
p20719
S'CC1(=CC(CC(C(=O)[O-])[N+])=CC(O)=C1O)'
p20720
sS'ETHYLBENZENE'
p20721
S'CCC1(C=CC=CC=1)'
p20722
sS'CPD-19099'
p20723
S'C3(C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))=CC=C(C=3)O)'
p20724
sS'CPD-9277'
p20725
S'C(=O)([O-])C([N+])CS(=O)C'
p20726
sS'CPD-16518'
p20727
S'CC1(C2(=C(C=C(O)C=1)C(=C(O)C=C2)C(=O)[O-]))'
p20728
sS'CPD-16519'
p20729
S'CC1(C2(=C(C=C(OC)C=1)C(=C(O)C=C2)C(=O)[O-]))'
p20730
sS'CPD-9273'
p20731
S'C=CCSO'
p20732
sS'CPD-12607'
p20733
S'C(O)C([N+])C(=O)NCC([O-])=O'
p20734
sS'CPD-12600'
p20735
S'CCCCCC=CCC=CCC=CCC=CCCCC(OC(CO)CO)=O'
p20736
sS'CPD-12602'
p20737
S'C(NC(NP(=O)([O-])[O-])=N)CS(O)=O'
p20738
sS'CPD-12603'
p20739
S'C(NC(NP(=O)([O-])[O-])=N)CS(=O)([O-])=O'
p20740
sS'CPD-12608'
p20741
S'C(P([O-])(O)=O)CC([N+])C([O-])=O'
p20742
sS'CPD-12609'
p20743
S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=CC=C(C=3)O)'
p20744
sS'CPD-8313'
p20745
S'CCCCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCC=CCC=CCC=CCC)=O'
p20746
sS'CPD-2042'
p20747
S'C1(C=CC(=CC=1)C3(CC(C2(C(=CC=CC=2)O3))O))'
p20748
sS'CPD-2043'
p20749
S'C1(C=CC(=CC=1)C2(CC(=O)C3(=CC=CC=C(O2)3)))'
p20750
sS'CPD-7560'
p20751
S'CC2([CH]1(CCC(C)(OO)C=C1[CH](CC2)C(C([O-])=O)C))'
p20752
sS'CPD-2041'
p20753
S'CC(C)C([N+])CC([O-])=O'
p20754
sS'CPD-2046'
p20755
S'CCCCCC=CCC(C(C=CC(CC=CCCCC([O-])=O)O)O)O'
p20756
sS'PYRIDINE-RING'
p20757
S'C1(N=CC=CC=1)'
p20758
sS'CPD-7564'
p20759
S'CC5(C7(=CC3(=[N+]2([Ni--]46(N1(C(=C(C(=C1C=C2C(C3CCC([O-])=O)(CC(=O)N)C)CC(=O)[O-])CCC(=O)[O-])C=C8([N+]4=C(C=C(C(CCC(=O)[O-])5)N67)C(C(CCC(=O)[O-])8)CC([O-])=O)))))))CC(=O)N'
p20760
sS'CPD-663'
p20761
S'CC3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C(=O)3)'
p20762
sS'CPD1F-766'
p20763
S'C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))'
p20764
sS'CPD-8236'
p20765
S'CC2(C3(C1(C(CCCC1(CC=2)C)(C)C)C3))'
p20766
sS'3-HYDROXY-1H-QUINOLIN-4-ONE'
p20767
S'C1(C=CC2(NC=C([O-])C(=O)C(C=1)=2))'
p20768
sS'GLYCOL'
p20769
S'C(CO)O'
p20770
sS'CPD-8317'
p20771
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p20772
sS'TRICHLOROANISOLE'
p20773
S'COC1(C(Cl)=CC(Cl)=CC(Cl)=1)'
p20774
sS'CPD-18759'
p20775
S'CC(COC1(C(C(C(O)C(O1)CO)O)O))CCC2(O)(O[CH]%10([CH](C(C)2)C9(C)([CH]([CH]8([CH](C7(C)([CH](CC(OC6(OC(CO)C(OC5(OC(CO)C(O)C(OC3(OCC(O)C(O)C(O)3))C(OC4(OC(CO)C(O)C(O)C(O)4))5))C(O)C(O)6))CC7)CC8))CC9))C%10)))'
p20776
sS'CPD-9090'
p20777
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCC=C(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p20778
sS'CPD-9091'
p20779
S'CC=C5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p20780
sS'CPD-9095'
p20781
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C5(=N([Mg]36(N1(=C(C(CC([R2])[R1])=C(C)C1=CC=2N34)C=C7(C(C[R3])=C8(C(=O)[C-](C(=O)OC)C5=C(N67)8)))))9))))'
p20782
sS'CPD-9096'
p20783
S'CCC5(C4(=CC6(=C(C)C1(=C(C([C-](C(=O)OC)C(=O)1)=C2(C(CCC(OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)=O)C(C)C(=N2)C=C3(C(C)=C(C(C)=O)C(N3)=CC(=N4)C(C)5)))N6))))'
p20784
sS'CPD-9097'
p20785
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(CC)C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p20786
sS'CPD-9098'
p20787
S'CCC1(C(C3(N=C1C=C2(NC6(C(=C2C)C([C-](C(C5(=NC(=CC4(NC(C=3)=C(C=4C)C(=O)C))C(C5CCC(=O)OCC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C))=6)C(OC)=O)=O))))C)'
p20788
sS'CPD-9099'
p20789
S'CCC5(C4(=CC6(=C(C)C1(=C(C([C-](C(=O)OC)C(=O)1)=C2(C(CCC(OCC=C(C)CCCC(C)CCC=C(C)CCC=C(C)C)=O)C(C)C(=N2)C=C3(C(C)=C(C(C)=O)C(N3)=CC(=N4)C(C)5)))N6))))'
p20790
sS'CPD-8232'
p20791
S'C=CC1(C)(C(CC(CC1)C(C)=C)C(C)=C)'
p20792
sS'L-ARGININO-SUCCINATE'
p20793
S'C(NC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CCC(C(=O)[O-])[N+]'
p20794
sS'GLYCERALD'
p20795
S'[CH](=O)C(O)CO'
p20796
sS'CPD-8231'
p20797
S'CCCCC=CC=CC=CCCCCCCCC(=O)[O-]'
p20798
sS'CPD-18755'
p20799
S'COC4(C(=C(O)C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)OC)'
p20800
sS'ALPHABETA-DIDEHYDROTRYPTOPHAN'
p20801
S'C2(=C(C=C(N)C(=O)[O-])C1(C=CC=CC=1N2))'
p20802
sS'CPD-8230'
p20803
S'CC1(CC[CH]2(C(C[CH](C(CCC=1)=C)2)(C)C))'
p20804
sS'CPD-5922'
p20805
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p20806
sS'S-HYDROXYMETHYLGLUTATHIONE'
p20807
S'C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]'
p20808
sS'CPD-13638'
p20809
S'C=C1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p20810
sS'CPD-13639'
p20811
S'CC3(C(C)C4(C=C(C([O-])=O)C2(C(C1(OC1)OC(=O)C2)(C=3)4)))'
p20812
sS'CPD-9635'
p20813
S'CC(C)=CCCC1(C)(C2(C(=O)C(C)C)(C(=O)C(CC=C(C)C)=C([O-])C(CC(CC=C(C)C)1)(CC=C(C)C)C(=O)2))'
p20814
sS'CPD-13632'
p20815
S'C=C1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p20816
sS'CPD-13636'
p20817
S'CCCCCC=CCC1(OC(CCCCCCCC(=O)[O-])1)'
p20818
sS'CPD-4204'
p20819
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O)O))C=NC=23)))CO'
p20820
sS'L-GLUTAMATE_GAMMA-SEMIALDEHYDE'
p20821
S'C(CC([N+])C([O-])=O)[CH]=O'
p20822
sS'CPD-2751'
p20823
S'C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))'
p20824
sS'CPD-4205'
p20825
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP([O-])([O-])=O)O)O))C=NC=23)))C'
p20826
sS'CPD-9630'
p20827
S'COC2(C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C(=C(OC)C=2[O-])O)=3)))'
p20828
sS'CPD-4203'
p20829
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O)O))C=NC=23)))C'
p20830
sS'CPD-9320'
p20831
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))CO)C'
p20832
sS'PHENYLACETALDEHYDE'
p20833
S'[CH](=O)CC1(=CC=CC=C1)'
p20834
sS'CPD-12719'
p20835
S'C([N+])CCC([N+])CC(=O)NC2(C([N+]=C1(NC(C(C(=O)[O-])N1)C(O)C[N+]))OC(CO)C(OC(=O)N)C(O)2)'
p20836
sS'LICODIONE'
p20837
S'C1(C=C(O)C=CC=1C([O-])=CC(=O)C2(=CC=C(O)C=C(O)2))'
p20838
sS'CPD-17395'
p20839
S'C=CC(C)(C)C23(CC5(N(C(=[N+]([O-])C1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p20840
sS'CPD-17646'
p20841
S'CCCCCC(O)CCCCCC(O)CC1(OC(=O)C=C([O-])C=1)'
p20842
sS'CPD-17645'
p20843
S'CCCCCC(O)CCCCCC(=O)CC1(OC(=O)C=C([O-])C=1)'
p20844
sS'CPD-17644'
p20845
S'C(O)CCCCCCCC=CCCCCCCCCO'
p20846
sS'CPD-12486'
p20847
S'C(S(=O)CC([N+])C(=O)[O-])C1(=CC=CC=C1)'
p20848
sS'CPD-17642'
p20849
S'C(O)CCCCCCCCCCCCCCCO'
p20850
sS'CPD-17641'
p20851
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p20852
sS'CPD-17640'
p20853
S'C(O)CCCCCCCCCCCCCCCCC([O-])=O'
p20854
sS'CPD-17398'
p20855
S'CCC=CCCC(O)CC=CCCCCCCCCCC(=O)[O-]'
p20856
sS'CPD-13557'
p20857
S'C(O)C2(C(O)C(O)C(O)C(OC1(C(O)C(O)OC(CO)C(O)1))O2)'
p20858
sS'CPD-13556'
p20859
S'C(O)C3(C(O)C(O)C(O)C(OCC2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)OC(CO)1))O2))O3)'
p20860
sS'CPD-13555'
p20861
S'C([CH]=O)CCO'
p20862
sS'CPD-11623'
p20863
S'C1(NC(C(O)=O)CNC1)'
p20864
sS'CPD-13550'
p20865
S'CC(C=CC1(C(C)(C)CCCC=1C))=CC=CC(=CCO)C'
p20866
sS'CPD0-1578'
p20867
S'CC([N+])C(=O)N'
p20868
sS'CPD-5401'
p20869
S'C1(C=CC(=CC=1)S(=O)([O-])=O)[Hg]Cl'
p20870
sS'CPD-13559'
p20871
S'C(O)C1(C(O)C(O)C(O)C(O)O1)'
p20872
sS'CPD-12713'
p20873
S'CC(=O)CF'
p20874
sS'CPD-11775'
p20875
S'C=C[CH]5([CH]4(C(N3([CH]C2(NC1(C(=CC=CC=1)C=2CC3CC4=COC5OC6(OC(C(C(C6O)O)O)CO)))))=O))'
p20876
sS'CPD-11776'
p20877
S'CCC1(O)(C(=O)OCC2(=C1C=C3(N(C(=O)2)CC4(C3=NC5(=C(C=4)C=CC=C5)))))'
p20878
sS'CPD-11771'
p20879
S'C(=O)(O)C(N)CN1(C(=O)NC(=O)O1)'
p20880
sS'CPD-12710'
p20881
S'C(F)C(O)C([N+])C(=O)[O-]'
p20882
sS'CPD-9329'
p20883
S'CC(C=CCCCCC([O-])=O)C'
p20884
sS'CPD-11779'
p20885
S'C1(OC4(C=C(O)C=CC(C2(=C1C3(C(O2)=CC(O)=CC=3)))=4))(=O)'
p20886
sS'CPD-17029'
p20887
S'C(S(C1(=C(CC([N+])C(=O)[O-])NC=N1))=O)C(C([O-])=O)[N+]'
p20888
sS'CPD-17028'
p20889
S'CN1(C=NC(=C(CC(C(=O)[O-])[N+])1)S)'
p20890
sS'CPD-17023'
p20891
S'C2(C=C1(C(=O)N6(C(=NC1=CC=2)C4(N(C3(NC5(C(C(O)3C4)=CC=CC=5)))C(=O)C7(C6=CC=CC=7)))))'
p20892
sS'CPD-17022'
p20893
S'C12(=NC6(C(C(=O)N1C(C(=O)NC3(C2=CC=CC=3))CC4(C5(C(NC=4)=CC=CC=5)))=CC=CC=6))'
p20894
sS'CPD-17021'
p20895
S'C6(C=C1(C(NC=C1CC3(NC(=O)C5(=C(N2(C(=O)C4(C(N=C23)=CC=CC=4)))C=CC=C5)))=CC=6))'
p20896
sS'CPD-17026'
p20897
S'CCCCCCCCCCCC1(=CC=CN1)'
p20898
sS'CPD-17025'
p20899
S'CCCCCCCCCCCC1(=CC=C(N1)C=C3(C(OC)=CC(C2(NC=CC=2))=N3))'
p20900
sS'CPD-17024'
p20901
S'C1(C=C(C(=C(C=1)O)C(C2(=CC(=C(N2)Cl)Cl))=O)O)'
p20902
sS'CPD-8321'
p20903
S'CCCCCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))=O'
p20904
sS'CPD-8320'
p20905
S'CCCCCCCCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))=O'
p20906
sS'CPD-8323'
p20907
S'CCC=CCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))=O'
p20908
sS'CPD-8322'
p20909
S'CCC=CCC=CCC=CCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))=O'
p20910
sS'CPD-8325'
p20911
S'CCCCCCCCCCCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p20912
sS'CPD-8324'
p20913
S'CCCCCCCCCCCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p20914
sS'CPD-8327'
p20915
S'CCCCCCCCC=CCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p20916
sS'CPD-8326'
p20917
S'CCCCCCCCCCCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p20918
sS'CPD-8329'
p20919
S'CCCCCCCCC=CCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p20920
sS'CPD-8328'
p20921
S'CCCCCC=CCC=CCCCCCCCC(OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p20922
sS'CPD-7995'
p20923
S'CC(CC1([N+](CCC1)C))=O'
p20924
sS'CPD-6950'
p20925
S'CC4(=CCC5(C)(CCC2(C)(C(CCC1(C3(C)(CCC(C(C)(C)C(CCC(C)12)3)O)))C(C(C)4)5)))'
p20926
sS'CPD-5542'
p20927
S'C=CC1(C=CN=CC=1)'
p20928
sS'CPD-5541'
p20929
S'C(C1(C=CC=CC=1))S(=O)(F)=O'
p20930
sS'SKATOLE'
p20931
S'CC1(C2(C=CC=CC(NC=1)=2))'
p20932
sS'N-BROMOSUCCINIMIDE'
p20933
S'C1(C(N(C(C1)=O)Br)=O)'
p20934
sS'UDP-OHMYR-GLUCOSAMINE'
p20935
S'CCCCCCCCCCCC(CC(OC3(C(C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C3O)CO)[N+]))=O)O'
p20936
sS'3-4DHFLUORENE'
p20937
S'C1(C=C3(C(=CC=1)C2(C(=CC=C(C=2O)O)C3)))'
p20938
sS'BOROHYDRIDE'
p20939
S'[BH4-]'
p20940
sS'2-AMINO-ETCETERA-TRIPHOSPHATE'
p20941
S'C(C(O)C(O)C2(C(O)N(C1(=C(C(NC(=N1)N)=O)N2))O))OP(=O)([O-])OP([O-])(OP(=O)([O-])[O-])=O'
p20942
sS'LOGANATE'
p20943
S'CC1(C(O)C[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))'
p20944
sS'IMIDAZOLE_ACETALDEHYDE'
p20945
S'C1(NC=NC(CC=O)=1)'
p20946
sS'CPD-8729'
p20947
S'C=CC1(C)(CC2(=CCC3(C(C)(C(=O)[O-])CCCC(C)([CH](CC1)2)3)))'
p20948
sS'CPD0-1224'
p20949
S'C(Cl)C(=O)CC([N+])C(=O)[O-]'
p20950
sS'CPD0-1227'
p20951
S'C1(C=C(C(Cl)=CC(Cl)=1)OC2(C(O)=CC(Cl)=CC=2))'
p20952
sS'CPD0-1220'
p20953
S'CC(P(=O)(C)C)(O)C(=O)[O-]'
p20954
sS'CPD0-1221'
p20955
S'CC1(=C(COP([O-])([O-])=O)C=NC(C)=C(O)1)'
p20956
sS'CPD0-1222'
p20957
S'CC(=O)C1(=CC=C[N+](=C1)C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))'
p20958
sS'CPD0-1223'
p20959
S'C1(C(=CC=C[N+]=1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C([CH]=O)=O)'
p20960
sS'CPD-15894'
p20961
S'C(C1(OC(C(C1O)OP([O-])(=O)[O-])O))OP([O-])([O-])=O'
p20962
sS'CPD-15895'
p20963
S'[CH](=O)C(O)C(O)C(COP([O-])([O-])=O)O'
p20964
sS'CPD-15896'
p20965
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=CC1(=CC=CC=C1C=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p20966
sS'CPD-15897'
p20967
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(=CC=C1(CCCCC1=C2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p20968
sS'CPD-15890'
p20969
S'CC(C)OC1(C=C(C=CC=1)NC(=O)C2(=CC=CC=C(C(F)(F)F)2))'
p20970
sS'CPD0-1229'
p20971
S'[Al](F)(F)F'
p20972
sS'CPD-15892'
p20973
S'CCC(C)C=CC=C(C)CC(C)C=CC=CC1(C2(C)(OC(C(O)C(=O)O1)2))'
p20974
sS'CPD-15893'
p20975
S'CN2(C=CC(C1(C=CN(C)C=C1))C=C2)'
p20976
sS'CPD-10559'
p20977
S'C(N)S(=O)(=O)[O-]'
p20978
sS'CPD-9111'
p20979
S'C=CCCC'
p20980
sS'VITEXIN-2-O-B-L-RHAMNOSIDE'
p20981
S'CC1(OC(C(C(C(O)1)O)O)OC2(C(C(O)C(CO)OC2C5(C([O-])=CC(O)=C4(C(=O)C=C(C3(C=CC(O)=CC=3))OC4=5)))O))'
p20982
sS'UDP-D-GALACTURONATE'
p20983
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OC(C(=O)[O-])C(O)C(O)C(O)1))C2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3))'
p20984
sS'CPD-10553'
p20985
S'CC(CC(=O)[O-])C2(CCC3(C4(C(CC1(CC(CCC(C)1C(CC(C(C)23)O)4)O))O)))'
p20986
sS'CPD-10550'
p20987
S'C1(C=CC(=CC=1)C4(=CC(C3(C=CC2(=CC=CC=C2C=3O4)))=O))'
p20988
sS'CPD-10551'
p20989
S'CC(C(C(COP([O-])(=O)[O-])O)=O)=O'
p20990
sS'CPD-10556'
p20991
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]5(CC[CH]6([CH]7(C(O)C[CH]4(CC(O)CCC(C)4[CH](CCC(C)56)7))))'
p20992
sS'CPD-10557'
p20993
S'CC(CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C5(CC[CH]6([CH]7(CC[CH]4(CC(O)CCC(C)4[CH](CCC(C)56)7))))'
p20994
sS'CPD-7366'
p20995
S'CC1(=CC(=C(C=C1)O)N)'
p20996
sS'CPD-7367'
p20997
S'[CH](=O)C1(=CC=C(O)C(N)=C1)'
p20998
sS'PORPHOBILINOGEN'
p20999
S'C(C1(=C(C(=CN1)CCC(=O)[O-])CC(=O)[O-]))[N+]'
p21000
sS'CPD-4941'
p21001
S'C=C(C1(CCC(CC1=O)C))C'
p21002
sS'CPD-4943'
p21003
S'CC(C1(CCC(CC1=O)C))C'
p21004
sS'CPD-4942'
p21005
S'CC(=C1(CCC(CC1=O)C))C'
p21006
sS'CPD-4945'
p21007
S'CC(C1(CCC(CC1O)C))C'
p21008
sS'CPD-18264'
p21009
S'CC(C(SCCNC(=O)CCNC(C(O)C(C)(C)COP(=O)([O-])OCC(N[a'
p21010
sS'CPD-18913'
p21011
S'C(O)C3(C(O)C(O)C(OC2(OC(CO)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))C(O)O3)'
p21012
sS'CPD-18267'
p21013
S'C(NC(=[N+])N)CCCNC2(=[N+]C(C=CN(C1(C(O)C(O)C(CO)O1))2)=N)'
p21014
sS'CPD-18916'
p21015
S'C([N+](CC(=O)[O-])CC[N+](CC(=O)[O-])CC(=O)[O-])C[N+](CC([O-])=O)CC([O-])=O'
p21016
sS'CPD-18261'
p21017
S'CCC3(C(=O)CC(C(C)C(C(C)=CC1(CCC(O)C(OC)C1))OC(=O)C2(CCCCN2C(=O)C(C4(O)(C(C)CC([CH](C(CC(C)CC(C)=C3)OC)O4)OC))=O))O)'
p21018
sS'CPD-18262'
p21019
S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)CO)O)O))C)C'
p21020
sS'CPD-18915'
p21021
S'C(C[N+]CC([O-])=O)[N+]CC([O-])=O'
p21022
sS'CPD-14859'
p21023
S'COC2(=C(OC1(C(C(C(O)C(O1)CO)O)O))C(=CC=C(OC)2)C3(OC4(C(C(=O)C=3OC)=C(O)C=C(OC)C=4)))'
p21024
sS'CPD-4578'
p21025
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))'
p21026
sS'CPD-18918'
p21027
S'CC5(OC(OC4(C(C(C(OC(OC3(C(C(OC(OC2(C(C(OC(OC1(C(C(OC(C1NC(=O)C)O)CO)O))C2O)CO)O))C3NC(=O)C)CO)O))4)CO)O)O))C(CC5O)O)'
p21028
sS'CPD-18919'
p21029
S'CC(NC1(C(C(C(OC1O)CO)O)OC2(OC(C(C(C2O)OC3(OC(C(C(C3NC(=O)C)OC4(OC(C(C(C4O)O)O)CO))O)CO))O)CO)))=O'
p21030
sS'CPD-18268'
p21031
S'CCCCCCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)([O-])[O-])OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC(OC(=O)CC(OC)C)C)=O)CCCCCCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))'
p21032
sS'CPD-18269'
p21033
S'CCCCCCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)([O-])[O-])OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC(O)C)=O)CCCCCCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)CO)OP([O-])([O-])=O))'
p21034
sS'CPD-9859'
p21035
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C'
p21036
sS'CPD-15094'
p21037
S'C(O)C2(C(O)C(O)C(OC1(C(O)OC(CO)C(O)1))O2)'
p21038
sS'CPD-15095'
p21039
S'C1([N+]C(C(=O)[O-])CC1OC2(OC(CO)C(O)C(O)2))'
p21040
sS'CPD-15096'
p21041
S'C1([N+]C(C(=O)[O-])CC1OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)2))3))'
p21042
sS'CPD-15097'
p21043
S'C1([N+]C(C(=O)[O-])CC1OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)2))3))4))'
p21044
sS'CPD-15091'
p21045
S'C1(=CC=C(C=C1)C(=O)CC(=O)C3(=C(O)C=C(O)C(C2(C(C(C(O)C(O2)CO)O)O))=C(O)3))'
p21046
sS'CPD-15092'
p21047
S'C1(OC(C(C(C1O)O)O)OC2(C=CC([N+](=O)[O-])=CC=2))'
p21048
sS'CPD-16483'
p21049
S'CC(=O)NC3(C(CC(C([O-])=O)(OCC1(C(O)C(O)C(O)C(O1)OC2(C(CO)OC(C(NC(C)=O)C(O)2)O[R])))O[CH]3C(O)C(O)CO)O)'
p21050
sS'2-BETA-D-GLUCOSYL-SN-GLYCEROL'
p21051
S'C(C(OC1(OC(C(O)C(C1O)O)CO))CO)O'
p21052
sS'2-HYDROXY-ESTRADIOL'
p21053
S'CC24(C(CCC(C3(CCC1(C=C(C(O)=CC=1C(CC2)3)O)))4)O)'
p21054
sS'CPD-15098'
p21055
S'COC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)1))2)'
p21056
sS'CPD-15099'
p21057
S'C1(=CN(C(=O)N=C(N)1)C2(C(O)C(O)C(CO)O2))'
p21058
sS'PSEUDOCUMENE'
p21059
S'CC1(=CC=C(C)C(C)=C1)'
p21060
sS'CPD-14858'
p21061
S'COC4(=CC(O)=C3(C(=O)C(=C(C2(C(OC1(C(C(C(O)C(O1)CO)O)O))=C(O)C(OC)=CC=2))OC3=C4)OC))'
p21062
sS'CPD-7028'
p21063
S'COC1(C=C2(OC(CC(C(=C(C=1)O)2)=O)C3(C=CC=CC=3)))'
p21064
sS'CPD-7027'
p21065
S'COC3(C(=O)C=C2(C(=C(O)C(C1(C=CC(O)=CC=1))=CO2)C=3))'
p21066
sS'CPD-7026'
p21067
S'COC1(=CC=C(C=C1)C2(=COC3(C=C(O)C(OC)=CC(C(=O)2)=3)))'
p21068
sS'CPD-7025'
p21069
S'CC(CCCC(CCCC(C)CCCC(C)=CCOP([O-])(=O)[O-])C)C'
p21070
sS'CPD-7024'
p21071
S'C1(=CC=C(O)C(=O)C=C1)'
p21072
sS'CPD-7023'
p21073
S'CC(C1(C=NC=CC=1))(C(=O)C2(C=NC=CC=2))C'
p21074
sS'CPD-7022'
p21075
S'C(C(O)CC1(C=C(C(=CC=1)O)O))(=O)[O-]'
p21076
sS'CPD-7021'
p21077
S'C(C(CC1(C=CC=CC=1))ON)(=O)[O-]'
p21078
sS'ALPHA-6-O-BETA-D-XYLOPYRANOSYL-BETA-D-'
p21079
S'C(OC1(OCC(O)C(O)C(O)1))C2(OC(O[R])C(O)C(O)C(O)2)'
p21080
sS'CPD-9857'
p21081
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C'
p21082
sS'CPD-4570'
p21083
S'COC1(=CC(=C(C=C1)C2(C(C3(=C(C=C(C=C(OC2)3)OC4(C(C(C(C(O4)CO)O)O)O))O))=O))OC)'
p21084
sS'CPD-9851'
p21085
S'C=C[CH]1(CN2(CCC3(C4(C=CC=CC(NC([CH](C[CH]1C[CH]=O)2)=3)=4))))'
p21086
sS'CPD0-2041'
p21087
S'N(P(=O)([O-])O)P(=O)([O-])[O-]'
p21088
sS'CPD0-2040'
p21089
S'[As](O)(O)O'
p21090
sS'3-OCTAPRENYL-4-HYDROXYBENZOATE'
p21091
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C)C)C'
p21092
sS'CPD-9853'
p21093
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C'
p21094
sS'ALL-TRANS-PENTAPRENYL-DIPHOSPHATE'
p21095
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p21096
sS'CPD-7794'
p21097
S'CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p21098
sS'GDP-MANNOSE'
p21099
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OC(C(O)C(O)C(O)1)CO))C2(C(O)C(O)C(O2)N4(C=NC3(C(=O)NC(N)=NC=34)))'
p21100
sS'CPD-7796'
p21101
S'CCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCC)=O'
p21102
sS'CPD-7791'
p21103
S'CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC'
p21104
sS'CPD-7790'
p21105
S'C([N+])CCCCC(N)=O'
p21106
sS'CPD-7793'
p21107
S'CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC'
p21108
sS'CPD-7792'
p21109
S'CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p21110
sS'CPD-7799'
p21111
S'CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC'
p21112
sS'CPD-7798'
p21113
S'CCCCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCC)=O'
p21114
sS'10-HYDROXYDECANOATE'
p21115
S'C(O)CCCCCCCCC([O-])=O'
p21116
sS'2-ARYLPROPIONATE'
p21117
S'CC([R])C(=O)[O-]'
p21118
sS'CPD0-1302'
p21119
S'C(O)C2(C(O)C(O)C(O)C(SC1(C=CC=CC=1))O2)'
p21120
sS'CPD-14419'
p21121
S'CCC=CCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21122
sS'2-HYDROXY-2-METHYLPROPANENITRILE'
p21123
S'CC(O)(C)C#N'
p21124
sS'CPD-14417'
p21125
S'C(NC(=[N+])N)CCC(C([O-])=O)NC(CC(C(NC(CC(=O)NC(C([O-])=O)CCCNC(=[N+])N)C(NC(CC(=O)NC(C([O-])=O)CCCNC(=[N+])N)C(NC(CC([O-])=O)C([O-])=O)=O)=O)=O)[N+])=O'
p21126
sS'CPD-14416'
p21127
S'C(NC(=[N+])N)CCC(C([O-])=O)NC(CC(C(NC(CC(=O)NC(C([O-])=O)CCCNC(=[N+])N)C(NC(CC(=O)NC(C([O-])=O)CCCNC(=[N+])N)C([O-])=O)=O)=O)[N+])=O'
p21128
sS'CPD-14415'
p21129
S'C(NC(=[N+])N)CCC(C([O-])=O)NC(CC(C([O-])=O)[N+])=O'
p21130
sS'2-HYDROXY-CHOLESTEROL'
p21131
S'CC(C)CCCC(O)(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21132
sS'CPD-11172'
p21133
S'C=CC=C(N)C([O-])=O'
p21134
sS'CPD0-2265'
p21135
S'CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC3(C(OC(COC1(CC(C(C(O1)C(CO)O)O)OC2(CC(C(C(O2)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(OP(=O)([O-])[O-])C(OC(=O)CC(O)CCCCCCCCCCC)3)OCC4(C(C(C(C(OP([O-])(=O)[O-])O4)NC(CC(CCCCCCCCCCC)O)=O)OC(CC(CCCCCCCCCCC)O)=O)O))'
p21136
sS'CPD0-2264'
p21137
S'CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC%14(C(OP(=O)([O-])[O-])OC(COC%13(C(C(C(C(COC%12(C(=O)[O-])(OC(C(OC8(C(O)C(OC7(C(O)C(OC2(C(O)C(C(O)C(COC1(OC(CO)C(O)C(O)C(O)1))O2)OC5(OC(CO)C(O)C(O)C(OC4(C(O)C(O)C(O)C(COC3(C(O)C(O)C(O)C(C(O)CO)O3))O4))5)))C(OP([O-])(=O)[O-])C(C(O)COC6(C(O)C(O)C(O)C(C(O)CO)O6))O7))C(OP([O-])(=O)[O-])C(C(O)CO)O8))C(OC%10(C(=O)[O-])(CC(C(OC9(OC(C(O)C(O)C(O)9)C))C(C(O)CO)O%10)OC%11(C(=O)[O-])(CC(C(O)C(C(O)CO)O%11)O)))C%12)C(O)CO))O%13)OP([O-])([O-])=O)OC(CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))C(O)C(OC(=O)CC(O)CCCCCCCCCCC)%14)'
p21138
sS'CPD0-2267'
p21139
S'CCC([N+])(C(=O)[O-])CCC(=O)[O-]'
p21140
sS'CPD0-2266'
p21141
S'CC2(C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(NC(=O)C(C)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)C(CCC(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC7(C(NC(=O)C)C(OC1(C(CO)OC(C(NC(=O)C)C(O)1)OC3(C(CO)OC=C(NC(=O)C)C(OC(C)C(=O)N2)3)))OC(CO)C(OC6(OC(C(OC5(OC(CO)C(OC4(OC(C(O)C(O)C(NC(=O)C)4)CO))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC([N+])C(=O)[O-])C(=O)NC(C)C([O-])=O)C(NC(=O)C)5))C(O)C(NC(=O)C)6)CO))7))C(=O)[O-])C(=O)NC(C)C([O-])=O)'
p21142
sS'CPD0-2261'
p21143
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%12(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%11(C(=O)[O-])(OC(C(OC7(C(O)C(OC6(C(O)C(OC3(C(O)C(C(O)C(COC2(C(O)C(C(O)C(CO)O2)O))O3)OC4(OC(CO)C(O)C(O)C(O)4)))C(OP([O-])(=O)[O-])C(C(O)COC5(C(O)C(O)C(O)C(C(O)CO)O5))O6))C(OP([O-])(=O)[O-])C(C(O)CO)O7))C(OC9(C(=O)[O-])(CC(C(OC8(OC(C(O)C(O)C(O)8)C))C(C(O)CO)O9)OC%10(C(=O)[O-])(CC(C(O)C(C(O)CO)O%10)O)))C%11)C(O)CO))C%12OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p21144
sS'LEU'
p21145
S'CC(CC([N+])C([O-])=O)C'
p21146
sS'CPD0-2262'
p21147
S'CC(CCO)=CC(=O)N(O)CCCC1(C(=O)NC(CCCN(C(C=C(CCOC(CC(CCN(C(=O)C=C(C)CCO)O)NC(C)=O)=O)C)=O)O)C(=O)N1)'
p21148
sS'CPD0-2269'
p21149
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(O[R1])C(NC(=O)C)4)'
p21150
sS'CPD0-2268'
p21151
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC9(C(NC(=O)C)C(OC8(C(OC(=O)C)C(OC7(OC(COC6(C(OC5(C(NC(=O)C)C(OC3(C(OC(=O)C)C(OC2(C(O)C(O)C(O)C(COC1(OC(C(CO)O)C(O)C(O)1))O2))C(O)C(C)O3))C(O)C(COC4(OC(CO)C(O)C(O)C(O)4))O5))C(O)C(C(O)CO)O6))C(O)C(O)C(O)7))C(O)C(C)O8))C(O)C(O9)COC%10(OC(CO)C(O)C(O)C(O)%10)))C)C)C)C)C)C)C'
p21152
sS'TRANS-CIS-UNDECAPRENYL-GROUP'
p21153
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C'
p21154
sS'KYNURENATE'
p21155
S'C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))'
p21156
sS'ITACONATE'
p21157
S'C=C(C(=O)[O-])CC([O-])=O'
p21158
sS'CPD-13827'
p21159
S'CC2(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(O)C(C)C(O)2)'
p21160
sS'CPD-13826'
p21161
S'CC3(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(OC2(CC(O)C(O)C(C)O2))C(C)C(O)3)'
p21162
sS'CPD-13825'
p21163
S'CC3(CC1(CO1)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(OC2(CC(OC)C(O)C(C)O2))C(C)C(O)3)'
p21164
sS'CPD-13824'
p21165
S'CCC1(C(O)(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)COC3(C(C(C(C(C)O3)O)OC)OC))'
p21166
sS'CPD-13823'
p21167
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)COC3(C(C(C(C(C)O3)O)O)O))'
p21168
sS'CPD-13822'
p21169
S'CCC1(C(O)(C3(OC(C=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)3))COC4(C(C(C(C(C)O4)O)OC)OC))'
p21170
sS'CPD-13821'
p21171
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)COC3(C(C(C(C(C)O3)O)OC)OC))'
p21172
sS'CPD-13820'
p21173
S'CCC1(C(C=CC=CC(C(C)CC(C)C(C(C=CC(=O)O1)C)OC2(C(C(CC(C)O2)[N+](C)C)O))=O)COC3(C(C(C(C(C)O3)O)O)OC))'
p21174
sS'D-MYO-INOSITOL-13-BISPHOSPHATE'
p21175
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(O)1)'
p21176
sS'4-METHYLRESORCINOL'
p21177
S'CC1(=CC=C(O)C=C(O)1)'
p21178
sS'2-PHOSPHOASCORBATE'
p21179
S'C(O)C(O)[CH]1(OC(=O)C(OP([O-])(=O)[O-])=C([O-])1)'
p21180
sS'DIHYDRONEOPTERIN-P3'
p21181
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=2))'
p21182
sS'CPD-8918'
p21183
S'CC=C(C(OC4(CC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]3CC4))))=O)C'
p21184
sS'CPD-8919'
p21185
S'C4(CCCC3(C1(CC(C2(CCCCN(C1=O)2))C[N+]34)))'
p21186
sS'CPD-8917'
p21187
S'C4(CCCC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p21188
sS'CPD-8914'
p21189
S'C[N+]CC1(C2(C(NC=1)=CC=CC=2))'
p21190
sS'CPD-8915'
p21191
S'C[N+](CC1(C2(C(NC=1)=CC=CC=2)))C'
p21192
sS'CPD-8912'
p21193
S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p21194
sS'CPD-8913'
p21195
S'C1(NC2(C(C(C[N+])=1)=CC=CC=2))'
p21196
sS'CPD-8910'
p21197
S'COC1(C=C(C=CC=1O)CC(C(CC2(C=CC(=C(C=2)OC)O))CO)CO)'
p21198
sS'CPD-8911'
p21199
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)O))'
p21200
sS'2-AMINO-47-DIHYDROXYPTERIDINE'
p21201
S'C12(N=C(C=NC=1C(=NC(=N2)N)O)O)'
p21202
sS'BROMOACETATE'
p21203
S'C(Br)C([O-])=O'
p21204
sS'CPD-14933'
p21205
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p21206
sS'CPD-11549'
p21207
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=CC=C1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p21208
sS'CPD-11540'
p21209
S'CC1(C(=O)C(O)C(O)C(O1)OP(=O)([O-])OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=CC(=O)NC(=O)3)))'
p21210
sS'CPD-11541'
p21211
S'CC(C)=CCCC(C)C1(CCC2(C)(C(C)1CCC3(C)(C2CC=C4(C3CCC(O)C(C)(C)4))))'
p21212
sS'3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA'
p21213
S'CC(C)=CCCC(O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21214
sS'CPD-546'
p21215
S'CC(C([O-])=O)C(=O)[O-]'
p21216
sS'CPD-547'
p21217
S'CC(CC([O-])=O)(CC([O-])=O)O'
p21218
sS'CPD-544'
p21219
S'C(OS(=O)([O-])=O)C1(OC(C(C(C1O)O)O)O)'
p21220
sS'CPD-545'
p21221
S'COS(=O)([O-])=O'
p21222
sS'CPD-542'
p21223
S'CC(C(=O)[O-])OS(=O)(=O)[O-]'
p21224
sS'CPD-543'
p21225
S'C[N+](CCOS(=O)(=O)[O-])(C)C'
p21226
sS'CPD-540'
p21227
S'C(O)C1(COP(=O)([O-])O1)'
p21228
sS'CPD-541'
p21229
S'C(O)C(O)COP([O-])(=O)OC1(C(O)C(O)C(O)C(O)C(O)1)'
p21230
sS'CPD-548'
p21231
S'C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O'
p21232
sS'CPD-549'
p21233
S'C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC(CCC([O-])=O)=O'
p21234
sS'TRICHODIENE-CPD'
p21235
S'CC1(CCC(C)(CC=1)C2(C)(CCCC(=C)2))'
p21236
sS'10-HYDROXYDIHYDROSANGUINARINE'
p21237
S'C2(C5(=C6(OCOC(=CC(O)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p21238
sS'CPD-16549'
p21239
S'C(C=O)CN1(CCOCC1)'
p21240
sS'CPD0-1761'
p21241
S'CCCCCCCC(=O)OCC(OC(=O)CCCCCCC)CCCCO'
p21242
sS'RIBOSE-1P'
p21243
S'C(O)C1(C(O)C(O)C(OP(=O)([O-])[O-])O1)'
p21244
sS'CPD0-1811'
p21245
S'CCCCCCCCCCCCCCCC(=O)OCCO'
p21246
sS'CPD0-1810'
p21247
S'CCCCCCCCOCC(OCCCCCCCC)CO'
p21248
sS'CPD0-1816'
p21249
S'CCCCCCCCC(=O)OC(C(O)OC(=O)CCCCCCC)C'
p21250
sS'CPD0-1815'
p21251
S'CCCCCCCC(=O)OCC(O)OC(=O)CCCCCCC'
p21252
sS'CPD-11598'
p21253
S'CC1(CCC2([N+]C1)(OC3(C(C(C)2)C6(C)(C(C3)C7(CCC5(CC(OC4(OC(CO)C(O)C(O)C(O)4))CCC(C)5C(CC6)7))))))'
p21254
sS'DEOXY-HYDROXYMETHYLCYTIDINE-PHOSPHATE'
p21255
S'C2(C(N1(C=C(C(N)=NC(=O)1)CO))OC(C(O)2)COP([O-])([O-])=O)'
p21256
sS'CPD-722'
p21257
S'C1(S(=O)C(CCCCC(=O)[O-])[CH]2(NC(=O)N[CH]12))'
p21258
sS'BETA-TOCOPHEROL'
p21259
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=CC(=C(O1)2)C)C))'
p21260
sS'CPD-720'
p21261
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21262
sS'CPD-721'
p21263
S'COC1(=C(C(=CC(=C1)C([O-])=O)O)O)'
p21264
sS'CPD-724'
p21265
S'CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC(O)[CH]1(CC(O)C(O)CC(C)1[CH]2CCC(C)34))))'
p21266
sS'CPD-725'
p21267
S'CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO'
p21268
sS'5-AMINO-4-CHLORO-2-23-DIHYDROXYPHENYL'
p21269
S'C1(C=C(O)C(O)=C(C=1)N2(N=CC(N)=C(Cl)C(=O)2))'
p21270
sS'CHLOROACETIC-ACID'
p21271
S'C(C([O-])=O)Cl'
p21272
sS'CPD-12460'
p21273
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p21274
sS'Z-2-2-FURYL-3-5-NITRO-2-FURYLACRYL'
p21275
S'C1(=COC(=C1)C(=CC2(=CC=C(O2)[N+](=O)[O-]))C([N+])=O)'
p21276
sS'1-METHYLADENOSINE'
p21277
S'CN3(C=NC1(=C(N=CN1C2(OC(CO)C(O)C2O))C3=N))'
p21278
sS'CPD-15301'
p21279
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC2(C(SC)=C(O)C1(=C(SC=C1)C(O)=2))'
p21280
sS'CPD-15302'
p21281
S'CC3(C(=O)C=CC24(C[CH]1(C(C)(OC(C1)[CH]23)C4)))(CCC(=O)NC5(C(O)=CC=C(C([O-])=O)C(O)=5))'
p21282
sS'CPD-3685'
p21283
S'C1(=O)(NC(=O)NC(=O)1)'
p21284
sS'CPD-16701'
p21285
S'CC1(CCC=C(C)CC(O)C(C(C(=O)[O-])=C)CC=1)'
p21286
sS'CPD-16700'
p21287
S'CC1(=CCCC(C)=CC(O)C(C(C(=O)[O-])=C)CC1)'
p21288
sS'CPD-16703'
p21289
S'C1(C=CC(=CC=1)C2(C(NC(N2)=O)=O)(C3(C=CC=CC=3)))'
p21290
sS'CPD-16709'
p21291
S'CCCCCCCCCCC=CCCCCCCCC(=O)[O-]'
p21292
sS'CPD-15304'
p21293
S'C1(C=CC3(=C(C=1)C2(C=CN=CC=2N3)))'
p21294
sS'CPD-15305'
p21295
S'C1(N=C2(N=C(N)NC(=O)C(=NC=1C(O)C(CO)O)2))'
p21296
sS'CPD-4127'
p21297
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21298
sS'CPD-4126'
p21299
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21300
sS'CPD-4125'
p21301
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21302
sS'CPD-4124'
p21303
S'CC=C(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(O)CCC(C)1[CH]2CCC(C)34))))'
p21304
sS'CPD-4123'
p21305
S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(COC(CC([O-])=O)=O)C(O)C(O)C(O)4))=C5))))'
p21306
sS'CPD-12014'
p21307
S'CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))'
p21308
sS'CPD-12017'
p21309
S'CC(=O)NCCC1(=CNC2(=CC=C(OS([O-])(=O)=O)C=C12))'
p21310
sS'CPD-12016'
p21311
S'CC(=O)NCCC2(=CNC3(=CC=C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))C=C23))'
p21312
sS'CPD-12019'
p21313
S'COC2(C=CC1(=C(C(CC=O)=CN1)C=2))'
p21314
sS'CPD-12018'
p21315
S'COC2(C=CC1(=C(C(CCN)=CN1)C=2))'
p21316
sS'CPD-12467'
p21317
S'CC(C)C1(CC=C(C=O)CC1)'
p21318
sS'CPD-12468'
p21319
S'C2(C=C([N+]([O-])=O)C=C(SSC1(C=CC=C([N+](=O)[O-])C=1))C=2)'
p21320
sS'CPD-17257'
p21321
S'CCCCCCC=CCCCCCCCCCC([O-])=O'
p21322
sS'D-MANNOSYL-1-PHOSPHOUNDECAPRENOL'
p21323
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OC1(OC(CO)C(O)C(O)C(O)1))C)C)C)C)C)C)C'
p21324
sS'CPD-15309'
p21325
S'C2(N=C1(C(O)=NC(O)=NC1=NC=2))'
p21326
sS'4-PRENYLPHLORISOBUTYROPHENONE'
p21327
S'CC(=CCC1(=C(C=C(C(=C1O)C(C(C)C)=O)O)[O-]))C'
p21328
sS'CPD-17259'
p21329
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C[CH]=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21330
sS'CPD-10707'
p21331
S'CC(C)C2(C1(=CC(C)=CC[CH]1C(C)CC2))'
p21332
sS'TUBERACTINOMYCIN-A'
p21333
S'C(CC(C([N+])CC(NC1(C(NC(C(=O)NC(C(NC(C(NC(C(NC1)=O)C2(NC(NC(C2)O)=[N+]))=O)=CNC(=O)N)=O)CO)CO)=O))=O)O)[N+]'
p21334
sS'CPD-10705'
p21335
S'C[N+]C(CC(=O)[O-])C(=O)[O-]'
p21336
sS'L-1-GLYCERO-PHOSPHORYLCHOLINE'
p21337
S'C([N+](C)(C)C)COP([O-])(=O)OCC(O)CO'
p21338
sS'CPD-7801'
p21339
S'CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC'
p21340
sS'CPD-7800'
p21341
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCC)=O'
p21342
sS'CPD-10708'
p21343
S'CC(C)C2(C1(=CC(=C)CC[CH]1C(C)CC2))'
p21344
sS'SALICYLALDOXIME'
p21345
S'C(=C1(C(C=CC=C1)=O))NO'
p21346
sS'D-TAGATURONATE'
p21347
S'C(O)C(=O)C(O)C(O)C(O)C(=O)[O-]'
p21348
sS'CPDQT-411'
p21349
S'CSCCCCC(=NO)S'
p21350
sS'CPDQT-410'
p21351
S'CSCCCCCCCCC(SCC(N)C(O)=O)=NO'
p21352
sS'CPDQT-413'
p21353
S'CSCCCCCCC(S)=NO'
p21354
sS'CPDQT-412'
p21355
S'CSCCCCCC(S)=NO'
p21356
sS'CPDQT-415'
p21357
S'CSCCCCCCCCC(S)=NO'
p21358
sS'CPDQT-414'
p21359
S'CSCCCCCCCC(=NO)S'
p21360
sS'CPDQT-417'
p21361
S'CSCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p21362
sS'CPDQT-416'
p21363
S'CSCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p21364
sS'CPDQT-419'
p21365
S'CSCCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p21366
sS'CPDQT-418'
p21367
S'CSCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p21368
sS'3-METHYLENEOXINDOLE'
p21369
S'C=C2(C1(C=CC=CC=1NC2=O))'
p21370
sS'L-LYXOSE'
p21371
S'C1(OC(O)C(O)C(O)C(O)1)'
p21372
sS'S-N-METHYLCOCLAURINE'
p21373
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC=C(C=C3)O))C)'
p21374
sS'OH-PYR'
p21375
S'C(C(=O)C([O-])=O)O'
p21376
sS'STEAROYL-COA'
p21377
S'CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O'
p21378
sS'4-HYDROXY-BENZYL-ALCOHOL'
p21379
S'C(C1(C=CC(O)=CC=1))O'
p21380
sS'11-DEOXY-CORTISOL'
p21381
S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p21382
sS'CPD-13786'
p21383
S'CC1([CH]2(CCC3(CC([CH](C1)2)(CCC3)O)C))C'
p21384
sS'CPD-14628'
p21385
S'CCC1(OC(=O)C=CC=CC=CCC(O)CC=CC=CC(=O)C(C)C(CCC1)O)'
p21386
sS'CPD-15376'
p21387
S'CCC(O)C(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O'
p21388
sS'CPD-45'
p21389
S'C1(=O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p21390
sS'ALPHA11-ALPHA-EPOXY-15-HYDROXYTHROMBA'
p21391
S'CCCCCC(O)C=CC2(OC1(CC(O1)C(CC=CCCCC(=O)[O-])2))'
p21392
sS'5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE'
p21393
S'C(#CC1(=CC=C(S1)C2(=CC=CS2)))CCO'
p21394
sS'CPD-10474'
p21395
S'C(OS(=O)(=O)[O-])CS(=O)(=O)C1(C=CC(=CC=1)N=NC4(=C(N)C3(C(O)C(N=NC2(C=CC(S(CCOS(=O)(=O)[O-])(=O)=O)=CC=2))C(S(=O)(=O)[O-])=CC=3C=C(S([O-])(=O)=O)4)))'
p21396
sS'CPD-14620'
p21397
S'C1(C=C(O)C=CC=1C2(=C(O)C(=O)C(=C(O)C(=O)2)C3(C=C(O)C(O)=CC=3)))'
p21398
sS'CPD-17536'
p21399
S'C(=O)([O-])C(=O)CC1(C2(OC(C(O)CC1)2))'
p21400
sS'CPD-14625'
p21401
S'CCC1(OC(=O)C=CC=CC=CCC(O)CC(O)C=CCC(O)C(C)C(O)CCC1)'
p21402
sS'CPD-14627'
p21403
S'CCC1(OC(=O)C=CC=CC=CCC(O)CC(O)C=CCC(=O)C(C)C(O)CCC1)'
p21404
sS'CPD-17539'
p21405
S'CC(C)C(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p21406
sS'CPD-9647'
p21407
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C'
p21408
sS'D-SEDOHEPTULOSE-1-7-P2'
p21409
S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)C(COP([O-])(=O)[O-])=O'
p21410
sS'CPD-2752'
p21411
S'C2(=O)(C(OC1(C(C(C(C(O1)C([O-])=O)O)O)O))C[CH](N(C)2)C3(=CN=CC=C3))'
p21412
sS'2-AMINO-4-OXO-4-ALPHA-HYDROXY-'
p21413
S'C12(=NC(N)=NC(=O)[C-]1N(O)C(O)(C(O)C(O)CO)C(O)N(O)2)'
p21414
sS'CPD-13056'
p21415
S'C(O)C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p21416
sS'CPD-13057'
p21417
S'C2(=C(C(=[N+])N)C1(C(N=C(N)NC=1N2C3(C(C(C(CO)O3)O)O))=O))'
p21418
sS'CPD-13054'
p21419
S'C2(=CN(C1(=C(C(N)=NC=N1)2))C3(C(C(C(CO)O3)O)O))'
p21420
sS'CPD-13019'
p21421
S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC=C(O)C=C2))'
p21422
sS'CPD-13052'
p21423
S'C2(=C(C(N)=O)C1(C(N)=NC=NC=1N2C3(C(C(C(CO)O3)O)O)))'
p21424
sS'CPD-13053'
p21425
S'C(NC1(C(O)C(O)C=C1))C3(=CN(C2(C(O)C(O)C(CO)O2))C4(=C3C(NC(N)=N4)=O))'
p21426
sS'CPD-13050'
p21427
S'CC1(C)(CCC2(C)([CH](C1)C3(C)(C(C)(CC2)C4(=C(CC3)C5(C)([CH](CC4)C(C)(C)C(O)CC5)))))'
p21428
sS'DIGLUCOACETYL-DOCOSANOATE'
p21429
S'CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])OC1(OC(C(C(C1OC2(OC(C(C(C2O)O)O)COC(C)=O))O)O)CO)'
p21430
sS'CPD-8215'
p21431
S'CC1(C=C3(C(=C(C=1)O)C(C2(C(=CC(=CC=2O)[O-])C3=O))=O))'
p21432
sS'2-NITROTOLUENE'
p21433
S'CC1(=C(C=CC=C1)[N+](=O)[O-])'
p21434
sS'CPD-18709'
p21435
S'CCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p21436
sS'CPD-18708'
p21437
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C([O-])=O'
p21438
sS'CPD-18707'
p21439
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p21440
sS'CPD-18706'
p21441
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(CC(CC(C)C(OC1(C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O))=O)C)C'
p21442
sS'CPD-18705'
p21443
S'CCCCCCCCCCCCCCCC(O)C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p21444
sS'CPD-18704'
p21445
S'CCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O'
p21446
sS'CPD-18703'
p21447
S'CCCCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(OC(C(C(C2O)O)O)CO))CO)O)O))=O'
p21448
sS'CPD-17823'
p21449
S'CC3(=CCC(C(C)=C[CH]1(C(CC(C=O)=CC21(C(C(=C(O)O2)C(C4(C)([CH]3C=C[CH]5(C(C(C)CC(C)[CH]45)OC6(CC(C(C(C)O6)OC(C)=O)OC7(CCC(C(C)O7)OC8(CC(C(C(C)O8)OC9(CCC(C(C)O9)O))O))))))=O)=O))O))OC%10(CC(C)(C(C(C)O%10)[NH]C(=O)OC)[N+](=O)[O-]))'
p21450
sS'CPD-17822'
p21451
S'CC1(C(O)C(O)CC(O)O1)'
p21452
sS'CPD-17821'
p21453
S'CC(O)C(O)C(O)C[CH]=O'
p21454
sS'CPD-17820'
p21455
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)[O-])C)C)C'
p21456
sS'CPD-17827'
p21457
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p21458
sS'CPD-17826'
p21459
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p21460
sS'CPD-17825'
p21461
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C'
p21462
sS'CPD-17824'
p21463
S'CC3(=CCC(C(C)=C[CH]1(C=C(CO)C(C)CC21(C(C(=C(O)O2)C(C5(C)([CH]3C=C[CH]4(C(C(C)CC(C)[CH]45)OC6(CC(C(C(C)O6)O)OC7(CC(C(C(C)O7)OC8(CC(C(C(C)O8)OC)O))OC9(CC(C(C(C)O9)O)O))))))=O)=O)))OC%10(CC(C)(C(C(C)O%10)[NH]C(=O)OC)[N+](=O)[O-]))'
p21464
sS'CPD-3001'
p21465
S'C1(C(=C(C(=CC=1C=C2(OC3(=C(C2=O)C(O)=CC([O-])=C3)))O)O)O)'
p21466
sS'20S22S25S-2225-EPOXYFUROST'
p21467
S'CC6(C3(C(CC2(C4(CC=C1(CC(O)CCC(C)1C(CCC(C)23)4))))OC5(CCC(C)(CO)O5)6))'
p21468
sS'CPD-17829'
p21469
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C)C)C)C'
p21470
sS'CPD-17828'
p21471
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(CCOP(=O)([O-])[O-])C)C)C)C)C)C)C)C)C'
p21472
sS'DEOXYGUANOSINE'
p21473
S'C(O)C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p21474
sS'ALBENDAZOLE'
p21475
S'CCCSC1(C=CC2(=C(C=1)NC(=N2)NC(=O)OC))'
p21476
sS'ACRYLATE'
p21477
S'C=CC([O-])=O'
p21478
sS'2-HYDROXYSUCCINAMATE'
p21479
S'C(C(C(=O)[O-])O)C(N)=O'
p21480
sS'DATP'
p21481
S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O'
p21482
sS'CIS-P-COUMARATE'
p21483
S'C1(C=C(O)C=CC(C=CC(=O)[O-])=1)'
p21484
sS'CPD0-929'
p21485
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC5(C([O-])=O)(OC(C(O)CO)C(OC3(OC(C(CO)O)C(C(O)C3O)O))C(OC4(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C4))C5))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p21486
sS'SORBITOL'
p21487
S'C(C(C(C(C(CO)O)O)O)O)O'
p21488
sS'CPD-4061'
p21489
S'CC(C(=O)C(N1(N=CC=N1))OC2(=CC=C(C=C2)Cl))(C)C'
p21490
sS'CPD0-920'
p21491
S'CC([C-]1(OC(NC)=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p21492
sS'CPD0-923'
p21493
S'C(C(CC1(=CC(=C(C=C1)O)F))[N+])([O-])=O'
p21494
sS'CPD0-922'
p21495
S'C2(NC1(C=CC=C(F)C=1C(CC([N+])C([O-])=O)=2))'
p21496
sS'CPD-9358'
p21497
S'C1(Cl)(=CC(N)=NC(N)=N1)'
p21498
sS'L-2-HYDROXYPHYTANATE'
p21499
S'CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)[O-]'
p21500
sS'CAPSORUBIN'
p21501
S'CC(=CC=CC=C(C)C=CC=C(C)C=CC(C1(C)(CC(CC(C)(C)1)O))=O)C=CC=C(C)C=CC(C2(C)(CC(CC(C)(C)2)O))=O'
p21502
sS'6AS11AS-36A9-TRIHYDROXYPTEROCARPAN'
p21503
S'C4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p21504
sS'DIHYDROLIPOAMIDE'
p21505
S'C(CCC(N)=O)CC(S)CCS'
p21506
sS'CPD-962'
p21507
S'CC1(C=C2(C(=NC=1)C=CC=C2))'
p21508
sS'CPD-6405'
p21509
S'C1(C=CC2(OCC(NC(C=1)=2)=O))'
p21510
sS'CPD-8211'
p21511
S'C(Cl)(Cl)(S)Cl'
p21512
sS'HOMO-CIS-ACONITATE'
p21513
S'C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]'
p21514
sS'5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS'
p21515
S'CCCCCC(=O)C=CC1(C(=O)CC(O)C(CC=CCCCC(=O)[O-])1)'
p21516
sS'CPD-18563'
p21517
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C([O-])=O'
p21518
sS'CREATINE'
p21519
S'C(C(=O)[O-])N(C)C(N)=[N+]'
p21520
sS'R-CANADINE'
p21521
S'C2(CC1(C=C5(OCOC(=CC=1[CH]3(CC4(=CC=C(OC)C(OC)=C(CN23)4)))5)))'
p21522
sS'CPD-17643'
p21523
S'C(O)CCCCCCCCCCCCCCCCCO'
p21524
sS'CPD-15281'
p21525
S'COC2(C=C(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))C=CC(O)=2)'
p21526
sS'CPD-15280'
p21527
S'C[N+](C)(C)C(CC1(=CNC=N1))C(=O)[O-]'
p21528
sS'CPD-15283'
p21529
S'C(C2(OC(OC(=O)C1(C=CC(=CC=1)O))C(C(C2O)O)O))O'
p21530
sS'CPD-15285'
p21531
S'C[N+]C(CC1(=CNC=N1))C(=O)[O-]'
p21532
sS'CPD-15284'
p21533
S'C(OC(CC(O)C([O-])=O)=O)C1(OC(C(O)C(O)C(O)1)OC2(=CC4(=C([O+]=C2C3(C=CC(O)=C(O)C=3))C=C([O-])C=C([O-])4)))'
p21534
sS'CPD-12839'
p21535
S'CCCCCCCC1(=C(O)C(O)C2(=C(N1)C=CC=C2))'
p21536
sS'CPD-15286'
p21537
S'C(=O)(OC1(C(C(C(O)C(O1)CO)O)O))CC(O)C([O-])=O'
p21538
sS'CPD-12837'
p21539
S'CCCCCCCC1(=CC(O)C2(=C(N1)C=CC=C2))'
p21540
sS'CPD-12836'
p21541
S'CCCCCCCC1(=CC(=O)C2(=C(N1)C=CC=C2))'
p21542
sS'CPD-12835'
p21543
S'C(O)C2(OC(OC(C1(C=CC=CC(N)=1))=O)C(O)C(O)C(O)2)'
p21544
sS'L-2-AMINOPENTANOIC-ACID'
p21545
S'CCCC([N+])C(=O)[O-]'
p21546
sS'CPD-12830'
p21547
S'CC(CCCC(CCCC(C)CCCC(=CCC2(C=C(O)C1(=C(C=CC=C1)C(O)=2)))C)C)C'
p21548
sS'CPD-18075'
p21549
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCC2(C(C)=C(O)C1(C(=CC=CC=1)C(O)=2)))C'
p21550
sS'CPD-2209'
p21551
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC1(C(C(C(C(O1)CO)O)O)NC(=O)C)'
p21552
sS'CPD-18074'
p21553
S'CCC2(C(C)C3(OC(C=CC(C(C)CC(CCO)C(OC1(OC(C)CC([N+](C)C)C(O)1))C(C)C(O)CC(O2)=O)=O)(C)3))'
p21554
sS'CPD-2205'
p21555
S'C1(C=C(O)C=CC=1CC=NO)'
p21556
sS'CPD-2202'
p21557
S'C[N+]1(C2(C(O)CC1CC(C2)OC(=O)C(CO)C3(C=CC=CC=3)))'
p21558
sS'CPD-10629'
p21559
S'C1(C(Cl)=C(Cl)C(Cl)=C([O-])C(O)=1)'
p21560
sS'3-5-ADP'
p21561
S'C(OP(=O)([O-])[O-])C1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p21562
sS'CPD-9520'
p21563
S'C([O-])(=O)C1(C([N+])C(=O)C=CC=1)'
p21564
sS'CPD-9521'
p21565
S'C(C1(C=CCC(C1[N+])=O))(=O)[O-]'
p21566
sS'CPD-9522'
p21567
S'C(C1(=CC=CC2(C1=NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p21568
sS'CPD-9523'
p21569
S'CC(C2(CCC(=C1(C(C=C(CC1O)C)2))C))C'
p21570
sS'CPD-9524'
p21571
S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)O))C'
p21572
sS'CPD-9525'
p21573
S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)O))C'
p21574
sS'CPD-9526'
p21575
S'CC(C4(=C(C(=C(C3(=C(C=C(C(C1(C(O)=CC2(=C(C=1C)C(=C(C(=C2C=O)O)O)C(C)C)))=C3O)C)4))C=O)O)O))C'
p21576
sS'CPD-9527'
p21577
S'CC(C4(=C(C(=C(C3(=C(C=C(C(C1(C(O)=CC2(=C(C=1C)C(=C(C(=C2C=O)O)OC)C(C)C)))=C3O)C)4))C=O)O)OC))C'
p21578
sS'CPD-9528'
p21579
S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)OC))C'
p21580
sS'CPD-9529'
p21581
S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)OC))C'
p21582
sS'2-AMINO-4-OXO-6-123-TRIHYDROXYPROP'
p21583
S'C12(=NC(N)=NC(=O)[C-](NC(C(O)C(O)CO)C(O)N(O)1)2)'
p21584
sS'CPD-10888'
p21585
S'CC1(=CC=C(O)C=C(C)1)'
p21586
sS'CPD-10889'
p21587
S'CCN(CC)CC1(=C(O)C=CC(=C1)NC2(=CC=NC3(C2=CC=C(Cl)C=3)))'
p21588
sS'VINDOLINE'
p21589
S'CCC25(C=CC[N+]4(CCC3(C1(=CC=C(C=C1N(C)C(C(O)(C(=O)OC)C(OC(C)=O)2)3)OC))C45))'
p21590
sS'CPD-10880'
p21591
S'C([O-])(=O)C=C(F)C=C(C([O-])=O)Cl'
p21592
sS'CPD-10881'
p21593
S'C([O-])(=O)C(=CC=C(F)C([O-])=O)Cl'
p21594
sS'CPD-10882'
p21595
S'C([O-])(=O)C=C(Cl)C=C(C([O-])=O)F'
p21596
sS'CPD-10883'
p21597
S'C([O-])(=O)C(F)C1(OC(=O)C=C1)'
p21598
sS'CPD-10884'
p21599
S'C([O-])(=O)CC1(F)(OC(=O)C(Cl)=C1)'
p21600
sS'CPD-10887'
p21601
S'C3(=CC=C2(N=C1(CCCCC1=C(N)C2=C3)))'
p21602
sS'BUTANEDIOL'
p21603
S'CC(C(O)C)O'
p21604
sS'L-PENICILLAMINE'
p21605
S'CC(C(C(=O)[O-])[N+])(C)S'
p21606
sS'N-BENZOYL-4-HYDROXYANTHRANILATE'
p21607
S'C1(C=CC(=CC=1)C(=O)NC2(=CC(O)=CC=C(C(=O)[O-])2))'
p21608
sS'CPD-10405'
p21609
S'CC(C)C1(C4(=NC(C(NC(C3(=NC(C(NC(C2(=NC(C(N1)=O)C(C)O2))C(C)C)=O)C(C)O3))C(C)C)=O)C(C)O4))'
p21610
sS'N-ACETYL-D-GLUCOSAMINE-1-P'
p21611
S'CC(=O)NC1(C(O)C(O)C(CO)OC(OP(=O)([O-])[O-])1)'
p21612
sS'5-P-NITROPHENYLTHIOADENOSINE'
p21613
S'C(SC1(=CC=C(C=C1)[N+](=O)[O-]))C2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34)))'
p21614
sS'L-TAGATOSE-6-PHOSPHATE'
p21615
S'C(OP(=O)([O-])[O-])C1(OC(O)(CO)C(O)C(O)1)'
p21616
sS'CPD-11979'
p21617
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p21618
sS'2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE'
p21619
S'CC1(CO)(OP(=O)([O-])OP(=O)([O-])OCC(O)1)'
p21620
sS'CPD-13610'
p21621
S'CCCCCCCCCCCCCCCCCC(=O)C([N+])CO'
p21622
sS'CPD-13611'
p21623
S'CCCCCCCCCCCCCCCCCC(O)C([N+])CO'
p21624
sS'CPD-13614'
p21625
S'C=CC(C)(C)O'
p21626
sS'CPD-13616'
p21627
S'CC1(CCC3(C(CO)=CC2(CC(C)(C)CC123)))'
p21628
sS'CPD-13617'
p21629
S'CC1(CCC3(C(C=O)=CC2(CC(C)(C)CC123)))'
p21630
sS'CPD-13618'
p21631
S'CC1(CCC3(C(C([O-])=O)=CC2(CC(C)(C)CC123)))'
p21632
sS'CPD-13619'
p21633
S'CC3(C(C)C4(C=C(C([O-])=O)[CH]2(C(C1(OC1)C(=O)OC2)(C=3)4)))'
p21634
sS'26-DICHLORO-P-HYDROQUINONE'
p21635
S'C1(C(=CC(Cl)=C(C=1Cl)[O-])O)'
p21636
sS'N-METHYLHYDANTOIN'
p21637
S'C1(C(=O)NC(=O)N(C)1)'
p21638
sS'CPD-11281'
p21639
S'C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p21640
sS'CPD-9571'
p21641
S'C1(=CC=C(C=N1)C(=O)N)N'
p21642
sS'CPD-11283'
p21643
S'C1(=O)(C=CNC(=S)N1)'
p21644
sS'CPD-11282'
p21645
S'CN1(C=CNC(=S)1)'
p21646
sS'3-BETA-HYDROXYANDROST-5-EN-17-ONE'
p21647
S'CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p21648
sS'CPD-6182'
p21649
S'CC(=O)NC1(C(O)CC2(C([O-])=O)(OC(C(O)CO)C1O2))'
p21650
sS'CPD-6181'
p21651
S'C[N+](CCC([O-])=O)(C)C'
p21652
sS'CPD-1124'
p21653
S'C1(CCC(CC1)NS([O-])(=O)=O)'
p21654
sS'CPD-17629'
p21655
S'CCCCCCCCC(O)C(O)CCCCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p21656
sS'CPD-17628'
p21657
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCCCC(C(CCCCCCCCO)O)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21658
sS'CPD-8153'
p21659
S'C(=O)([O-])CC(=O)OCC4(OC(OC1(C=CC2(C(=O)C=C(OC(C=1)=2)C3(=CC=CC=C3))))C(O)C(O)C(O)4)'
p21660
sS'CPD-17624'
p21661
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCC(=O)[O-])COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21662
sS'CPD-17627'
p21663
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CCCCCCCCC(CCCCCCO)O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21664
sS'CPD-17626'
p21665
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCC[CH]=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21666
sS'CPD-17621'
p21667
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21668
sS'CPD-8150'
p21669
S'CC(CO)[N+]([O-])=O'
p21670
sS'CPD-17623'
p21671
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCC[CH]=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21672
sS'D-MANNONATE'
p21673
S'C(O)C(C(O)C(O)C(C([O-])=O)O)O'
p21674
sS'CPD-8691'
p21675
S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(CO)C)CC=C2C=3)C)))C'
p21676
sS'CPD66-27'
p21677
S'CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))'
p21678
sS'CPD-8121'
p21679
S'CCC=CCC=CCC=CCC=CCCCCCCC([O-])=O'
p21680
sS'CPD-8120'
p21681
S'CCCCCC=CCC=CCC=CCCCCCCC(=O)[O-]'
p21682
sS'CPD-8695'
p21683
S'CC(C)C1(=CC[CH]2(C3(CCCC(C)(C)[CH](CCC(=C1)2)3)C))'
p21684
sS'CPD-8694'
p21685
S'CC(C)C1(=CC2([CH](CC1)C3(C)([CH](CC=2)C(C([O-])=O)(C)CCC3)))'
p21686
sS'ETOH'
p21687
S'CCO'
p21688
sS'CPD66-21'
p21689
S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O'
p21690
sS'CPD-8699'
p21691
S'C=CC1(C)(CC2(=CC[CH]3(C(C)(C)CCCC(C)([CH](CC1)2)3)))'
p21692
sS'CPD-13534'
p21693
S'CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21694
sS'CPD-8129'
p21695
S'COC5(=CC(C1(=CC(=C(C=C1)[N+]2(=NC(=NN2C3(C=CC(=CC=3)[N+](=O)[O-]))C4(C=CC=CC=4)))OC))=CC=C5[N+]6(=NC(=NN6C7(C=CC(=CC=7)[N+]([O-])=O))C8(C=CC=CC=8)))'
p21696
sS'CPD-13536'
p21697
S'CC(=CC=CC(C)=C[CH]=O)C=CC1(=C(C)CCCC1(C)C)'
p21698
sS'CPD-13530'
p21699
S'COC(C=C(C=C(C(=O)[O-])O)C([O-])=O)=O'
p21700
sS'CPD66-28'
p21701
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p21702
sS'CPD66-29'
p21703
S'CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p21704
sS'CPD-5421'
p21705
S'COC3(=CC=C(C1(C(O)OC2(C(C(=O)1)=C(O)C=C([O-])C=2)))C=C3)'
p21706
sS'CPD1A0-6112'
p21707
S'CC2(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p21708
sS'CPD1A0-6111'
p21709
S'CC1(O[CH](CC(=O)[O-])CC2(=CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p21710
sS'CPD-11758'
p21711
S'C(N)CC1(=CC=CC=C(O)1)'
p21712
sS'CPD1A0-6117'
p21713
S'CC1(C3(=C(C[CH](CC([O-])=O)O1)C(C2(C(=C(C=CC=2)O)C(=O)3))=O))'
p21714
sS'CPD-13543'
p21715
S'CC12(CCCC(C1CCC34(C2CCC(C3)C(=C4)C([O-])=O))(C)C([O-])=O)'
p21716
sS'CPD-11753'
p21717
S'C2(NC1(C(Cl)=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p21718
sS'CPD-11752'
p21719
S'COC1(C(CO)OC(C(C1O)O)N7(C2(C(=CC=CC=2C6(C3(C(NC(C=3C5(C4(C=CC=C(C=4NC=5C=67)Cl)))=O)=O)))Cl)))'
p21720
sS'CPD1A0-6119'
p21721
S'CC3(C2(C(C1(C(=C(C=CC=1C(C=2C[CH](CC(=O)[O-])O3)=O)C4(C=CC5(=C(C=4O)C(C6(C(C)O[CH](CC(=O)[O-])CC(C5=O)=6))=O)))O))=O))'
p21722
sS'CPD-11757'
p21723
S'C([O-])(=O)C([N+])CC1(=C(O)C=CC=C1)'
p21724
sS'CPD-11756'
p21725
S'C1(C=C(C5(=C(C=1)C4(C2(C(NC(C=2C6(C3(C=CC=C(C=3N(C(C=4N5)=6)C7(C(C(C(C(CO)O7)O)O)O))Cl)))=O)=O))))Cl)'
p21726
sS'CPD-11755'
p21727
S'C6(=CC5(C4(=C(C2(NC1(C(Cl)=CC=CC=1C=2C3(=C(C(=O)NC(=O)3)4))))NC=5C(Cl)=C6)))'
p21728
sS'CPD-11754'
p21729
S'C2(NC1(C(Cl)=CC=CC=1C=2C3(C(=C(C([O-])=O)NC(C([O-])=O)=3)C4(=CNC5(=C4C=CC=C(Cl)5)))))'
p21730
sS'CPD-16396'
p21731
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p21732
sS'CPD-16394'
p21733
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC'
p21734
sS'CPD-16395'
p21735
S'CCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC)=O'
p21736
sS'CPD-16392'
p21737
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC'
p21738
sS'CPD-16393'
p21739
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC'
p21740
sS'CPD-16390'
p21741
S'CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)C(O)CCCCCCCCCCCCCC'
p21742
sS'CPD-16391'
p21743
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(OC2(C(O)C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2))(=O)[O-])C(O)CCCCCCCCCCCCCCC'
p21744
sS'CPD-14893'
p21745
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p21746
sS'ALPHA-NAPHTHALENEACETAMIDE'
p21747
S'C([NH2])(=O)CC2(C1(=CC=CC=C1C=CC=2))'
p21748
sS'N-HYDROXYL-TRYPTAMINE'
p21749
S'C2(C=C1(C(=CNC1=CC=2)CCNO))'
p21750
sS'CPD-18845'
p21751
S'CCC5(=C7(C(=O)[C-]C8(C9(C(CCC(=O)[O-])C(C)C2(N([Mg]36(N1(=C(C(CC(C)C)=C(C)C1=CC4(=C(C(O)C)C(C)=C(C=2)N34))C=C5N6C7=8)))=9)))))'
p21752
sS'CPD-18846'
p21753
S'CCCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(O)C)=C(N78)C=9))))))'
p21754
sS'DEHYDROSPHINGANINE'
p21755
S'CCCCCCCCCCCCCCCC(C(CO)[N+])=O'
p21756
sS'CPD-13283'
p21757
S'CC(C)=CCCC(C)=C1(CCC2(C1CC[CH]3(C(C)2CC[CH]4(C(C)3CCC(O)C(C)(C)4)))(C))'
p21758
sS'CPD-8346'
p21759
S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p21760
sS'TRANS-2-HEXENAL'
p21761
S'CCCC=C[CH]=O'
p21762
sS'CPD-13280'
p21763
S'CC(C)=CCCC(C)=CCCC(=C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C(C)2CCC(O)C(C)(C)3)))'
p21764
sS'CPD-8343'
p21765
S'CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p21766
sS'CPD-13286'
p21767
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC1(C(=C)CCC(C(C)(C)1)O)'
p21768
sS'CPD-8341'
p21769
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p21770
sS'CPD-8340'
p21771
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC([N+])C([O-])=O)=O'
p21772
sS'CPD-13288'
p21773
S'C3(=C(O)C=C1(C(C(C(O1)=CC2(=CC(=C(C(=C2)O)O)O))=O)=C3))'
p21774
sS'CPD-17373'
p21775
S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)COP([O-])(=O)[O-])=O'
p21776
sS'CPD-5521'
p21777
S'CC5(OC(OC2(C=C(O)C3(C(=O)C(OC1(OC(CO)C(O)C(O)C(O)1))=C(OC(C=2)=3)C4(=CC=C(O)C(O)=C4))))C(O)C(O)C(O)5)'
p21778
sS'CPD-5522'
p21779
S'CC6(OC(OC3(C=C(O)C4(C(=O)C(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))=C(OC(C=3)=4)C5(=CC=C(O)C(O)=C5))))C(O)C(O)C(O)6)'
p21780
sS'CPD-8348'
p21781
S'CCC=CCC=CCC=CCCCCCCCC(OCC(O)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p21782
sS'CPD-9716'
p21783
S'COC1(=CC(=C(C=C1C2(C(=O)C3(C=C(C(=CC(OC=2)=3)O)OC)))OC)OC)'
p21784
sS'CPD-18843'
p21785
S'CCCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)[O-])C=1C4([C-]C(=O)C3(=C(CC)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C=C)=C(N78)C=9))))))'
p21786
sS'CPD0-1598'
p21787
S'CC=CC=CC(=O)NC(C1(C=CC=CC=1))CC(=O)NC(C(C)C)C(=O)C2(C(=O)NC(=O)C(C)2)'
p21788
sS'METHYLENETETRAHYDROMETHANOPTERIN'
p21789
S'CC4([CH]3(C(C)N(C2(C=CC(CC(O)C(O)C(O)COC1(C(O)C(C(COP([O-])(=O)OC(C(=O)[O-])CCC(=O)[O-])O1)O))=CC=2))CN3C5(C(=O)NC(N)=NC(N4)=5)))'
p21790
sS'CPD0-1590'
p21791
S'CCCCC2(=CC=C(N1(C(C)(C)N=C(N)N=C(N)1))C=C2)'
p21792
sS'CPD0-1591'
p21793
S'COC3(=C(OCC1(=CC=CC=C1))C=C(CC2(C(N)=NC(N)=NC=2))C=C3)'
p21794
sS'CPD0-1594'
p21795
S'CCC2(C(OCCCOC1(C(C(F)(F)F)=CC(S(=O)(=O)N)=CC=1))=C(N)N=C(N)N=2)'
p21796
sS'7-O-PHOSPHOHYGROMYCIN-B'
p21797
S'C(OP([O-])([O-])=O)C([N+])C4(OC2(OC3(C(O)C(CO)OC(OC1(C(O)C(CC([N+])C(O)1)[N+]C))C(O2)3))C(O)C(O)C(O)4)'
p21798
sS'CPD-9762'
p21799
S'CC(C)=CCCC(C)=CC=O'
p21800
sS'DEACETYLISOIPECOSIDE'
p21801
S'C=C[CH]3(C(OC=C(C(=O)OC)[CH](C[CH]2([N+]CCC1(C=C(C(O)=CC=12)O)))3)OC4(C(O)C(C(O)C(CO)O4)O))'
p21802
sS'TRANS-3-METHYL-GLUTACONYL-COA'
p21803
S'CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CC(=O)[O-]'
p21804
sS'CPD-10398'
p21805
S'CCC(C)C4(C1(=NC(=CS1)C(NC(CC2(C=CC=CC=2))C5(=NC(C(NC(C)C3(=NC(=CO3)C(N4)=O))=O)CO5))=O))'
p21806
sS'CPD-10399'
p21807
S'CCC(C)C2(C4(=NC(C(NC(C(NC(CO)C(NC(C)C1(=NC(=CO1)C(N2)=O))=O)=O)CC3(C=CC=CC=3))=O)=CS4))'
p21808
sS'CPD-14817'
p21809
S'CCC3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(OC)=C(OC)C=1)CC[N+]2)))3)C5(C(CC4)=CC(OC)=C(OC)C=5)))'
p21810
sS'CPD-10394'
p21811
S'CCC2(NC(C1(N=C(SC=1)C(C)NC(=O)C(N(C(=O)C(C(C)C)N(C(C(OC(=O)C2)C)=O)C)C)CC3(=CC=CC=C3)))=O)'
p21812
sS'CPD-10395'
p21813
S'CC(C)C2(C4(=NC(C(NC(C)C3(=NC(C(NCC1(=NC(=CS1)C(N2)=O))=O)=C(C)O3))=O)=CS4))'
p21814
sS'AMINOBUT-CPD'
p21815
S'C(C(O)CC(=O)[O-])[N+]'
p21816
sS'CPD-10390'
p21817
S'CC(C)C2(C5(=NC(C(NC(C)C4(=NC(C(NC(C1(=NC(=CS1)C(N2)=O))CC3(C=CC=CC=3))=O)CS4))=O)C(C)O5))'
p21818
sS'CPD-10391'
p21819
S'CC(C)C3(C4(=NC(C(NC(C1(=NC(=CS1)C(NC(C2(=NC(=CS2)C(N3)=O))C(C)C)=O))C(C)C)=O)C(C)O4))'
p21820
sS'CPD-10393'
p21821
S'CC(C)C3(C4(=NC(C(NC(C)C1(=NC(=CS1)C(NC(C)C2(=NC(=C(C)O2)C(N3)=O))=O))=O)=CS4))'
p21822
sS'CPD-16938'
p21823
S'C1(NC(=O)CCC(=O)1)'
p21824
sS'CPD-16939'
p21825
S'CC=CC=CC=CC([O-])=O'
p21826
sS'CPD-16932'
p21827
S'CC(C=CCCC=CC=CC=CC=CC(NC1(=C(O)CCC(=O)1))=O)C(O)C(C)C(O)C=CC=CC=CC=CC=CCC(OC2(OC(C)C(O)C(O)C(O)2))C(C)C(=O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CC(O)CC(O)C=CCC(O)CC(O)CCC[N+]'
p21828
sS'PYRROLE-2-CARBOXYLATE'
p21829
S'C1(NC(=CC=1)C(=O)[O-])'
p21830
sS'ALENDRONATE'
p21831
S'C(CCC(O)(P(=O)([O-])O)P(=O)([O-])O)[N+]'
p21832
sS'CPD-16931'
p21833
S'CC1(=CCCC(=CCC(C)(C)C(O)CCC(C)=CCC1)C)'
p21834
sS'CPD-16936'
p21835
S'C1(CC(=O)C(N)C(=O)1)'
p21836
sS'CPD-16937'
p21837
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(C[N+])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p21838
sS'CPD-16934'
p21839
S'C(O)C(O)[CH]1(OC(O)C(O)C(O)1)'
p21840
sS'CPD-16935'
p21841
S'C1(CC(=O)C(N)=C(O)1)'
p21842
sS'methanofuran-d'
p21843
S'C(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CC2(=CC=C(OCC1(=COC(C[N+])=C1))C=C2)'
p21844
sS'CPD-12228'
p21845
S'C[C+](C)C1(CC=C(C)CC1)'
p21846
sS'URATE-3-RIBONUCLEOSIDE'
p21847
S'C(O)C3(OC(N1(C2(=C(NC1=O)C(=O)NC(=O)N2)))C(O)C3O)'
p21848
sS'CPD-14816'
p21849
S'CCC3(C[N+]4([CH](C[CH](C[CH]2(C1(C(=CC(O)=C(OC)C=1)CC[N+]2)))3)C5(C(CC4)=CC(OC)=C(OC)C=5)))'
p21850
sS'CPD-12222'
p21851
S'C=C1(C2(C(C)(C)C(C1)CC2))'
p21852
sS'CPD-12223'
p21853
S'C=C1(C2(CC(C(C)(C)1)C(C)(C)C2))'
p21854
sS'CPD-12220'
p21855
S'COC1(=CC(=CC=C1)C([O-])=O)'
p21856
sS'CPD-11787'
p21857
S'C6(=CC5(C4(=C(C2(NC1(C=CC=CC=1C=2C3(=C(C(=O)NC(=O)3)4))))NC=5C=C6)))'
p21858
sS'CPD-12224'
p21859
S'CC1(C)(C2(CC(C1CC2)=O))'
p21860
sS'CPD-12225'
p21861
S'CC2(C)(C1(CC(C(=O)C(C)(C)1)C2))'
p21862
sS'CPD-15872'
p21863
S'C(OP([O-])(=O)[O-])C2(C1(S[Mo](=O)(SCC([N+])C([O-])=O)(=O)SC=1[CH]3([CH](O2)NC4(=C(N3)C(=O)NC(N)=N4))))'
p21864
sS'CPD-15873'
p21865
S'C(C8(O[CH]%10(NC%11(N=C(N)NC(=O)C(N[CH](C9(S[Mo]1(=O)(SC5(=C(S1)[CH]6(NC7(C(=O)NC(N)=NC(N[CH](OC(COP([O-])(=O)OP(=O)([O-])OCC2(C(O)C(O)C(O2)N3(C=NC4(C(=O)NC(N)=NC3=4))))5)6)=7))))SC8=9))%10)=%11))))OP([O-])(=O)OP(OCC%12(C(O)C(O)C(O%12)N%13(C=NC%14(=C%13N=C(N)NC(=O)%14))))([O-])=O'
p21866
sS'12-OXO-TRANS-10-DODECENOATE'
p21867
S'[CH](C=CCCCCCCCCC(=O)[O-])=O'
p21868
sS'TETRACHLOROHYDROQUINONE'
p21869
S'C1(C(=C(C(Cl)=C([O-])C(Cl)=1)Cl)[O-])Cl'
p21870
sS'CPD-15876'
p21871
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(=C(SC)C(=O)C1(C=CC=CC=1C(=O)2)))C'
p21872
sS'CPD-15874'
p21873
S'C(C5(O[CH]7(NC8(N=C(N)NC(=O)C(N[CH](C6(S[Mo]1(=O)(SC2(=C(S1)[CH]3(NC4(C(=O)NC(N)=NC(N[CH](OC(COP([O-])(=O)[O-])2)3)=4))))SC5=6))7)=8))))OP([O-])(=O)[O-]'
p21874
sS'CPD-15875'
p21875
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(=C(C)C(=O)C1(C(C)=CC=CC=1C(=O)2)))C'
p21876
sS'GLOBOMYCIN'
p21877
S'CCCCCCC1(OC(=O)CNC(=O)C(NC(=O)CC(CO)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(C)1)C(C)CC)C(C)O)'
p21878
sS'HEPTOSYL-KDO2-LIPID-IVA'
p21879
S'CCCCCCCCCCCC(O)CC(=O)NC5(C(OC(COC1(C(C(C(C(O1)COC4(C([O-])=O)(OC(C(O)CO)C(OC2(OC(C(CO)O)C(C(O)C2O)O))C(OC3(C([O-])=O)(OC(C(O)CO)C(O)C(O)C3))C4))OP([O-])([O-])=O)OC(CC(CCCCCCCCCCC)O)=O)NC(CC(CCCCCCCCCCC)O)=O))C(O)C(OC(=O)CC(O)CCCCCCCCCCC)5)OP([O-])(=O)[O-])'
p21880
sS'CPD-15879'
p21881
S'CC3(C2(CCC(C)(COC1(OC(CO)C(O)C(O)C(O)1))O2)O[CH]4([CH]3C5(C)([CH](C4)[CH]6([CH](CC5)C%11(C)(C(=CC6)CC(OC%10(OC(CO)C(OC8(OC(CO)C(O)C(OC7(OC(C(O)C(O)C(O)7)CO))C(O)8))C(O)C(OC9(OC(C)C(O)C(O)C(O)9))%10))CC%11)))))'
p21882
sS'CPD-10570'
p21883
S'CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C(=CCC2)C=CC3(CC(O)CCC(C)=3)))'
p21884
sS'CPD-10571'
p21885
S'CC(C#CC=CC[N+](C)CC2(=CC=CC1(C=CC=CC=12)))(C)C'
p21886
sS'CPD-10574'
p21887
S'CC1(C(=CC=CC=1)C([O-])=O)'
p21888
sS'CPD-10575'
p21889
S'CC1(C=CC(=C(C=1)O)C([O-])=O)'
p21890
sS'CPD-10576'
p21891
S'C(C1(C=CC(Cl)=CC=1O))([O-])=O'
p21892
sS'CPD-10577'
p21893
S'CC(CCC(O)C(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p21894
sS'CPD-10578'
p21895
S'CC(CC(=O)[O-])[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p21896
sS'DISULFIRAM'
p21897
S'CCN(C(SSC(N(CC)CC)=S)=S)CC'
p21898
sS'GEISSOSCHIZINE'
p21899
S'C[CH]=C4(C(C(C=O)C(=O)OC)C[CH]3(N(CCC2(C1(C(=CC=CC=1)NC=23)))C4))'
p21900
sS'CPD-18938'
p21901
S'C([O-])(=O)C([N+])CCC=N'
p21902
sS'N6N6N6-TRIMETHYL-L-LYSINE'
p21903
S'C[N+](CCCCC(C([O-])=O)[N+])(C)C'
p21904
sS'CPD-18931'
p21905
S'CCOC(C(CC(C)C)O)=O'
p21906
sS'CPD-18932'
p21907
S'C([O-])(=O)CC(C([O-])=O)=C[PH]([O-])=O'
p21908
sS'CPD-18933'
p21909
S'CC([C-]1(OC(N)=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p21910
sS'CPD-18934'
p21911
S'CC(C(O)C([O-])=O)C2(=CNC1(=C(C=CC=C1)2))'
p21912
sS'CPD-18935'
p21913
S'C(NC(N)=[N+])=CCC([N+])C(=O)[O-]'
p21914
sS'CPD-4921'
p21915
S'C=C1(C2(CCC(C1(C)C)C2))'
p21916
sS'CPD-18937'
p21917
S'CC(C(O)C(=O)NC(=N)NC=CCC(C([O-])=O)[N+])C2(=CNC1(=C(C=CC=C1)2))'
p21918
sS'CPD-14383'
p21919
S'C3(=CC=C2(OC1(=CC=CC=C1C(=O)C2=C3)))'
p21920
sS'RHAMNULOSE-1P'
p21921
S'CC(C(C(C(COP([O-])(=O)[O-])=O)O)O)O'
p21922
sS'CPD-10128'
p21923
S'CN(C)C3(C2(N=CN(C1(OC(CO)C([N+])C(O)1))C=2[N+]=CN3))'
p21924
sS'CPD-7005'
p21925
S'C=CC2(=C(C)C5(=CC1(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(N=1)=C7([C-](C(OC)=O)C(=O)C6(C(C)=C4(N([Mg]N(C2=CC3(C(C)=C(CC)C(N=3)=C4))5)C=67))))))'
p21926
sS'CPD-7004'
p21927
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCC=C(C)C)C5(=[N+]([Mg--]36([N+]1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p21928
sS'CPD-14382'
p21929
S'C(=O)([O-])C1(CC=CCC=1)'
p21930
sS'CPD-7006'
p21931
S'C=CC2(C(C)=C4(C=C9(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCC=C(C)C)C5(=[N+]([Mg--]36([N+]1(=C(C(CC)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p21932
sS'CPD-7000'
p21933
S'CC(C)[CH]=O'
p21934
sS'CPD-7003'
p21935
S'CC(=CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p21936
sS'CPD-7002'
p21937
S'CC(=CCCC(=CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p21938
sS'D-LACTATE'
p21939
S'CC(C([O-])=O)O'
p21940
sS'CPD-16821'
p21941
S'C1(C=CC(=CC=1)OS(=O)(=O)[O-])'
p21942
sS'CPD0-2067'
p21943
S'CC(CS)C(N1(CCCC(C(=O)O)1))=O'
p21944
sS'P-CHLOROPHENYLALANINE'
p21945
S'C1(C(=CC=C(C=1)Cl)CC([N+])C([O-])=O)'
p21946
sS'CPD0-2065'
p21947
S'CCOC(C(CCC1(C=CC=CC=1))NC(C)C(N2(CCCC(C(=O)O)2))=O)=O'
p21948
sS'CPD0-2064'
p21949
S'CCCCCC=CC(OO)C=CCCCCCCCC(=O)[O-]'
p21950
sS'RB+'
p21951
S'[Rb+]'
p21952
sS'CPD0-2062'
p21953
S'C(O)C1(OC(C(C(C1O)O)O)OC2(C=CC([N+](=O)[O-])=CC=2))'
p21954
sS'CPD0-2061'
p21955
S'CC(C)=CCC1(=C(C)C(O)=C(OC)C(OC)=C(O)1)'
p21956
sS'CPD0-2060'
p21957
S'C1(NC2(=C(N=1)N=C(N)NC(N)2))'
p21958
sS'CPD0-2069'
p21959
S'CON=C(C1(=CC=CO1))C(=O)NC2(C(=O)N3(C(C([O-])=O)=C(COC(=O)N)CS[CH]23))'
p21960
sS'CPD0-2068'
p21961
S'CC3(=C(C(=O)[O-])N2(C(=O)C(NC(=O)C([N+])C1(=CCC=CC1))[CH]2SC3))'
p21962
sS'CPD0-963'
p21963
S'CC2(C(N)=NC(OC)N(C1(OC(COP(O[a'
p21964
sS'DIFLUOROMETHYLORNITHINE'
p21965
S'C(CCC(C(F)F)([N+])C(=O)[O-])[N+]'
p21966
sS'CPD-8890'
p21967
S'C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)'
p21968
sS'CPD-8897'
p21969
S'CC(C)CCCC(C)[CH]4(CC[CH]5([CH]3(CC1(OC21(CC(O)CCC(C)2[CH]3CCC(C)45)))))'
p21970
sS'CPD-14474'
p21971
S'C(=O)([O-])CC([N+])C1(C=CC=CC=1)'
p21972
sS'CPD0-2249'
p21973
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%34(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%33(C(=O)[O-])(OC(C(OC%29(C(O)C(OC%28(C(O)C(OC3(C(O)C(C(O)C(COC2(OC(CO)C(O)C(O)C(O)2))O3)OC%26(OC(CO)C(O)C(O)C(OC%25(C(O)C(O)C(O)C(COC%24(C(O)C(O)C(O)C(C(O)COC%22(OC(C(O)C(OC%21(C(OC(C)=O)C(OC%20(OC(COC%19(C(OC%17(OC(C(O)C(OC%16(C(OC(C)=O)C(OC%15(OC(COC%14(C(OC%12(OC(C(O)C(OC%11(C(OC(C)=O)C(OC%10(OC(COC9(C(OC7(OC(C(O)C(OC6(C(OC(C)=O)C(OC5(OC(COC4(C(O)C(O)C(C(CO)O)O4))C(O)C(O)C(O)5))C(O)C(C)O6))C(NC(=O)C)7)COC8(C(O)C(O)C(O)C(CO)O8)))C(O)C(C(CO)O)O9))C(O)C(O)C(O)%10))C(O)C(C)O%11))C(NC(=O)C)%12)COC%13(C(O)C(O)C(O)C(CO)O%13)))C(O)C(C(CO)O)O%14))C(O)C(O)C(O)%15))C(O)C(C)O%16))C(NC(=O)C)%17)COC%18(C(O)C(O)C(O)C(CO)O%18)))C(O)C(C(CO)O)O%19))C(O)C(O)C(O)%20))C(O)C(C)O%21))C([N-]C(=[O+])C)%22)COC%23(C(O)C(O)C(O)C(CO)O%23)))O%24))O%25))%26)))C(OP([O-])(=O)[O-])C(C(O)COC%27(C(O)C(O)C(O)C(C(O)CO)O%27))O%28))C(OP([O-])(=O)[O-])C(C(O)CO)O%29))C(OC%31(C(=O)[O-])(CC(C(OC%30(OC(C(O)C(O)C(O)%30)C))C(C(O)CO)O%31)OC%32(C(=O)[O-])(CC(C(O)C(C(O)CO)O%32)O)))C%33)C(O)CO))C%34OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p21974
sS'CPD-14471'
p21975
S'C[N+]4(CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p21976
sS'CPD0-1033'
p21977
S'C(C3(C(C(C(N2(C1(=NC=NC(=C1N=C2)N)))(O3)CO)O)O))O'
p21978
sS'CPD0-2241'
p21979
S'CC1(N3(CCC[CH]4(C(=O)NCC(=O)NCC(=O)NCC(=O)N[CH]5(CCCN2(O[Fe---]6([O+]=1)([O+]=C(C)2)(O3)([O+]=C(C)N(CCC[CH](C(=O)N4)NC(=O)5)O6))))))'
p21980
sS'CPD0-2240'
p21981
S'CCCCCCCCCCCCCC(=O)OC(CC(OC2(C(C(OCC1(OC(OP([O-])(=O)[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(C2OP([O-])([O-])=O)COC6(C([O-])=O)(OC(C(O)CO)C(OC4(OC(C(CO)O)C(C(OC3(OC(C(CO)O)C(C(O)C3O)OP([O-])(=O)[O-]))C4O)O))C(OC5(C(=O)[O-])(OC(C(O)CO)C(O)C(O)C5))C6))NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p21982
sS'CPD0-2247'
p21983
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%10(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC9(C(=O)[O-])(OC(C(OC5(C(O)C(OC4(C(O)C(OC2(C(O)C(C(O)C(CO)O2)O))C(OP([O-])(=O)[O-])C(C(O)COC3(C(O)C(O)C(O)C(C(O)CO)O3))O4))C(OP([O-])(=O)[O-])C(C(O)CO)O5))C(OC7(C(=O)[O-])(CC(C(OC6(OC(C(O)C(O)C(O)6)C))C(C(O)CO)O7)OC8(C(=O)[O-])(CC(C(O)C(C(O)CO)O8)O)))C9)C(O)CO))C%10OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p21984
sS'CPD-14478'
p21985
S'C=C1(C(CCC2(C)(C(C(C3(=C(C)C(CC(C(O)C12)C(C)(C)3)OC(C)=O))OC(C)=O)OC(C)=O))OC(C)=O)'
p21986
sS'CPD0-2245'
p21987
S'CC(C(=O)NC(C)C([O-])=O)NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R2])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)O[R1])'
p21988
sS'CPD0-2244'
p21989
S'CCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(OC(C(C1OP([O-])(=O)[O-])O)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p21990
sS'CPD-4864'
p21991
S'CC(C#N)C'
p21992
sS'ADP-D-GLUCOSE'
p21993
S'C(C1(C(C(C(C(O1)OP(OP(OCC2(OC(C(C2O)O)N3(C4(N=CN=C(N)C(N=C3)=4))))(=O)[O-])(=O)[O-])O)O)O))O'
p21994
sS'THREOSE'
p21995
S'[CH](=O)C(O)C(O)CO'
p21996
sS'CPD-13845'
p21997
S'CC1(=CN(C(=O)NC(=O)1)C3(CC(O)C(COP(=O)([O-])OP(=O)([O-])OC2(OC(C)C(O)C(=O)C(O)2))O3))'
p21998
sS'CPD-13844'
p21999
S'CC1(C(O)C([N+](C)C)C(O)C(O)O1)'
p22000
sS'SIROHYDROCHLORIN'
p22001
S'CC2(CC(=O)[O-])(C1(=CC5(=NC(=CC4(NC(C=C3(N=C(C=C(N1)C(CCC(=O)[O-])2)C(CC(=O)[O-])=C(CCC(=O)[O-])3))=C(CCC(=O)[O-])C(CC(=O)[O-])=4))C(C)(CC(=O)[O-])C(CCC(=O)[O-])5)))'
p22002
sS'S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE'
p22003
S'C[S+](CCC(C([O-])=O)=O)CC1(OC(C(C1O)O)N3(C2(=NC=NC(=C2N=C3)N)))'
p22004
sS'STEARIC_ACID'
p22005
S'CCCCCCCCCCCCCCCCCC(=O)[O-]'
p22006
sS'MANNITOL-1P'
p22007
S'C(C(C(C(C(COP([O-])([O-])=O)O)O)O)O)O'
p22008
sS'CPD-17385'
p22009
S'CCC=CCC=CCC=CCC=CCC=CCC=CCCCCC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O'
p22010
sS'DEHYDROQUINATE'
p22011
S'C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)'
p22012
sS'CPD-8974'
p22013
S'COP([O-])(=S)OC'
p22014
sS'CPD-8975'
p22015
S'CC1(C=C(OP(OC)(OC)=S)C=CC([N+](=O)[O-])=1)'
p22016
sS'PHENYLGLYOXYLATE'
p22017
S'C(=O)(C(C1(C=CC=CC=1))=O)[O-]'
p22018
sS'CPD-8973'
p22019
S'COP(OC1(=CC=C(C=C1)[N+](=O)[O-]))(OC)=S'
p22020
sS'CPD-14094'
p22021
S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p22022
sS'CPD-8978'
p22023
S'CCOP([O-])(=O)[O-]'
p22024
sS'CPD-8979'
p22025
S'C(CCC([O-])=O)(N)=O'
p22026
sS'S-ACETYLPHOSPHOPANTETHEINE'
p22027
S'CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-])[O-]'
p22028
sS'PROCLAVAMINATE'
p22029
S'C1(CC(=O)N1C(C(=O)[O-])C(O)CC[N+])'
p22030
sS'CPD-10082'
p22031
S'CC(=O)NC(CC1(C=CC(O)=CC=1))C(=O)NC2(C(O)C(OC(CO)2)N3(C4(=C(N=C3)C(N)=NC=N4)))'
p22032
sS'CPD-11566'
p22033
S'CC2(C=C(O)C=C1(OC(CC(=O)CC(=O)[O-])=CC(=O)C1=2))'
p22034
sS'SCOPOLAMINE'
p22035
S'CN2(C3(CC(OC(C(C1(=CC=CC=C1))CO)=O)CC2C4(OC34)))'
p22036
sS'CPD-6626'
p22037
S'COC6(=CC(C=CC(=CC(C=CC1(=CC(=C(C=C1)OC2(C(C(C(C(O2)COC3(C(C(C(C(O3)CO)O)O)O))O)O)O))OC))=O)O)=CC=C(OC4(OC(C(C(C4O)O)O)COC5(OC(C(C(C5O)O)O)CO)))6)'
p22038
sS'2-KETO-6-AMINO-CAPROATE'
p22039
S'C(CC(=O)C(=O)[O-])CC[N+]'
p22040
sS'CPD-12927'
p22041
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(C([CH]=O)C(O)CCC(C)1[CH]2CCC(C)34))))'
p22042
sS'CPD0-1609'
p22043
S'C1(C=CC2(=C(N=1)C3(=C(C=C2)C=CC=N(=O)3)))'
p22044
sS'CPD0-1601'
p22045
S'C(OP([O-])(=O)OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N2(N=CC(=O)NC(=O)2))'
p22046
sS'CPD0-1606'
p22047
S'CC(C)=CCCC(C([O-])=O)=C3(C(OC(=O)C)CC4(C)(C2(C)(CCC1(C(C)C(O)CCC(C)1C2C(O)CC34))))'
p22048
sS'CPD0-1607'
p22049
S'CC(C)SC1(OC(COC(C)=O)C(O)C(O)C(O)1)'
p22050
sS'CPD0-1604'
p22051
S'C#CC(O)C(=O)OCC'
p22052
sS'CPD0-1605'
p22053
S'CC1(C(CO)=CN=C(C)C(O)=1)'
p22054
sS'CPD-520'
p22055
S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p22056
sS'CPD-521'
p22057
S'COC(=O)CC(=O)C(=O)[O-]'
p22058
sS'CPD-522'
p22059
S'CC(OCC1(OC(C(C(C1O)O)O)O))=O'
p22060
sS'CPD-524'
p22061
S'CC(OC1(C=CC=CC=1C([O-])=O))=O'
p22062
sS'CPD-526'
p22063
S'C(C1(OC(C(C(C1O)O)O)=O))=O'
p22064
sS'CPD-527'
p22065
S'[Pb]=S'
p22066
sS'ATROPINE'
p22067
S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(CO)C3(C=CC=CC=3)))'
p22068
sS'CPD-529'
p22069
S'CC3(OC(OC1(C(O)C(OP(=O)([O-])[O-])C(NC(N)=[N+])C(O)C(NC(N)=[N+])1))C(OC2(OC(CO)C(O)C(O)C([N+]C)2))C(O)(C=O)3)'
p22070
sS'MI-PENTAKISPHOSPHATE'
p22071
S'C1(O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)1)'
p22072
sS'CPD-15911'
p22073
S'CC(C)=CCCC(C)=CCCC(O)(C)[CH]3(CC2(C1(=CC=CC=C1[N+](=C(C)C=2O3)[O-])))'
p22074
sS'CPD-16941'
p22075
S'CC=CC=CC=CC(NC1(=C(O)CCC(=O)1))=O'
p22076
sS'CPD-12221'
p22077
S'CBr'
p22078
sS'CPD-12816'
p22079
S'CCCCCCCCCCCCCCCCCC(=O)OCC(COP(OCC([N+])C(=O)[O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC'
p22080
sS'CYCLOHEXYL-ISOCYANIDE'
p22081
S'[C-]#[N+]C1(CCCCC1)'
p22082
sS'CPD-15910'
p22083
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C1(C=CC=CC=1[N+](=C(C)C(O)=2)[O-]))'
p22084
sS'6-KESTOSE'
p22085
S'C(C3(OC(OC2(OC(COC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO)C(C(O)C3O)O))O'
p22086
sS'N-5-PHOSPHORIBOSYL-ANTHRANILATE'
p22087
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)NC2(C=CC=CC(C(=O)[O-])=2))'
p22088
sS'DIHYDROSTERCULIC-ACID'
p22089
S'CCCCCCCCC1(CC1CCCCCCCC(=O)[O-])'
p22090
sS'CPD-298'
p22091
S'CC([N+]C)C(=O)[O-]'
p22092
sS'CPD-299'
p22093
S'CC(=O)CC([N+])C(=O)[O-]'
p22094
sS'N-HYDROXYMETHYLUREA'
p22095
S'C(O)NC(=O)N'
p22096
sS'CPD-292'
p22097
S'CCCCCCCCCCCCCC=C[CH]=O'
p22098
sS'CPD-293'
p22099
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p22100
sS'CPD-290'
p22101
S'C([O-])(=O)C1(O)(C=CC=CC(O)1)'
p22102
sS'CPD-291'
p22103
S'C(=O)([O-])CCCCC(=O)C([O-])=O'
p22104
sS'CPD-296'
p22105
S'C(S)CC(S)CCCCC(=O)[O-]'
p22106
sS'CPD-294'
p22107
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p22108
sS'CPD-9132'
p22109
S'CC1(C=CC(=CC=1[N+](=O)[O-])[N+]([O-])=O)'
p22110
sS'2-CARBOXY-D-ARABINITOL-1-PHOSPHATASE'
p22111
S'C(C(C(C(COP([O-])([O-])=O)(C([O-])=O)O)O)O)O'
p22112
sS'CPD-1162'
p22113
S'C(OP(=O)([O-])[O-])C2(OC(OC1(=CC=C(O)C=C1))C(O)C(O)C(O)2)'
p22114
sS'DGMP'
p22115
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p22116
sS'CPD-16726'
p22117
S'C1(OC(O)C2(=CC(=O)OC(=C1)2))'
p22118
sS'CPD-16725'
p22119
S'C1(O)(OCC2(=CC(=O)OC(=C1)2))'
p22120
sS'CPD-16724'
p22121
S'C(O)C1(=CC(=O)C2(OC(C(=O)1)2))'
p22122
sS'CPD-16723'
p22123
S'C(O)C1(=CC(O)C2(OC(C(=O)1)2))'
p22124
sS'CPD-16722'
p22125
S'[CH](=O)C1(=CC(=CC=C(O)1)O)'
p22126
sS'CPD-16721'
p22127
S'C(O)C1(=C(O)C=CC(O)=C1)'
p22128
sS'CPD-16720'
p22129
S'CC1(=CC(O)=CC=C(O)1)'
p22130
sS'CPD-12923'
p22131
S'C1(OC2(OC1C(O)C(O)C(O)2))'
p22132
sS'CPD-9752'
p22133
S'CC(C2(=CC(=C(C1(=C(C=C(C(=C1)O)C)2))C)O))C'
p22134
sS'ETHYL-S-3-HYDROXYHEXANOATE'
p22135
S'CCCC(O)CC(=O)OCC'
p22136
sS'CPD-15912'
p22137
S'CC(C)=CCCC(C)=CCCC1(OC1CC3(C2(C=CC=CC=2[N+](=C(C)C(O)=3)[O-])))(C)'
p22138
sS'CPD-9756'
p22139
S'CC1(OC(C(CC1=O)O)OP(OP(OCC2(OC(C(C2O)O)N3(C(N=C(C=C3)N)=O)))(=O)[O-])(=O)[O-])'
p22140
sS'CPD-16729'
p22141
S'C1(CSCC(C(=O)[O-])=NC(C(=O)[O-])1)'
p22142
sS'CPD-16728'
p22143
S'C1(C(C(=O)[O-])N=C(C(=O)[O-])CS1)'
p22144
sS'CPD-12037'
p22145
S'C1(C=C(O)C=CC=1[CH]=C2(C(=O)C3(C(O2)=CC(O)=CC=3)))'
p22146
sS'CPD-12036'
p22147
S'C4(C=C3(C(=O)[CH](C2(OC1(C=CC(=O)C=C1)2))OC3=CC(O)=4))'
p22148
sS'CPD-12033'
p22149
S'C1(C=C(O)C=CC=1C(O)[CH]2(OC3(C(C(=O)2)=CC=C(C=3)O)))'
p22150
sS'CPD-12032'
p22151
S'C1(C=C(O)C=CC=1C(OO)[CH]2(OC3(C(C(=O)2)=CC=C(O)C=3)))'
p22152
sS'CPD-12031'
p22153
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC5(OC(CO)C(OC4(OC(C)C(OC3(C(O)C(O)C(C(OC2(C(O)C(O)C(C(O)COC1(C(O)C(O)C(C(O)CO)O1))O2))CO)O3))C(O)C(O)4))C(O)C(NC(C)=O)5)'
p22154
sS'CPD-12030'
p22155
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(C)C(OC2(C(O)C(O)C(C(OC1(C(O)C(O)C(C(O)CO)O1))CO)O2))C(O)C(O)3))C(O)C(NC(C)=O)4)'
p22156
sS'CPD-9278'
p22157
S'CCCS(CC(C(=O)[O-])[N+])=O'
p22158
sS'CPD-12039'
p22159
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OC1(OC(COP(=O)([O-])[O-])C(O)C(O)1)'
p22160
sS'CPD-12038'
p22161
S'C(OC1(C=CC(O)=CC=1))=C2(OC3(C(C(=O)2)=CC=C(O)C=3))'
p22162
sS'AMP-GROUP'
p22163
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP([O-])([O-])=O'
p22164
sS'NADH'
p22165
S'C1(=C(CC=CN1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)'
p22166
sS'CPD-12959'
p22167
S'CC1(C(O)CCC(O)O1)'
p22168
sS'2-HEXAPRENYL-6-METHOXY-14-BENZOQUINOL'
p22169
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C'
p22170
sS'NADP'
p22171
S'C5(=[N+](C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(C=C5)C(=O)N)'
p22172
sS'CPDQT-436'
p22173
S'COC2(C1(=C(NC=C(C[N+])1)C=CC=2))'
p22174
sS'CPDQT-435'
p22175
S'COC2(C1(=C(NC=C(CNC(=S)SCC(NC(=O)C([N+])CCC(=O)[O-])C(=O)NCC(=O)[O-])1)C=CC=2))'
p22176
sS'CPDQT-434'
p22177
S'C(NC(=S)SCC(NC(=O)C([N+])CCC(=O)[O-])C(=O)NCC(=O)[O-])C1(=CNC2(=C1C=CC=C2))'
p22178
sS'CPDQT-433'
p22179
S'COC2(C1(=C(NC=C(CN=C=S)1)C=CC=2))'
p22180
sS'CPDQT-432'
p22181
S'COC2(=C1(C(NC=C(CC(=NOS(=O)([O-])=O)[S-])1)=CC=C2))'
p22182
sS'CPD-12787'
p22183
S'CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC7(OC(CO)C(OC6(OC(CO)C(O)C(OC5(OC(COC(=O)C)C(O)C(O)C(OC4(OC(C([O-])=O)C(OC3(OC(COC2(OC(COC1(OC(C)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3))C(O)C(O)4))5))C(O)6))C(O)C(O)7))C)C)C)C)C)C)C'
p22184
sS'CPD0-1376'
p22185
S'C2(CCC([N+]C1(CCCCC1))CC2)'
p22186
sS'44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET'
p22187
S'CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C)C(CCC(C)12)O))3))4))'
p22188
sS'5-HYDROXYTHIOPHENE-2-CARBONYL-COA'
p22189
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C1(SC([O-])=CC=1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22190
sS'CPD-12952'
p22191
S'CC1(=CC2(C(C(O)=C1)=C3(C(=C(O)C=2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p22192
sS'CPD-12780'
p22193
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OC%10(OC(CO)C(OC9(OC(CO)C(OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC3(OC(CO)C(O)C(O)C(OC2(OC(C([O-])=O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))3))C(O)4))C(O)C(O)5))C(OC8(OC(CO)C(O)C(O)C(OC7(OC(C([O-])=O)C(OC6(OC(CO)C(O)C(O)C(O)6))C(O)C(O)7))8))C(O)9))C(O)C(O)%10)'
p22194
sS'CPD-12565'
p22195
S'CC(=O)NC1(C(O)OC(COS(=O)(=O)[O-])C(O)C(O)1)'
p22196
sS'CPD-12953'
p22197
S'CC1(O)(CC2(C(C(=O)C1)=C3(C(=C(O)C=2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p22198
sS'CPD-15674'
p22199
S'CC(=[N+])NC1(C(NC(=O)C)C(O)OC(C(=O)[O-])C(O)1)'
p22200
sS'CPD-15247'
p22201
S'CCCCCCCCCCCCCC(CC(=O)OC4(CN(C)C(C(OC1(C(O)C(O)C(C[N+])O1))C3(OC(C2(N=CC(=O)NC(=O)2))C(OS(=O)(=O)[O-])C(O)3))C(=O)N(C)C(C([O-])=O)4))OC(=O)CC(C)CC(=O)OC5(OC(C)C(OC)C(OC)C(OC)5)'
p22202
sS'CPD0-1373'
p22203
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)CC(C([O-])=O)O1)'
p22204
sS'CPD-11472'
p22205
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(CC=1C)OC2(OC(CO)C(O)C(O)C(O)2))(C)C))C)C)C=CC=C(C=CC3(=C(CCCC3(C)C)C))C'
p22206
sS'CPD-15916'
p22207
S'C1(=NC2(=C(N1)C(=S)NC=N2))'
p22208
sS'CPD-12956'
p22209
S'CC1(O)(CC2([C-](C(=O)C1)C3(C(C(=O)C=2)=C(O)C4(=C(C=3)C=CC=C(O)4))))'
p22210
sS'A-3-OXO-ACID'
p22211
S'C([R])C(=O)CC(=O)[O-]'
p22212
sS'CPD-7197'
p22213
S'CC(C=CC=C(C=CC12(C(CC(CC1(O2)C)O)(C)C))C)=CC=CC=C(C=CC=O)C'
p22214
sS'CPD-12957'
p22215
S'CC1(C=C(C(=C(O)C=1)C2(=C(C(=O)[O-])C(=O)C3(=C(C(=O)2)C=CC=C(O)3)))C=O)'
p22216
sS'CPD-12560'
p22217
S'C1(C=CC(O)=C([O-])C=1)'
p22218
sS'CPD-12563'
p22219
S'CC(=O)NC2(C(O)OC(CO)C(OS(=O)(=O)[O-])C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)'
p22220
sS'CPD-17364'
p22221
S'CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p22222
sS'--CAMPHOR'
p22223
S'CC1(C)([CH]2(CC(=O)C1(C)CC2))'
p22224
sS'CPD-17365'
p22225
S'CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p22226
sS'CPD-10768'
p22227
S'CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC3(=CC=C(CC(C(C(CO)O)O)O)C=C3)'
p22228
sS'CPD-10764'
p22229
S'CC(NC2(C=CC(CC(O)C(O)C(O)COC1(C(O)C(O)C(COP([O-])(=O)OC(C(NC(CCC(=O)[O-])C(=O)[O-])=O)CCC(=O)[O-])O1))=CC=2))C3(=C(NC4(C(=N3)C(N=C(N=4)N)=O))C)'
p22230
sS'CPD-10767'
p22231
S'CC(C1(C(C)NC2(=C(N=1)C(NC(=N2)N)=O)))NC3(=CC=C(CC(C(C(COP([O-])(=O)[O-])O)O)O)C=C3)'
p22232
sS'CPD-10766'
p22233
S'C(NC2(C=CC(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))=CC=2))C3(CNC4(=C(N=3)C(=O)NC(N)=N4))'
p22234
sS'CPD-10760'
p22235
S'C(O)C(O)C(O)[CH]1(C([N+])C(O)CC(O)(C(=O)[O-])O1)'
p22236
sS'CPD-10763'
p22237
S'CC(NC2(=CC=C(CC(O)C(O)C(O)COC1(C(O)C(O)C(COP([O-])(=O)OC(C([O-])=O)CCC(=O)[O-])O1))C=C2))C3(=C(NC4(C(=N3)C(N=C(N=4)N)=O))C)'
p22238
sS'CPD-10762'
p22239
S'CC(=O)NC1(=COC(CO)C(O)C(O)1)'
p22240
sS'CPD-18541'
p22241
S'CC(C)C1(C(=O)OCC(C(NC(C)C(N(C)C2(CSSCC(C(N(C)1)=O)N(C)C(C(C)NC(C(COC(C(C(C)C)N(C)C2=O)=O)NC(C4(C=NC3(=CC=CC=C3N=4)))=O)=O)=O))=O)=O)NC(C6(C=NC5(=CC=CC=C5N=6)))=O)'
p22242
sS'CPD-18540'
p22243
S'CN3(C(=O)CNC(=O)C(NC(=O)C2(N=C1(C=CC=CC1=CC(O)=2)))CSC(=O)C(CSC)N(C)C(=O)C6(CSSCC3C(=O)N(C)C(CSC)C(=O)SCC(NC(=O)C5(=NC4(=CC=CC=C4C=C(O)5)))C(=O)NCC(N6C)=O))'
p22244
sS'CPD-14868'
p22245
S'CCC=CCC=CCC=CCCC=CCCCC(=O)[O-]'
p22246
sS'CPD-14869'
p22247
S'CCCCCC=CCC=CCCC=CCCCC(=O)[O-]'
p22248
sS'CPD-18545'
p22249
S'C(=O)([O-])C(=O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p22250
sS'CPD-18544'
p22251
S'C(C(C(O)C(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p22252
sS'CPD-18547'
p22253
S'C([O-])(=O)C1(CNC2(=CC=CC=C(N=1)2))'
p22254
sS'CPD-18546'
p22255
S'C(NC1(=C(N)C=CC=C1))C(=O)C(=O)[O-]'
p22256
sS'CPD-14862'
p22257
S'COC1(=C(O)C(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p22258
sS'CPD-18896'
p22259
S'CCC5(=C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C=O)=C(N78)C=9))))))'
p22260
sS'CPD-14860'
p22261
S'COC1(=CC(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p22262
sS'CPD-14861'
p22263
S'COC3(C(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p22264
sS'CPD-14866'
p22265
S'C1(C=C(O)C(O)=CC=1C2(OC3(C(C(=O)C=2[O-])=C(O)C(O)=C(O)C=3)))'
p22266
sS'CPD-14643'
p22267
S'CC1(C)(CCC2(C(=O)[O-])(C(=C1)[CH]5(C(C)(CC2)C4(C)(CC[CH]3(C(C)(C)C(=O)CCC(C)3[CH]4CC5)))))'
p22268
sS'CPD-14864'
p22269
S'COC2(C(=CC=C(OC)C(OC1(C(C(C(O)C(O1)CO)O)O))=2)C3(OC4(C(C(=O)C=3OC)=C(O)C(OC)=C(OC)C=4)))'
p22270
sS'CPD-14641'
p22271
S'C=CCC=CCC=CCCCCCCCC1(C=C(O)C=CC=1)'
p22272
sS'CPD-9583'
p22273
S'CC(C(NC(CC2(C1(=C(C=C(C=C1)O)NC=2)))=O)C([O-])=O)C'
p22274
sS'CPD-617'
p22275
S'CC(=O)CC(CC(C([O-])=O)=O)=O'
p22276
sS'PNP-PROPIONATE'
p22277
S'CCC(=O)OC1(C=CC([N+]([O-])=O)=CC=1)'
p22278
sS'HISTIDINAL'
p22279
S'C1(NC=NC=1CC([CH]=O)[N+])'
p22280
sS'G3P'
p22281
S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p22282
sS'CPD-13079'
p22283
S'C1(C=C(O)C=CC=1NC2(C=C(Cl)C([O-])=C(Cl)C=2))'
p22284
sS'CPD-8464'
p22285
S'CCCCCCCCC=CCCCCCCCCCCCCCCCCC[CH]=O'
p22286
sS'CPD-10324'
p22287
S'C1(N)(=NC(N)=C(Cl)N=C(C(N=C(N)N)=O)1)'
p22288
sS'3-B-D-GALACTOSYL-SN-GLYCEROL'
p22289
S'C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)CO'
p22290
sS'CPD-18765'
p22291
S'C(=O)(NC1(C(=O)CCC(O)=1))C=CC=CC=CC3(=CC(NC(=O)C=CC=CC=CC2(CCCCC2))=C(O)C=C3)'
p22292
sS'CPD-18764'
p22293
S'C(=O)(NC1(C(=O)CCC(O)=1))C=CC=CC=CC3(O)(C=C(NC(=O)C=CC=CC=CC2(CCCCC2))C(=O)C4(OC34))'
p22294
sS'CPD-18095'
p22295
S'C6(C(C5([O+]=C2(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=CC([O-])=C2)=CC(OC4(OC(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))4)CO))=5)))=CC(O)=C(O)C(O)=6)'
p22296
sS'CPD-18766'
p22297
S'C(=O)(NC1(C(=O)CCC(O)=1))C=CC=CC=CC3(O)(C=C(NC(=O)C=CC=CC=CC2(CCCCC2))C(=O)C=C3)'
p22298
sS'CPD-18761'
p22299
S'COC1(=CC(=CCCO)C=CC(=O)1)'
p22300
sS'CPD-18760'
p22301
S'CC1(C%11(O[CH]9([CH]1C8(C)([CH]([CH]7([CH](C6(C)([CH](CC(OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC2(OCC(O)C(O)C(O)2))C(OC3(OC(CO)C(O)C(O)C(O)3))4))C(O)C(O)5))CC6)CC7))CC8))C9)))(C(OC(=O)C)CC(OC%10(C(C(C(O)C(O%10)CO)O)O))CN%11))'
p22302
sS'CPD-18763'
p22303
S'CC9(CCC1(O[CH]8([CH](C(C)1)C7(C)([CH]([CH]6([CH](C5(C)([CH](CC(OC4(OC(CO)C(OC3(OC(CO)C(O)C(OC2(OCC(O)C(O)C(O)2))C(O)3))C(O)C(O)4))CC5)CC6))CC7))C8)))(NC9))'
p22304
sS'CPD-18762'
p22305
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C(C1(C=CC=CC=1[N+](=C(C)2)[O-]))=O)'
p22306
sS'CPD-18769'
p22307
S'CCCCC(C)C=C(C)C(=O)NC2(=CC(C=CC=CC=CC(=O)NC1(C(=O)CCC(O)=1))(C3(OC(C2=O)3))O)'
p22308
sS'CPD-18768'
p22309
S'CCCCC(C)C=C(C)C=C(C)C(=O)NC2(=CC(C=CC=CC=CC(=O)NC1(C(=O)CCC(O)=1))(C3(OC(C2=O)3))O)'
p22310
sS'CPD-18099'
p22311
S'C1(C=C(O)C=CC=1C=CC(=O)OCC6(OC(OC3(C(=[O+]C2(C(=C([O-])C=C([O-])C=2)C=3))C4(=CC=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))'
p22312
sS'CPD-18098'
p22313
S'C1(C=C(O)C(O)=CC=1C=CC(=O)OCC5(OC(OC3(C(=[O+]C2(C(=C([O-])C=C([O-])C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(O)C(O)C(O)5))'
p22314
sS'CPD-3061'
p22315
S'C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)'
p22316
sS'CPD-10189'
p22317
S'C([N+]CC(=O)[O-])C(=O)[O-]'
p22318
sS'CPD-10188'
p22319
S'C(C([O-])=O)N(CC([O-])=O)CC([O-])=O'
p22320
sS'DI-H-URACIL'
p22321
S'C1(NC(CCN1)=O)=O'
p22322
sS'CPD-16418'
p22323
S'C(O)C1(C(C(O)C(C(O1)OC2(C(C(CO)OC(CO)2OC4(C(C(C(C(COC3(C(C(C(C(CO)O3)O)O)O))O4)O)O)O))O))O)O)'
p22324
sS'CPD-10180'
p22325
S'C1(C=CC2(C(=O)C3(C=CC=CC(C(=O)C(C=1)=2)=3)))'
p22326
sS'CPD-10183'
p22327
S'C1(C([N+]([O-])=O)=CC=C(OS(=O)(=O)[O-])C=1)'
p22328
sS'CPD-10185'
p22329
S'COP(=O)(OC=C(Cl)Cl)OC'
p22330
sS'CoM'
p22331
S'C(CS)S(=O)(=O)[O-]'
p22332
sS'SB+5'
p22333
S'[Sb+++++]'
p22334
sS'CPD-15110'
p22335
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(N=[N+]=[N-])C(CO)O2))'
p22336
sS'PREGNENOLONE'
p22337
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p22338
sS'CPD-15117'
p22339
S'C([N+])(C([O-])=O)C(O)C(N)=O'
p22340
sS'CPD-17149'
p22341
S'CCC(CC(C)C(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=C(O)C=2)))C'
p22342
sS'CPD-15119'
p22343
S'C2(C(C([O-])=O)=C1(C3(NC(C(=O)[O-])=CC(C(=C(C1=NC=2C(=O)[O-])O)O)=3)))'
p22344
sS'CPD-15118'
p22345
S'C(C2(C(C(C(N1(C(N=C(N=C1)N)=O))O2)O)O))O'
p22346
sS'CPD-17418'
p22347
S'C(O)CC4(C(=O)C(O)C(O)C(OP([O-])(=O)OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3))))O4)'
p22348
sS'CPD-17419'
p22349
S'C(O)CC4(C(O)C(O)C(O)C(OP([O-])(=O)OP([O-])(=O)OCC1(C(O)C(O)C(O1)N2(C=NC3(=C2N=C(N)NC(=O)3))))O4)'
p22350
sS'CPD-16947'
p22351
S'CCC(C)(C)C(=O)OC2(CC(O)C=C1(C=CC(C)C(CCC(CC(O)CC([O-])=O)O)[CH]12))'
p22352
sS'10-OXODECANOATE'
p22353
S'C(CCCCCCCCC([O-])=O)=O'
p22354
sS'CPD-9968'
p22355
S'CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C)C'
p22356
sS'CPD-9969'
p22357
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2)))C)C)C'
p22358
sS'7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID-GLUCO'
p22359
S'C(O)C1(C(O)C(O)C(C(O1)OC3(=CC=CC2(=C(NC(C(CC(=O)[O-])2)=O)3)))O)'
p22360
sS'CPD-2461'
p22361
S'CC(CC([O-])=O)C([O-])=O'
p22362
sS'CPD-9961'
p22363
S'CC1(C23(C(C(O)C1)=C(C)C(C)(C)C(C2)CC3))'
p22364
sS'CPD-9962'
p22365
S'CC1(C23(C(C(=O)C1)=C(C)C(C)(C)C(C2)CC3))'
p22366
sS'CPD-4483'
p22367
S'CC(=CC=O)CO'
p22368
sS'CPD-9965'
p22369
S'CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p22370
sS'CPD-4584'
p22371
S'O=[V]([O-])([O-])[O-]'
p22372
sS'CPD-710'
p22373
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p22374
sS'CPD-611'
p22375
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p22376
sS'CPD-12587'
p22377
S'CC(C)=CCCC(C)=CCCC(C)=CCOP([O-])([O-])=O'
p22378
sS'CPD-4589'
p22379
S'COC4(C5(OC1(=C(C(OC)=CC2(OC3(OC=CC(C1=2)3)))C(=O)C(C(O)=CC=4)=5)))'
p22380
sS'CPD-12585'
p22381
S'CC(C)=CCCC(=CCCC(C)=CC(=O)[O-])C'
p22382
sS'CPD-12856'
p22383
S'C2(O)(C(O)C(O)C(OP([O-])(OC1(C(O)C(O)C(O)C(OP([O-])([O-])=O)C(O)1))=O)C(O)C(O)2)'
p22384
sS'CPD-12583'
p22385
S'CC(=O)NC4(C(OC3(C(O)C(O)C(OC2(C(NC(C)=O)C(OC1(C(O)C(O)C(O)OC(C([O-])=O)1))OC(CO)C(O)2))OC(C([O-])=O)3))OC(CO)C(O)C4O)'
p22386
sS'CPD-12582'
p22387
S'C([N+])CCCC(C(=O)NC(CO)C(=O)[O-])NC(=O)C1(C=CC=C(O)C(O)=1)'
p22388
sS'CPD-12853'
p22389
S'CC(C)=CCCC(C)[CH]3(CC=C4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p22390
sS'CPD-12580'
p22391
S'C(OC(=O)CC(O)(C(=O)[O-])CC(=O)NCCC(C([O-])=O)[N+])CN1(C(C([O-])=O)(O)CCC(=O)1)'
p22392
sS'CPD-12589'
p22393
S'C(=O)(NCCCC(NC(=O)CC(C(=O)[O-])(O)CC(=O)[O-])C(=O)[O-])CC(O)(C([O-])=O)CC(=O)[O-]'
p22394
sS'CPD-12588'
p22395
S'CCCCCC(=O)C1(=C(O)C2(=C(C=C([O-])1)CC3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p22396
sS'CPD-7610'
p22397
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(CO)C)O)C))))C'
p22398
sS'CPD-7612'
p22399
S'CC4(C)(C[CH]3(C2(=CC[CH]1(C6(C)([CH](CCC(C)1C(C)2CCC(C)3C(O)C4)C(C)(CO)C(OC5(OC(C(=O)[O-])C(O)C(O)C(O)5))CC6)))))'
p22400
sS'CPD-2221'
p22401
S'CC(=NC)C(O)C1(=CC=CC=C1)'
p22402
sS'CPD-7614'
p22403
S'C(C2(=CC=CC1(=C(C=CC=C1)2)))=O'
p22404
sS'CPD-7615'
p22405
S'C(C2(=CC=CC1(=C(C=CC=C1)2)))(=O)[O-]'
p22406
sS'CPD-7616'
p22407
S'C(C1(C=C(C(=CC=1)O)O))=O'
p22408
sS'CPD-9217'
p22409
S'CC1(C[N+]2(C3(CC4(C(C)(C(C(C)C(CC1)2)3)CCC5(C4CC=C6(C(C)5CCC(O)C6))))))'
p22410
sS'CPD-7618'
p22411
S'CC(=CCCC(=CC(=O)[O-])C)C'
p22412
sS'CPD-7619'
p22413
S'CCCCCCC(=O)[O-]'
p22414
sS'3-DEAZAADENINE'
p22415
S'C2(NC1(=C(C(=[N+]C=C1)N)N=2))'
p22416
sS'CPD-18621'
p22417
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C4(C=CC(=CC=4)O))=O)([O-])=O'
p22418
sS'CPD-12252'
p22419
S'CCCC(O)C(=O)O'
p22420
sS'CPD-9212'
p22421
S'CC1(CCC6(N(C1)C7(CC5(C8(CC=C4(CC(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)3))CCC(C)4C(CCC(C)5C(C(C)6)7)8))))))'
p22422
sS'CYTOSINE'
p22423
S'C1(NC(=O)N=C(N)C=1)'
p22424
sS'ISOORIENTIN'
p22425
S'C1(C=C(C(=CC=1C4(=CC(C2(=C(C=C(C(=C2O)C3(C(C(C(C(CO)O3)O)O)O))[O-])O4))=O))O)O)'
p22426
sS'CPD-9502'
p22427
S'CC1(=CC(=CC(=C1)OC)OC)'
p22428
sS'CPD-12628'
p22429
S'C(O)C2(OC(OC1(C(=CC=CC=1)C(=O)[O-]))C(O)C(O)C(O)2)'
p22430
sS'CPD-9500'
p22431
S'COC1(C=C(C=C(C=1)OC)OC)'
p22432
sS'CPD-9501'
p22433
S'CC1(C=C(C=C(C=1)OC)O)'
p22434
sS'CPD-12629'
p22435
S'C(O)C2(OC(OC(C1(C=CC=CC=1O))=O)C(O)C(O)C(O)2)'
p22436
sS'BENZYL-ALCOHOL'
p22437
S'C(C1(C=CC=CC=1))O'
p22438
sS'B-ALANINE'
p22439
S'C(C[N+])C([O-])=O'
p22440
sS'ADENOSINE5TRIPHOSPHO5ADENOSINE'
p22441
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23))))C4(OC(C(O)C(O)4)N6(C=NC5(C(N)=NC=NC=56)))'
p22442
sS'CPD-13983'
p22443
S'CC1(C(C=CC=CCC(C)OC(CC(C(C(C(CC=O)C1)OC2(C(C(C(C(C)O2)OC3(CC(C)(C(C(C)O3)O)O))[N+](C)C)O))OC)O)=O)OC4(CCC(C(C)O4)[N+](C)C))'
p22444
sS'CPD-13985'
p22445
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C(O)C3)))'
p22446
sS'CPD-13987'
p22447
S'CC1(C(=O)NC(=O)N(C=1)C2(OC(C(O)C2)COP([O-])(=O)OP([O-])(=O)OC3(OC(C)C(=O)C(O)(C)C3)))'
p22448
sS'2-2-METHYLTHIOETHYLMALIC-ACID'
p22449
S'CSCCC(CC([O-])=O)(O)C(=O)[O-]'
p22450
sS'CARBOXYL-GROUP'
p22451
S'C(=O)[O-]'
p22452
sS'S-TETRAHYDROBERBERINE'
p22453
S'C2(CC1(=CC5(OCOC(C=C1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4)))=5)))'
p22454
sS'CPD-15902'
p22455
S'CC(=C(C)NC(C)=O)NC(C)=O'
p22456
sS'CPD-9218'
p22457
S'CC2(C)(C(C(=O)[O-])N1(C(C(C1S2)NC(C(C(=O)[O-])C3(C=CC=CC=3))=O)=O))'
p22458
sS'INDOXYL'
p22459
S'C2(C=CC1(=C(C(O)=CN1)C=2))'
p22460
sS'CPD-15903'
p22461
S'CC(C(C)=O)NC(C)=O'
p22462
sS'CPD-12621'
p22463
S'C(O)C3(OC(OC(=O)CCCC1(C2(=C(NC=1)C=CC=C2)))C(O)C(O)C(O)3)'
p22464
sS'CPD-15900'
p22465
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(O)CCCC1=O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22466
sS'CPD-885'
p22467
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CC(O)CC(CO)([CH](CC2)3)4)C=O))C([O-])=O)))'
p22468
sS'CPD-884'
p22469
S'C(CCCCC(=O)[O-])[N+]'
p22470
sS'CPD-883'
p22471
S'C1(NC(=O)CCCC1)'
p22472
sS'CPD-882'
p22473
S'CC(C=CC1(=C(CCCC(C)(C)1)C))=CC=CC(=CCO)C'
p22474
sS'CPD-881'
p22475
S'CC(C=CC1(=C(CCCC1(C)C)C))=CC=CC(=CC=O)C'
p22476
sS'5-O-INDOL-3-YLACETYL-MYO-ETCETERA'
p22477
S'C3(C=CC4(NC=C(CC(=O)OC2(C(O)C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(C=3)=4))'
p22478
sS'CPD-15906'
p22479
S'CC(C)=CC(O)CC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1N(C(C)=2)O))=O)'
p22480
sS'CPD-17713'
p22481
S'C(O)C1(OC(O)C(NS(=O)(=O)[O-])C(O)C1OC2(C(OS([O-])(=O)=O)C(O)C=C(C([O-])=O)O2))'
p22482
sS'CPD-15907'
p22483
S'CC1(=CC(O)=C2(C(=N1)C=CC=C2))'
p22484
sS'CPD-17096'
p22485
S'CC(C)CC6(C(N7(C1(=CC=CC=C1C(CC4(C5(=NC2(=CC=CC=C2C(N(C3(=CC=CC=C3C(N4)=O))5)=O))))([CH](N6)7)O)))=O)'
p22486
sS'CPD-15904'
p22487
S'CC(C(C)O)NC(C)=O'
p22488
sS'CPD-9333'
p22489
S'CC(CCCCCCCC(NCC1(=CC(=C(C=C1)O)OC))=O)C'
p22490
sS'CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE'
p22491
S'CC5(OC(OCC4(OC(OC2(=CC3(C([O-])=CC(O)=CC([O+]=C(C1(=CC=C(O)C(O)=C1))2)=3)))C(O)C(O)C(O)4))C(O)C(O)C(O)5)'
p22492
sS'CARNOSINE'
p22493
S'C(CC(=O)NC(CC1(=CNC=N1))C([O-])=O)[N+]'
p22494
sS'CPD-15905'
p22495
S'CC(C(C)O)[N+]'
p22496
sS'PENTAN-2-ONE'
p22497
S'CCCC(=O)C'
p22498
sS'CPD-13676'
p22499
S'CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(=O)CCC(C)1[CH]2CC(=O)C(C)34)))))CCC(=O)[O-]'
p22500
sS'CPD-13677'
p22501
S'CC([CH]3(CC[CH]4([CH]2(C(=O)C[CH]1(CC(O)CCC(C)1[CH]2CC(=O)C(C)34)))))CCC(=O)[O-]'
p22502
sS'CPD-17095'
p22503
S'C(NC(N)=[N+])CCC(=[N+])C([O-])=O'
p22504
sS'CPD-13670'
p22505
S'CC1(C(CCC2(C3(C(CCC12)(C4(C(=CC(=O)3)C5(C(CC4)(CCC(C5)(CO)C)C))C)C))C)O)C'
p22506
sS'CPD-13679'
p22507
S'CC(C)CCCC(C)[CH]2(CC[CH]3([CH]4(CCC1(=CC(=O)C=CC(C)1[CH](CCC(C)23)4))))'
p22508
sS'6C-Glc-2-hydroxyeriodictyol'
p22509
S'C1(C=C(O)C(O)=CC=1C(=O)CC(=O)C3(=C(O)C=C([O-])C(C2(C(C(C(O)C(O2)CO)O)O))=C(O)3))'
p22510
sS'CPD-16008'
p22511
S'C5(=[N+](C1(OC(C(C1O)O)COP(OP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)(=O)[O-]))C=C(C=C5)C(=O)N)'
p22512
sS'CPD-16004'
p22513
S'CCCC=CC=CCCCCCCCCCO'
p22514
sS'CPD-16002'
p22515
S'CCCC=CC=CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p22516
sS'CPD-16003'
p22517
S'CCCC=CC=CCCCCCCCCC([O-])=O'
p22518
sS'CPD-16001'
p22519
S'CCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p22520
sS'CPD-17351'
p22521
S'CCCCCC=CCC=CCCCCCCCCCC(=O)[a'
p22522
sS'CPD-17350'
p22523
S'CCCCCC=CCC=CCCCCC=CCCCC(=O)[O-]'
p22524
sS'CPD-17601'
p22525
S'COC3(=CC=C(CC2(C(CC1(=CC(=C(C=C1)O)OC))COC2=O))C=C3OC)'
p22526
sS'CPD-17600'
p22527
S'COC1(=C(C=C(C=C1)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)=O))OC)'
p22528
sS'CPD-17607'
p22529
S'C=CC(C=CC1(C=CC(O)=CC=1))C2(C=CC(O)=CC=2)'
p22530
sS'CPD-17357'
p22531
S'C=CC(C)(C)C2(=C(C1(=CC=C(O)C(CC=C(C)C)=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p22532
sS'CPD-17604'
p22533
S'C=C[CH](C1(C=CC(O)=CC=1))C=CC2(=CC=C(O)C=C2)'
p22534
sS'CPD-8237'
p22535
S'CC2(CCC(C1(C(C)(C)CCC=1))(CC=2)C)'
p22536
sS'CPD66-45'
p22537
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1(C(O)C(O)C(O)C(O)C(O)1))OC(=O)CCCCCCCCCCCCCCC'
p22538
sS'CPD66-46'
p22539
S'CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1(C(O)C(O)C(OP([O-])(=O)[O-])C(O)C(O)1))OC(=O)CCCCCCCCCCCCCCC'
p22540
sS'CPD-3662'
p22541
S'C1(C=CC2(C(=O)N(C(=O)C(C=1)=2)C(CCC(=O)[O-])C(=O)[O-]))'
p22542
sS'CPD66-40'
p22543
S'CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O'
p22544
sS'DIMETHYLMAL-CPD'
p22545
S'CC(=C(C)C(=O)[O-])C(=O)[O-]'
p22546
sS'2K-4CH3-PENTANOATE'
p22547
S'CC(C)CC(C([O-])=O)=O'
p22548
sS'CPD66-43'
p22549
S'CCCCCCCCCCCCCCCC(=O)OC(CO)CO'
p22550
sS'CPD-13511'
p22551
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)O))'
p22552
sS'CPD-13510'
p22553
S'COC4(C=C(OC1(OC(CO)C(O)C(O)C(O)1))C3(C(=O)CC(C2(C=CC(O)=CC=2))OC=3C=4))'
p22554
sS'CPD-13517'
p22555
S'C(N)(=N)N'
p22556
sS'CPD-13516'
p22557
S'CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(OC(C(O)C(O)C([N+])2)CO))'
p22558
sS'CPD-13518'
p22559
S'C(NC(NO)=[N+])CCC([N+])C([O-])=O'
p22560
sS'2-METHYL-3-HYDROXY-BUTYRYL-COA'
p22561
S'CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C(C)O'
p22562
sS'16-HYDROXYTABERSONINE'
p22563
S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(O)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p22564
sS'CPD-5442'
p22565
S'CN2(C3(N=C(N=C(NCC1(=CC=CC=C1))C(N=C2)=3)NCCO))'
p22566
sS'CPD-5441'
p22567
S'C[N+](CCOP([O-])([O-])=O)C'
p22568
sS'3-OXO-5-BETA-CHOLANATE'
p22569
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p22570
sS'CPD-1281'
p22571
S'CC(OP([O-])(=O)[O-])C(NC(CCCCCCS)=O)C(=O)[O-]'
p22572
sS'CPD-1282'
p22573
S'CC(C(NC(CCCCCCSSCCS(=O)(=O)[O-])=O)C(=O)[O-])OP([O-])(=O)[O-]'
p22574
sS'UDP-L-ARA4-FORMYL-N'
p22575
S'C3(OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(O)C(O)C3N[CH]=O)'
p22576
sS'CPD-8369'
p22577
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCC=CCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p22578
sS'CPD-8368'
p22579
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p22580
sS'CPD-8365'
p22581
S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC(O)CO)=O'
p22582
sS'CPD-8364'
p22583
S'CCCCCCCCCCCCC=CCC(=O)OC(CO)COP(OCC(CO)O)([O-])=O'
p22584
sS'CPD-8367'
p22585
S'CCC=CCC=CCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC(O)CO)=O'
p22586
sS'CPD-8366'
p22587
S'CCCCCC=CCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC(O)CO)=O'
p22588
sS'CPD-8363'
p22589
S'CCCCCCCCCCCCCCCC(=O)OC(CO)COP(OCC(CO)O)([O-])=O'
p22590
sS'CPD-18816'
p22591
S'CCCCCCCCCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCCCCCCCCC)=O'
p22592
sS'SUBSTITUTED-AMINE'
p22593
S'N[R]'
p22594
sS'--TRANS-ACENAPHTHENE-12-DIOL'
p22595
S'C2(C=C1(C=CC=C3(C1=C(C=2)C(C3O)O)))'
p22596
sS'DICHLOROETHENE'
p22597
S'[CH](Cl)=[CH]Cl'
p22598
sS'CELLOTRIOSE'
p22599
S'C(O)C1(C(O)C(C(O)C(O1)OC3(C(OC(OC2(C(OC(O)C(C2O)O)CO))C(C3O)O)CO))O)'
p22600
sS'PHOSPHONATE'
p22601
S'O=[PH]([O-])[O-]'
p22602
sS'ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE'
p22603
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p22604
sS'CPD-8077'
p22605
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p22606
sS'CPD-10372'
p22607
S'CCC(C)C1(C(NC(CO)C(N3(CC(C)CC(C(NC(C=NC(C(NCC(NC(CCC(N)=O)C(N1)=O)=O)=O)CC2(C=CC(=CC=2)O))CC(C)C)=O)3))=O)=O)'
p22608
sS'CPD-10373'
p22609
S'CCC(C)C1(C(NC(CO)C(N4(CC(C)CC(C(NC(C=NC(C(NCC(NC(CCC(N)=O)C(N1)=O)=O)=O)CC2(C=CC(=CC=2)O))CC3(C=CC=CC=3))=O)4))=O)=O)'
p22610
sS'CPD-10370'
p22611
S'CCCC(NC(C(C)C)C(NC2(COC(C4(CCCN(C(C(CC1(C=CC(=CC=1)O))NC(C(CC(N)=O)NC(CNC(C(CC(C)C)NC(CC(C(CC(C)C)NC(C3(CC(C)CN(C2=O)3))=O)=O)=O)=O)=O)=O)=O)4))=O))=O)=O'
p22612
sS'ISOCHORISMATE'
p22613
S'C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)'
p22614
sS'CPD-10376'
p22615
S'C=CCC(OC)CCC(C)=CC=CCCC=CC2(CSC(C1(CC(C)1))=N2)'
p22616
sS'CPD-10377'
p22617
S'C=CCC(CCC(C)=CC=CCCC=CC2(CSC(C1(CC(C)1))=N2))OC'
p22618
sS'CPD-10374'
p22619
S'CCC(C)C1(C(NC(CO)C(N4(CC(C)CC(C(NC(C=NC(C(NCC(NC(CCC(N)=O)C(N1)=O)=O)=O)CC2(C=CC(=CC=2)O))CC3(C=CC(C)=CC=3))=O)4))=O)=O)'
p22620
sS'CPD-10375'
p22621
S'CC(C(Cl)(Cl)Cl)CC(=CC(N(C)C(C1(=NC=CS1))CC2(C=CC=CC=2))=O)OC'
p22622
sS'CPD-10378'
p22623
S'CCC(C)C(C(N2(C(C(NCCCCN=C(N)N)=O)CC1(CCC(CC12)OS(=O)(=O)O)))=O)NC(C(CC3(C=CC(=CC=3)O))O)=O'
p22624
sS'CPD-10379'
p22625
S'CN3(C1(=CC(C=CC1=NC2(C(C(=O)[O-])=CC=CC=23))=N))'
p22626
sS'CPD-16911'
p22627
S'CC1(C2(=C(C=CC=1)C(=C(O)C=C2)C(=O)[O-]))'
p22628
sS'CPD-16912'
p22629
S'CC7(=CC(=CC1(C(=CC=C(C=1C(=O)OC4(C=C3(C#CC6([CH]2(COC(=O)O2))([CH](C#CC=C3C4OC5(OC(C)C(O)C(O)C(NC)5))O6))))O)7))OC)'
p22630
sS'CHLORDECONE-ALCOHOL'
p22631
S'C1(O)(C3(Cl)(C5(Cl)(C4(Cl)(C(Cl)(Cl)C2(Cl)(C(Cl)(C(Cl)1C(Cl)2C(Cl)34)5)))))'
p22632
sS'ZOLEDRONATE'
p22633
S'C1(=CN(C=N1)CC(O)(P(=O)([O-])O)P(=O)([O-])O)'
p22634
sS'CPD-12201'
p22635
S'C4(C=CC(C3(C=CC2(C=CC=C1(C=C([O-])C(=O)C(C1=2)=3))))=CC=4)'
p22636
sS'CPD-12202'
p22637
S'C2(C=CC(C=CC=CC(=O)CCC1(C=CC(O)=C(O)C=1))=CC=2)'
p22638
sS'CPD-12203'
p22639
S'C4(C=CC(C3(=CC=C2(C(C=CC1(=CC(O)=C(O)C(=C12)3))=O)))=CC=4)'
p22640
sS'CPD-12204'
p22641
S'C2(C=CC(C=CC=CC(CCC1(C=CC(=O)C(=O)C=1))=O)=CC=2)'
p22642
sS'CPD-12205'
p22643
S'C2(=CC=C(C=CC=CC(CCC1(=CC=C(C=C1)O))=O)C=C2)'
p22644
sS'CPD-12207'
p22645
S'C1(=CC=C(C=C1)C=CC(CC(=O)C=CC2(C=CC(O)=CC=2))=O)'
p22646
sS'CPD-12208'
p22647
S'C1(C=C(O)C=CC=1C=CC(=O)CC([O-])=O)'
p22648
sS'CPD-12209'
p22649
S'COC1(C(=O)C2(C4(C(C=1)=CC=CC(C=CC=2C3(C=CC=CC=3))=4)))'
p22650
sS'CPD-8689'
p22651
S'CC(=CC=CC=C(C=CC=C(C(=O)OC3(C(OC1(C(C(C(C(CO)O1)O)O)O))C(O)C(O)C(COC2(OC(CO)C(O)C(C(O)2)O))O3))C)C)C=CC=C(C(OC4(OC(CO)C(O)C(O)C(O)4))=O)C'
p22652
sS'OCTADEC-9-ENE-118-DIOIC-ACID'
p22653
S'C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-]'
p22654
sS'CPD-8178'
p22655
S'C=CC5(C(C)=C6(C=C1(C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(=N1)C3(C(C(OC)=O)C(=O)C2(=C(C)C(NC2=3)=CC4(C(CC)=C([CH]=O)C(N=4)=CC=5N6))))))'
p22656
sS'4-SULFOBENZALDEHYDE'
p22657
S'C(C1(C=CC(S([O-])(=O)=O)=CC=1))=O'
p22658
sS'CPD-10861'
p22659
S'CC1(C(Cl)C([O-])=O)(OC(=O)C(Cl)=C1)'
p22660
sS'CPD-4081'
p22661
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p22662
sS'CPD-10514'
p22663
S'CCCCCCCCC1(C(CCCCCCCC(=O)[O-])O1)'
p22664
sS'CPD-10515'
p22665
S'CCCCCCCCC(O)C(O)CCCCCCCC([O-])=O'
p22666
sS'CPD-10512'
p22667
S'C(=O)CCCCCCCCCCCCCCC(=O)[O-]'
p22668
sS'2-BUTYNE-14-DIOL'
p22669
S'C(O)C#CCO'
p22670
sS'CPD-10510'
p22671
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=C3)OC))'
p22672
sS'CPD-10511'
p22673
S'C(=O)([O-])CCCCCCCCCCCCCCC(=O)[O-]'
p22674
sS'S-BENZYLSUCCINYL-COA'
p22675
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22676
sS'L-OCTANOYLCARNITINE'
p22677
S'CCCCCCCC(OC(C[N+](C)(C)C)CC(=O)[O-])=O'
p22678
sS'CPD-14989'
p22679
S'C(OC4(C(O)C(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))OC(C(O)4)CO))(=O)C=CC5(C=CC(O)=CC=5)'
p22680
sS'CPD-14988'
p22681
S'C(OC4(C(O)C(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))OC(C(O)4)CO))(=O)C=CC5(C=CC(O)=CC=5)'
p22682
sS'CPD-18958'
p22683
S'CCO[CH]=O'
p22684
sS'CPD-18959'
p22685
S'[CH](=O)OC'
p22686
sS'CPD-14985'
p22687
S'COC6(C=C(C=CC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(OC)C(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))=O)C=CC(O)=6)'
p22688
sS'CPD-14984'
p22689
S'C(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))(=O)C=CC6(C=CC(O)=CC=6)'
p22690
sS'CPD-18954'
p22691
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)COC(C)C)=1)'
p22692
sS'CPD-18955'
p22693
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)CO)=1)'
p22694
sS'CPD-14981'
p22695
S'COC5(C=C(C=CC(OCC4(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=C(OC)C(O)=CC=2))=3)))C(O)C(O)C(O)4))=O)C=CC(O)=5)'
p22696
sS'CPD-14980'
p22697
S'COC1(=CC(=CC=C(O)1)C2(OC5(C(C(=O)C=2OC3(OC(C(O)C(O)C(O)3)COC(=O)C=CC4(C=CC(O)=CC=4)))=C(O)C=C(O)C=5)))'
p22698
sS'CPD-14983'
p22699
S'COC6(C=C(C=CC(OCC5(OC(OC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3)))C(O)C(OC(=O)C=CC4(C=CC(O)=CC=4))C(O)5))=O)C=CC(O)=6)'
p22700
sS'CPD-18951'
p22701
S'CCCOCCN(C(=O)CCl)C1(=C(CC)C=CC=C(C)1)'
p22702
sS'CPD-394'
p22703
S'C[N+]CCCC[N+]'
p22704
sS'CPD-392'
p22705
S'CC2(NC1(C=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p22706
sS'CPD-12192'
p22707
S'CCC=CCCC(O)CC=CCCCCCCCC(=O)[O-]'
p22708
sS'GAMMA-PENTACHLOROCYCLOHEXANE'
p22709
S'C1(=C(C(C(Cl)C(Cl)C1Cl)Cl)Cl)'
p22710
sS'BORATE'
p22711
S'B(O)(O)O'
p22712
sS'CPD-7968'
p22713
S'CC(C=CC=C(C=CC=O)C)=CC=CC=C(C=CC=C(C=CC=O)C)C'
p22714
sS'UDP-OHMYR-ACETYLGLUCOSAMINE'
p22715
S'CCCCCCCCCCCC(CC(OC3(C(C(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))OC(C3O)CO)NC(=O)C))=O)O'
p22716
sS'UDP-MURNAC-TETRAPEPTIDE'
p22717
S'CC(NC(=O)C(C)OC3(C(O)C(CO)OC(OP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2)))C(NC(C)=O)3))C(=O)NC(CCC(=O)NC(CCCC([N+])C(=O)[O-])C(=O)NC(C)C(=O)[O-])C(=O)[O-]'
p22718
sS'CPD-14185'
p22719
S'C(O)C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(O)C(OC1(C(O)C(O)C(CO)O1))2))O3)'
p22720
sS'CPD-14187'
p22721
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC4(C(OC2(OC(C(C2O)OC3(OC(CO)C(O)C(O)C3[N+]))CO))C(C([N+])CC([N+])4)O))'
p22722
sS'HOMO-CYS'
p22723
S'C(C(CCS)[N+])(=O)[O-]'
p22724
sS'CPD0-2009'
p22725
S'[Mo++++++]'
p22726
sS'CPD-14189'
p22727
S'C(O)C3(C(O)C(O)C([N+])C(OC2(C([N+])CC([N+])C(O)C(OC1(C(O)C(O)C(COP(=O)([O-])[O-])O1))2))O3)'
p22728
sS'CPD-14188'
p22729
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC4(C(OC2(OC(C(C2O)OC3(OC(C=O)C(O)C(O)C3[N+]))CO))C(C([N+])CC([N+])4)O))'
p22730
sS'CPD-15859'
p22731
S'CCCCCC=CCC=CC(O)[CH]1(O[CH]1CC=CCCCC(=O)[O-])'
p22732
sS'DETHIOBIOTIN'
p22733
S'CC1(NC(=O)NC1CCCCCC(=O)[O-])'
p22734
sS'PYRIDOXINE'
p22735
S'CC1(=NC=C(C(=C1O)CO)CO)'
p22736
sS'CPD-15850'
p22737
S'CCCCCC(OO)C=CC=CCC=CCC=CCCCC(=O)[O-]'
p22738
sS'CPD-15851'
p22739
S'CCCCCC=CCC(=O)C=CC=CCC=CCCCC(=O)[O-]'
p22740
sS'CPD-15852'
p22741
S'CCCCCC=CCC(OO)C=CC=CCC=CCCCC(=O)[O-]'
p22742
sS'CPD-15854'
p22743
S'CCCCCC=CCC=CC=CC(OO)CC=CCCCC(=O)[O-]'
p22744
sS'CPD-15855'
p22745
S'CCCCCC=CCC=CC=CC(=O)CC=CCCCC(=O)[O-]'
p22746
sS'L-ARABITOL'
p22747
S'C(C(C(C(CO)O)O)O)O'
p22748
sS'MO+2'
p22749
S'[Mo++]'
p22750
sS'CPD-14329'
p22751
S'CC(C=CC1(=C(CC(O)CC1(C)C)C))=CC=CC(=CC=O)C'
p22752
sS'CPD-14459'
p22753
S'CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p22754
sS'CPD-14458'
p22755
S'CCN(CC)C(=O)C1(CN(C)[CH]2(CC4(=CNC3(=CC=CC(C(=C1)2)=C34))))'
p22756
sS'CPD-18372'
p22757
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC[N+])=O'
p22758
sS'CPD-14320'
p22759
S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p22760
sS'CPD-18370'
p22761
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)OCC[N+])=O'
p22762
sS'CPD-18371'
p22763
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC1(C(C1)CCCCCC))COP([O-])(=O)OCC[N+])=O'
p22764
sS'CPD-14457'
p22765
S'CC(CO)NC(=O)C1(CN(C)[CH]2(CC3(=CNC4(=CC=CC(C(=C1)2)=C34))))'
p22766
sS'CPD-14324'
p22767
S'C2(O)(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC(O)=C5)))))'
p22768
sS'CPD-14455'
p22769
S'C2(OC3(=C(C=C(OC1(C(C(C(O)C(O1)CO)O)O))2)C=CC(O)=C3))(=O)'
p22770
sS'CPD-14454'
p22771
S'C2(OC3(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=C2)=CC=C(O)C=3))(=O)'
p22772
sS'D1-PIPERIDINE-DICARBOXYLATE'
p22773
S'C1(CC(C([O-])=O)[N+]C(C([O-])=O)C1)'
p22774
sS'CPD-17988'
p22775
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC(NC(=O)C(CCCC([N+])C([O-])=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R1])C(O)C(NC(=O)C)1))C3(COC(C(NC(=O)C)2)O3)))C([O-])=O)C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC5(C(OC4(OC(CO)C(O[R2])C(O)C(NC(=O)C)4))C(CO)OC(O[R3])C(NC(=O)C)5)'
p22776
sS'CPD-17989'
p22777
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O[R1])C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C5(COC(C(NC(=O)C)4)O5))'
p22778
sS'VITEXIN'
p22779
S'C(C4(C(C(C(C(C1(=C(C=C(C2(=C1OC(=CC2=O)C3(C=CC(=CC=3)O)))O)[O-]))O4)O)O)O))O'
p22780
sS'CPD-17985'
p22781
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCCC([N+])C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R])C(O)C(NC(C)=O)1))C3(COC(C(NC(=O)C)2)O3))'
p22782
sS'CPD-17986'
p22783
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)[O-])=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R])C(O)C(NC(C)=O)1))C3(COC(C(NC(=O)C)2)O3))'
p22784
sS'CPD-17987'
p22785
S'CC(C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C([O-])=O)NC(=O)C(C)OC2(C(OC1(OC(CO)C(O[R])C(O)C(NC(=O)C)1))C3(COC(C(NC(=O)C)2)O3))'
p22786
sS'CPD-17980'
p22787
S'CCCCCC(OO)C=CC2(C1(OOC(C1)C2CC=CCCCC(=O)[O-]))'
p22788
sS'CPD-17981'
p22789
S'CCCCCCCCC([N+])C([O-])=O'
p22790
sS'CPD-15589'
p22791
S'CC1(OC(O)C(O)C(O)C(O)1)'
p22792
sS'CPD-15586'
p22793
S'C([O-])(=O)C([N+])C(O)C(O)C(O)COP([O-])(=O)[O-]'
p22794
sS'CPD-15584'
p22795
S'C(#N)C1(CC1)'
p22796
sS'CPD-15585'
p22797
S'C=C(C)C(=O)N'
p22798
sS'CPD-15582'
p22799
S'C(#N)C1(=CC=CC=C1)'
p22800
sS'CPD-13863'
p22801
S'CC3(CCC(O)C1(C)([CH]([CH]2(C(C)(C)[CH](CC1)2))3))'
p22802
sS'CPD-13862'
p22803
S'CC(C)C2(C1(C(CCC(C)=C1)C(=C)CC2))'
p22804
sS'CPD-13861'
p22805
S'CC(C)C1(CC=C(C)C2(C1CC(O)(C)CC2))'
p22806
sS'CPD-13860'
p22807
S'CC(C)C3([CH]1(C2(C1C(O)(C)CC2)C(C)CC3))'
p22808
sS'CPD-13867'
p22809
S'CC(C2(CCC(O)(C)[CH]1([CH](C=C(CC1)C)2)))C'
p22810
sS'CPD-2189'
p22811
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p22812
sS'CPD-13864'
p22813
S'CC1([CH]2([CH]3(C(C)(C)[CH](CCC(O)(C)[CH](CC1)2)3)))'
p22814
sS'CPD-13869'
p22815
S'C=CC1(C)(C=C2(CC[CH]3(C(C)(C)CCCC(C)([CH](CC1)2)3)))'
p22816
sS'CPD-13868'
p22817
S'C=CC(C)=CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p22818
sS'CPD-15520'
p22819
S'C1(C[CH]2(CC(=O)N(C=1)2))'
p22820
sS'VIGABATRIN'
p22821
S'C=CC(CCC(=O)[O-])[N+]'
p22822
sS'CPD-8958'
p22823
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))OC)'
p22824
sS'CPD-8959'
p22825
S'COC1(C=C(C=C(OC)C(OC)=1)C4([CH]5([CH](C(O)C3(=C(C=C2(OCOC2=C3))4))COC(=O)5)))'
p22826
sS'CPD-8952'
p22827
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C6(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C3(C=C(O)C(O)=C(O)C=3))C(OC(=O)C5(=CC(OC(C4(C=C(O)C(O)=C(O)C=4))=O)=C(O)C(O)=C5))6)OC(C7(C=C(O)C(O)=C(O)C=7))=O)'
p22828
sS'CPD-8953'
p22829
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C6(OC(C(OC(C3(=CC(O)=C(O)C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)=C3))=O)C(OC(=O)C4(C=C(O)C(O)=C(O)C=4))C(OC(=O)C5(=CC(O)=C(O)C(O)=C5))6)OC(C7(C=C(O)C(O)=C(O)C=7))=O)'
p22830
sS'CPD-8681'
p22831
S'CCCCCC=CC=C1(C(CCCCCCCC([O-])=O)O1)'
p22832
sS'CPD-8951'
p22833
S'CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[N+])O)O)O'
p22834
sS'OLEATE-CPD'
p22835
S'CCCCCCCCC=CCCCCCCCC([O-])=O'
p22836
sS'CPD-8957'
p22837
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C7(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C5(C=C(OC(C4(=CC(O)=C(O)C(OC(C3(C=C(O)C(O)=C(O)C=3))=O)=C4))=O)C(O)=C(O)C=5))C(OC(=O)C6(=CC(O)=C(O)C(O)=C6))7)OC(C8(C=C(O)C(O)=C(O)C=8))=O)'
p22838
sS'CPD-8954'
p22839
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C6(OC(C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)C(OC(=O)C4(C=C(OC(C3(C=C(O)C(O)=C(O)C=3))=O)C(O)=C(O)C=4))C(OC(=O)C5(=CC(O)=C(O)C(O)=C5))6)OC(C7(C=C(O)C(O)=C(O)C=7))=O)'
p22840
sS'CPD-8955'
p22841
S'C(OC(C1(=CC(O)=C(O)C(O)=C1))=O)C7(OC(C(OC(C3(=CC(O)=C(O)C(OC(C2(C=C(O)C(O)=C(O)C=2))=O)=C3))=O)C(OC(=O)C5(C=C(OC(C4(C=C(O)C(O)=C(O)C=4))=O)C(O)=C(O)C=5))C(OC(=O)C6(=CC(O)=C(O)C(O)=C6))7)OC(C8(C=C(O)C(O)=C(O)C=8))=O)'
p22842
sS'NI+2'
p22843
S'[Ni++]'
p22844
sS'ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA'
p22845
S'CC(=O)NC2(C(CC(C([O-])=O)(OCC1(C(O)C(O)C(O)C(O1)O[R]))O[CH]2C(O)C(O)CO)O)'
p22846
sS'CPD-15050'
p22847
S'COC1(C2(=C(C=C(C=1)[O-])[O+]=C(C(=C2)[O-])C3(C=C(O)C(=C(OC)C=3)O)))'
p22848
sS'CPD0-1117'
p22849
S'C1(=C(CC=CN1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(=O)NC=NC=34))))C(O)C(O)5))C(N)=O)'
p22850
sS'DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE'
p22851
S'C(OP(=O)([O-])[O-])C(O)C(O)CC(=O)C([O-])=O'
p22852
sS'CPD-15052'
p22853
S'COC1(C=C(C=CC=1O)C2(C(=CC3(C([O-])=CC(O)=CC([O+]=2)=3))[O-]))'
p22854
sS'CPD-6082'
p22855
S'C(CC[N+])=O'
p22856
sS'CPD0-1115'
p22857
S'C(O)C(O)C(O)C(=O)COP([O-])(=O)[O-]'
p22858
sS'CPD-15055'
p22859
S'COC3(=C1(C(C=CO1)=C(O)C2(C=CC(=O)OC=23)))'
p22860
sS'CPD-15328'
p22861
S'C([N+])CCCC([N+]C(CCC1(=CC=CC=C1))C(=O)[O-])C(=O)N2(CCCC2C([O-])=O)'
p22862
sS'CPD-12449'
p22863
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22864
sS'CPD0-1624'
p22865
S'[Al-](F)(F)(F)F'
p22866
sS'CPD0-1625'
p22867
S'C[N+](C)=C3(C=CC2(=NC1(C(=CC(N(C)C)=CC=1)SC2=C3)))'
p22868
sS'CPD0-1626'
p22869
S'CC(=O)NC1(=NN=C(S(=O)(=O)N)S1)'
p22870
sS'CPD0-1627'
p22871
S'C(=[N+]=N)C(=O)CCC(C([O-])=O)[N+]'
p22872
sS'CPD-15322'
p22873
S'C(=O)([O-])C([N+])CCC1(C=CC=CC=1)'
p22874
sS'CPD-15323'
p22875
S'C(=O)([O-])CC(O)(C([O-])=O)CC1(C=CC=CC=1)'
p22876
sS'CPD-15321'
p22877
S'C(ONC(N)=O)C([N+])C(=O)[O-]'
p22878
sS'CPD-15326'
p22879
S'C(=O)([O-])C(=O)CCC1(C=CC=CC=1)'
p22880
sS'CPD-15327'
p22881
S'CC(C)CC(C(=O)C1(C)(CO1))NC(=O)C(CC2(C=CC=CC=2))NC(=O)C(CC(C)C)NC(=O)C(CCC3(C=CC=CC=3))NC(=O)CN4(CCOCC4)'
p22882
sS'CPD-15324'
p22883
S'C([O-])(=O)C(C(O)C(=O)[O-])CC1(C=CC=CC=1)'
p22884
sS'CPD-15325'
p22885
S'C([O-])(=O)C(C(=O)C(=O)[O-])CC1(C=CC=CC=1)'
p22886
sS'CPD-11021'
p22887
S'CN1(C=CN=C1)'
p22888
sS'SEMICARBAZIDE'
p22889
S'C(N)(=O)NN'
p22890
sS'CPD-503'
p22891
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22892
sS'CPD-501'
p22893
S'C([O-])(=O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p22894
sS'CPD-506'
p22895
S'C1(O)(C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p22896
sS'CPD-507'
p22897
S'C(O)C1(OC(C(C(C1OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O))O)O)O)'
p22898
sS'CPD-505'
p22899
S'C1(O)(C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])1)'
p22900
sS'PARAOXON'
p22901
S'CCOP(OC1(C=CC(=CC=1)[N+]([O-])=O))(OCC)=O'
p22902
sS'CPD-9195'
p22903
S'CC2(C)(C(C(=O)[O-])N1(C(C(C1S2)NC(C(C3(C=CC=CC=3))[N+])=O)=O))'
p22904
sS'CPD-9194'
p22905
S'CC1(CC(O)C2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p22906
sS'CPD-9197'
p22907
S'C1(C=CC(=CC=1)C2(C=CN=C3(C4(C(C=CC=23)=C(C=CN=4)C5(C=CC=CC=5)))))'
p22908
sS'CPD-9196'
p22909
S'CC2(C)(C(C(=O)[O-])N1(C(C([CH]1S2)NC(COC3(C=CC=CC=3))=O)=O))'
p22910
sS'CPD-9190'
p22911
S'C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p22912
sS'CPD-9192'
p22913
S'C3(C=CC2(C(=O)C(=O)C1(=CC=CC=C1C2C=3)))'
p22914
sS'CPD1G-83'
p22915
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(O)C(O)C(O)3)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)'
p22916
sS'CPD-7422'
p22917
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC=C1C)(C)C))C)C)C)C)C)C'
p22918
sS'CPD-7421'
p22919
S'CC(=CC=CC=C(C)C=CC=C(C)C=CC1(C(C)(C)CC(C=C(C)1)O))C=CC=C(C)C=CC2(C(C)(C)CCCC(C)=2)'
p22920
sS'CPD-7420'
p22921
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(CC=1C)O)(C)C))C)C)C)C)C)C'
p22922
sS'CPD-7425'
p22923
S'CC4(C(C3(CC9%10(C(C(CCC(=O)[O-])C7(=[N+]([Ni--]26([N+]1(=C5(C(C(C1CC(=[N+]23)4)CC(=O)[O-])CCC(C5=C8(N6C(=C7)C(C(CCC(=O)[O-])8)CC([O-])=O))=O))))9))(CC(=O)N%10)C)))CCC([O-])=O)(CC(=O)N)'
p22924
sS'CPD-7424'
p22925
S'CC(C=CC=C(C)[CH]=C=C1(C(O)(C)CC(O)CC(C)(C)1))=CC=CC=C(C)C=CC=C(C)C=CC23(C(C)(C)CC(O)CC(C)(O2)3)'
p22926
sS'2-HEXAPRENYL-3-METHYL-5-HYDROXY-6-METHOX'
p22927
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=C(C(O)=C1C)O)O))C)C)C)C)C)C'
p22928
sS'CPD-16749'
p22929
S'COC1(C=CC(=CC=1OC)C2(C4(=CC5(=C(C(OC)=C(C(C3(C2C(OC3)=O))O)4)OCO5))))'
p22930
sS'CPD-16748'
p22931
S'COC1(C=CC(=CC=1OC)C2(C5(=CC6(=C(C(OC)=C(C(C3(C2C(OC3)=O))OC4(C(C(C(O)C(O4)CO)O)O))5)OCO6))))'
p22932
sS'CPD1G-833'
p22933
S'CCCCCCCCCCCCCCCCCCCCCCCCCC(C(C(=O)OCC3(C(C(C(C(OC2(C(C(C(C(COC(C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))O)=O)O2)O)O)O))O3)O)O)O))CCCCCCCCCCC4(CC(CCCCCCCCCCCCCCCCCC)4))O'
p22934
sS'CPD-16745'
p22935
S'CC(C)=CCC6(=C(CC=C(C)C)C=C5(C(C4(=C(C3(C)(C2(C)(C(O)(C1(=CC(=O)[CH](O[CH]1CC2)C(O)(C)C))CC[CH]3C4)))N5))=C6))'
p22936
sS'CPD-16744'
p22937
S'CC(O)(C)[CH]1(O[CH]2(C(=CC(=O)1)C3(O)(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p22938
sS'CPD-16747'
p22939
S'COC1(=C(C(=CC(=C1)C2(C5(=CC6(=C(C(OC)=C(C(C3(C2C(OC3)=O))OC4(C(C(C(O)C(O4)CO)O)O))5)OCO6))))OC)OC)'
p22940
sS'CPD-16746'
p22941
S'COC1(=C(C(=CC(=C1)C2(C5(=CC6(=C(C=C(C(C3(C2C(OC3)=O))OC4(C(C(C(O)C(O4)CO)O)O))5)OCO6))))OC)OC)'
p22942
sS'CPD-1142'
p22943
S'C(O)C1(=C(C=CC=C1)OC2(OC(CO)C(O)C(O)C(O)2))'
p22944
sS'CPD-16740'
p22945
S'CC1(OC1CCC2(C)([CH](O)CCC3(C)([CH]2CC[CH]4(C(C)3C5(=C(C4)C6(=C(N5)C=CC=C6))))))(C)'
p22946
sS'CPD-16743'
p22947
S'CC(O)(C)C1(O[CH]2(C(=CC(=O)1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)CC5(=C4NC6(=C5C=CC=C6))))))'
p22948
sS'CPD0-1647'
p22949
S'C([N+])C(O)[CH]1(OC(C([O-])=O)CC(O)C(O)1)'
p22950
sS'CPD-9771'
p22951
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1([N+](CCC1)C))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22952
sS'CPD-9773'
p22953
S'C[N+]1(CCCC1CC(CC(OC)=O)=O)'
p22954
sS'CPD-7248'
p22955
S'CCCCCCCCCCC1(C(C(=C(OC)C(C(C)=1)=O)OC)=O)'
p22956
sS'CPD-9775'
p22957
S'CN1([CH]2(CC(=O)C(C(OC)=O)[CH]1CC2))'
p22958
sS'CPD-9774'
p22959
S'C[N+]1(C(O)CCC1CC(CC(OC)=O)=O)'
p22960
sS'CPD-9777'
p22961
S'C[N+]1([CH]2(CC(O)C(C(OC)=O)[CH]1CC2))'
p22962
sS'CPD-9776'
p22963
S'C[N+]2([CH]3(CC(OC(C1(C=CC=CC=1))=O)C(C(OC)=O)[CH]2CC3))'
p22964
sS'CPD-9779'
p22965
S'C[N+]1(CCCC1CC(CC([O-])=O)=O)'
p22966
sS'CPD-12054'
p22967
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%86(OC(CO)C(OC%85(OC(C)C(OC%84(C(O)C(O)C(C(OC%83(C(O)C(O)C(C(O)COC%82(C(O)C(O)C(C(OC%81(C(O)C(O)C(C(OC%18(C(O)C(O)C(COC%17(C(O)C(O)C(COC%16(C(O)C(O)C(COC%15(C(O)C(O)C(COC%14(C(O)C(O)C(COC%13(C(O)C(O)C(COC%12(C(O)C(O)C(COC%11(C(O)C(O)C(COC%10(C(O)C(O)C(COC9(C(O)C(O)C(COC8(C(O)C(O)C(COC7(C(O)C(O)C(COC6(C(O)C(O)C(COC5(C(O)C(O)C(COC4(C(O)C(O)C(COC3(C(O)C(O)C(COC2(C(O)C(O)C(COC1(C(O)C(O)C(CO)O1))O2))O3))O4))O5))O6))O7))O8))O9))O%10))O%11))O%12))O%13))O%14))O%15))O%16))O%17))O%18))COC%80(C(O)C(O)C(C(OC%79(C(O)C(O)C(C(OC%36(C(O)C(O)C(COC%35(C(O)C(O)C(COC%34(C(O)C(O)C(COC%33(C(O)C(O)C(COC%32(C(O)C(O)C(COC%31(C(O)C(O)C(COC%30(C(O)C(O)C(COC%29(C(O)C(O)C(COC%28(C(O)C(O)C(COC%27(C(O)C(O)C(COC%26(C(O)C(O)C(COC%25(C(O)C(O)C(COC%24(C(O)C(O)C(COC%23(C(O)C(O)C(COC%22(C(O)C(O)C(COC%21(C(O)C(O)C(COC%20(C(O)C(O)C(COC%19(C(O)C(O)C(CO)O%19))O%20))O%21))O%22))O%23))O%24))O%25))O%26))O%27))O%28))O%29))O%30))O%31))O%32))O%33))O%34))O%35))O%36))COC%78(C(O)C(O)C(C(OC%77(C(O)C(O)C(C(OC%54(C(O)C(O)C(COC%53(C(O)C(O)C(COC%52(C(O)C(O)C(COC%51(C(O)C(O)C(COC%50(C(O)C(O)C(COC%49(C(O)C(O)C(COC%48(C(O)C(O)C(COC%47(C(O)C(O)C(COC%46(C(O)C(O)C(COC%45(C(O)C(O)C(COC%44(C(O)C(O)C(COC%43(C(O)C(O)C(COC%42(C(O)C(O)C(COC%41(C(O)C(O)C(COC%40(C(O)C(O)C(COC%39(C(O)C(O)C(COC%38(C(O)C(O)C(COC%37(C(O)C(O)C(CO)O%37))O%38))O%39))O%40))O%41))O%42))O%43))O%44))O%45))O%46))O%47))O%48))O%49))O%50))O%51))O%52))O%53))O%54))COC%76(C(O)C(O)C(C(OC%75(C(O)C(O)C(C(O)COC%74(C(O)C(O)C(C(OC%73(=C([O-])C(O)C(C(O)COC%72(C(O)C(O)C(C(OC%71(C(O)C(O)C(C(O)COC%70(C(O)C(O)C(C(OC%69(C(O)C(O)C(C(O)COC%68(C(O)C(O)C(C(OC%67(C(O)C(O)C(C(O)COC%66(C(O)C(O)C(C(OC%65(C(O)C(O)C(C(O)COC%64(C(O)C(O)C(C(OC%63(C(O)C(O)C(C(O)COC%62(C(O)C(O)C(C(OC%61(C(O)C(O)C(C(O)COC%60(C(O)C(O)C(C(OC%59(C(O)C(O)C(C(O)COC%58(C(O)C(O)C(C(OC%57(C(O)C(O)C(C(O)COC%56(C(O)C(O)C(C(OC%55(C(O)C(O)C(C(O)CO)O%55))CO)O%56))O%57))CO)O%58))O%59))CO)O%60))O%61))CO)O%62))O%63))CO)O%64))O%65))CO)O%66))O%67))CO)O%68))O%69))CO)O%70))O%71))CO)O%72))O%73))CO)O%74))O%75))CO)O%76))O%77))CO)O%78))O%79))CO)O%80))O%81))CO)O%82))O%83))CO)O%84))C(O)C(O)%85))C(O)C(NC(C)=O)%86))C'
p22968
sS'S-2-INDOL-3-YLACETYL-COA'
p22969
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC1(=CNC2(C1=CC=CC=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p22970
sS'CPD-12051'
p22971
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%65(OC(CO)C(OC%64(OC(C)C(OC%63(C(O)C(O)C(C(OC%62(C(O)C(O)C(C(O)COC%61(C(O)C(O)C(C(OC%60(C(O)C(O)C(C(OC%11(C(O)C(O)C(COC%10(C(O)C(O)C(COC9(C(O)C(O)C(COC8(C(O)C(O)C(COC7(C(O)C(OC1(C(O)C(O)C(CO)O1))C(COC6(C(O)C(O)C(COC5(C(O)C(O)C(COC4(C(O)C(O)C(COC3(C(O)C(O)C(COC2(C(O)C(O)C(CO)O2))O3))O4))O5))O6))O7))O8))O9))O%10))O%11))COC%59(C(O)C(O)C(C(OC%58(C(O)C(O)C(C(OC%22(C(O)C(O)C(COC%21(C(O)C(O)C(COC%20(C(O)C(O)C(COC%19(C(O)C(O)C(COC%18(C(O)C(OC%12(C(O)C(O)C(CO)O%12))C(COC%17(C(O)C(O)C(COC%16(C(O)C(O)C(COC%15(C(O)C(O)C(COC%14(C(O)C(O)C(COC%13(C(O)C(O)C(CO)O%13))O%14))O%15))O%16))O%17))O%18))O%19))O%20))O%21))O%22))COC%57(C(O)C(O)C(C(OC%56(C(O)C(O)C(C(OC%33(C(O)C(O)C(COC%32(C(O)C(O)C(COC%31(C(O)C(O)C(COC%30(C(O)C(O)C(COC%29(C(O)C(OC%23(C(O)C(O)C(CO)O%23))C(COC%28(C(O)C(O)C(COC%27(C(O)C(O)C(COC%26(C(O)C(O)C(COC%25(C(O)C(O)C(COC%24(C(O)C(O)C(CO)O%24))O%25))O%26))O%27))O%28))O%29))O%30))O%31))O%32))O%33))COC%55(C(O)C(O)C(C(OC%54(C(O)C(O)C(C(O)COC%53(C(O)C(O)C(C(OC%52(=C([O-])C(O)C(C(O)COC%51(C(O)C(O)C(C(OC%50(C(O)C(O)C(C(O)COC%49(C(O)C(O)C(C(OC%48(C(O)C(O)C(C(O)COC%47(C(O)C(O)C(C(OC%46(C(O)C(O)C(C(O)COC%45(C(O)C(O)C(C(OC%44(C(O)C(O)C(C(O)COC%43(C(O)C(O)C(C(OC%42(C(O)C(O)C(C(O)COC%41(C(O)C(O)C(C(OC%40(C(O)C(O)C(C(O)COC%39(C(O)C(O)C(C(OC%38(C(O)C(O)C(C(O)COC%37(C(O)C(O)C(C(OC%36(C(O)C(O)C(C(O)COC%35(C(O)C(O)C(C(OC%34(C(O)C(O)C(C(O)CO)O%34))CO)O%35))O%36))CO)O%37))O%38))CO)O%39))O%40))CO)O%41))O%42))CO)O%43))O%44))CO)O%45))O%46))CO)O%47))O%48))CO)O%49))O%50))CO)O%51))O%52))CO)O%53))O%54))CO)O%55))O%56))CO)O%57))O%58))CO)O%59))O%60))CO)O%61))O%62))CO)O%63))C(O)C(O)%64))C(O)C(NC(C)=O)%65))C'
p22972
sS'CPD-12050'
p22973
S'CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC%32(OC(CO)C(OC%31(OC(C)C(OC%30(C(O)C(O)C(C(OC%29(C(O)C(O)C(C(O)COC%28(C(O)C(O)C(C(OC%27(C(O)C(O)C(C(O)COC%26(C(O)C(O)C(C(OC%25(C(O)C(O)C(C(O)COC%24(C(O)C(O)C(C(OC%23(C(O)C(O)C(C(O)COC%22(C(O)C(O)C(C(OC%21(C(O)C(O)C(C(O)COC%20(C(O)C(O)C(C(OC%19(C(O)C(O)C(C(O)COC%18(C(O)C(O)C(C(OC%17(C(O)C(O)C(C(O)COC%16(C(O)C(O)C(C(OC%15(C(O)C(O)C(C(O)COC%14(C(O)C(O)C(C(OC%13(C(O)C(O)C(C(O)COC%12(C(O)C(O)C(C(OC%11(C(O)C(O)C(C(O)COC%10(C(O)C(O)C(C(OC9(C(O)C(O)C(C(O)COC8(C(O)C(O)C(C(OC7(C(O)C(O)C(C(O)COC6(C(O)C(O)C(C(OC5(C(O)C(O)C(C(O)COC4(C(O)C(O)C(C(OC3(C(O)C(O)C(C(O)COC2(C(O)C(O)C(C(OC1(C(O)C(O)C(C(O)CO)O1))CO)O2))O3))CO)O4))O5))CO)O6))O7))CO)O8))O9))CO)O%10))O%11))CO)O%12))O%13))CO)O%14))O%15))CO)O%16))O%17))CO)O%18))O%19))CO)O%20))O%21))CO)O%22))O%23))CO)O%24))O%25))CO)O%26))O%27))CO)O%28))O%29))CO)O%30))C(O)C(O)%31))C(O)C(NC(C)=O)%32))C'
p22974
sS'CPD-12053'
p22975
S'COC2(=CC1(=C(C(CCN)=CN1)C=C2))'
p22976
sS'1-2DHFLUORENE'
p22977
S'C2(=CC=C3(C1(C=CC(O)=C(C=1CC(=C2)3)O)))'
p22978
sS'CPD-7243'
p22979
S'CC(CCC=C(C)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)[CH]4(CC[CH]5(C(C)4C(O)C[CH]6([CH]5C(O)C[CH]7(C(C)6CCC(O)C7))))'
p22980
sS'CPD-7242'
p22981
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(C1(C=CC=CC=1))=O)=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]'
p22982
sS'4-NITROPHENYL-3-KETOVALIDAMINE'
p22983
S'C(C1(C(C(C(C(C1)NC2(C=CC(=CC=2)[N+]([O-])=O))O)=O)O))O'
p22984
sS'ERGOSTA-ETCETERA-BETA-DIOL'
p22985
S'CC(C)C(C)C=CC(C)C2(CCC1(C3(=CCC4(O)(CC(O)CCC(C)(C(CCC(C)12)3)4))))'
p22986
sS'CPD-17667'
p22987
S'CC3(=C1(C(NC2(C1=CC=CC=2))=C(C4(C3=CN=CC=4))C))'
p22988
sS'GERMANICOL'
p22989
S'CC2(CCC1(CCC3([CH](C1=C2)CC[CH]4(C3(CC[CH]5(C4(CCC(C5(C)C)O)C))C))C)C)C'
p22990
sS'CPD-7244'
p22991
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(=O)C(=O)2))'
p22992
sS'O-PHENANTHROLINE'
p22993
S'C2(C=CC3(C=CC1(C=CC=NC=1C(N=2)=3)))'
p22994
sS'LUTEOLIN-7-O-BETA-D-GLUCOSIDE'
p22995
S'C1(C=C(O)C(O)=CC=1C2(=CC(=O)C3(C(O)=CC(=CC(O2)=3)OC4(OC(CO)C(O)C(O)C(O)4))))'
p22996
sS'CPD-15801'
p22997
S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)OC)))'
p22998
sS'CPD-15800'
p22999
S'COC3(=C(OC)C=CC(CC1(NC=CC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p23000
sS'MYCOTHIONE'
p23001
S'CC(=O)NC(C(NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(CO)C(O)C(O)2))=O)CSSCC(NC(=O)C)C(NC4(C(O)C(O)C(CO)OC(OC3(C(O)C(O)C(O)C(O)C(O)3))4))=O'
p23002
sS'CPD-8991'
p23003
S'C2(C=CC(C1(C=C(O)C=C(O)C=1))=CC=2)'
p23004
sS'CPD-984'
p23005
S'CC1(C(O)=NC(=C(C=1)O)O)'
p23006
sS'DIVINYL-PROTOCHLOROPHYLLIDE-A'
p23007
S'C=CC2(C(C)=C4(C=C9(C(C)=C(CCC(=O)[O-])C5(=N([Mg]36(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C7(C(C)=C8(C(=O)[C-](C(OC)=O)C5=C(N67)8)))))9))))'
p23008
sS'CPD-3687'
p23009
S'CCCCCCC([N+])C(=O)[O-]'
p23010
sS'INDOLE-3-ACETYL-BETA-6-D-GLUCOSE'
p23011
S'C3(=C(CC(OCC1(OC(C(O)C(C(O)1)O)O))=O)C2(C(=CC=CC=2)N3))'
p23012
sS'2-AMINOPHENOL'
p23013
S'C1(C=C(N)C(=CC=1)O)'
p23014
sS'CPD-17168'
p23015
S'CC(C)CC([N+])C(=O)NC(CCN(C)C(=[N+])N)CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2))'
p23016
sS'CPD-17169'
p23017
S'CC(C)CC([N+])C(=O)NC(CCNC(=[N+])N)CC(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2))'
p23018
sS'CPD-17995'
p23019
S'CC=C(C)C=C(C)C=CC=C(C)C=CC(C2(C)(C(=O)C(CC1(C=CC(O)=CC=1))NC(=O)2))=O'
p23020
sS'CPD-18504'
p23021
S'CC(C)CC(=O)OC2(CC1(COC(=O)C)(C4(C(O)C(O)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p23022
sS'CPD-17162'
p23023
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C([N+])C(O)C(O)1))2)=O)'
p23024
sS'CPD-17163'
p23025
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C([N+])C=C1))2)=O)'
p23026
sS'CPD-17160'
p23027
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(O)C(O)C(O)1))2)=O)'
p23028
sS'CPD-17161'
p23029
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(=O)C(O)C(O)1))2)=O)'
p23030
sS'CPD-17166'
p23031
S'CC(CCNC(=[N+])N)C([N+])C(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2))'
p23032
sS'CPD-17167'
p23033
S'CC=C(C(NC(C(=O)[O-])CO)=O)NC(C2(CCCN(C(C1(CCCCN(C(C(C(C)[N+])NC(C(C(C)CCNC(N)=[N+])[N+])=O)=O)1))=O)2))=O'
p23034
sS'CPD-17164'
p23035
S'CC(C)CC([N+])C(=O)NC(C(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2)))C(C)CCN(C)C(=[N+])N'
p23036
sS'CPD-17165'
p23037
S'CC(C)CC([N+])C(=O)NC(C(=O)NC1(C=CC(OC(C(=O)[O-])1)N2(C(=O)N=C(N)C=C2)))C(C)CCNC(=[N+])N'
p23038
sS'CPDMETA-13652'
p23039
S'CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(CO)3)C(C4)5)OC(=O)C))6)))))'
p23040
sS'CPDMETA-13651'
p23041
S'CC3(N5(C2(C1(=NC6(=CC=CC=C(C41(C(C(C(C2)C(C=O)3)C(C4)5)OC(=O)C))6)))))'
p23042
sS'CPD-18506'
p23043
S'CCC(=O)OC2(CC1(COC(=O)C)(C4(C(OC(=O)C)C(O)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p23044
sS'CPD-13577'
p23045
S'CC1(=NC(=C(CNC=O)C=N1)N)'
p23046
sS'111-TRICHLOROETHANE'
p23047
S'CC(Cl)(Cl)Cl'
p23048
sS'4-CHLOROPHENYLACETONITRILE'
p23049
S'C(#N)CC1(C=CC(Cl)=CC=1)'
p23050
sS'CPD-10742'
p23051
S'CC(NC2(C(OP(OP(OCC(C=O)OC(C=O)N1(C=CC(NC1=O)=O))([O-])=O)([O-])=O)OC(C(C2O)O)CO))=O'
p23052
sS'CPD-10741'
p23053
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OCC([N+])C([O-])=O)([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p23054
sS'CPD-10740'
p23055
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOCC(COP(OP([O-])(=O)OCC2(C(O)C(O)C(N1(C=CC(N)=NC(=O)1))O2))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C'
p23056
sS'5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA'
p23057
S'CCCCCC(O)C=CC1(C(O)C[CH]2([CH]1CC(=CCCCC(=O)[O-])O2))'
p23058
sS'CPD-10749'
p23059
S'C(=O)([O-])CCCCCC(CC([O-])=O)(C([O-])=O)O'
p23060
sS'CPD-18502'
p23061
S'CC2(C(O)CC1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p23062
sS'PHENANTHRENE-RING'
p23063
S'C1(C=C2(C=CC3(=C(C(=CC=1)2)C=CC=C3)))'
p23064
sS'CPD-14840'
p23065
S'C1(C=C9(OCOC(=CC=1C2(OCC3(C(OCC23)C7(=CC8(OCOC(C=C(OC4(C(C(C(O)C(O4)COC5(C(C(C(O)C(O5)CO)O)O))O)OC6(C(C(C(O)C(O6)CO)O)O)))7)=8)))))9))'
p23066
sS'CPD-14841'
p23067
S'C1(C=C9(OCOC(=CC=1C2(OCC3(C(OCC23)C7(=CC8(OCOC(C=C(OC4(C(C(C(O)C(O4)COC5(C(C(C(O)C(O5)COC6(C(C(C(O)C(O6)CO)O)O))O)O))O)O))7)=8)))))9))'
p23068
sS'CPD-11830'
p23069
S'COC1(C=C(CC(=O)C(=O)[O-])C=CC(O)=1)'
p23070
sS'CPD-11831'
p23071
S'COC1(C=C(CC(O)C(=O)[O-])C=CC(O)=1)'
p23072
sS'CPD-14660'
p23073
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2C=C4(C(O)3C(C)(C)CCC4))))'
p23074
sS'CPD-14845'
p23075
S'CC3(C1(C(CCC([O-])=O)=C(C)C(C)(N=1)CC2([N+]=C(C(C)(CC([O-])=O)C=2CCC([O-])=O)C=C5(C(C(C([CH]4(C(C(CCC([O-])=O)(C)C3=N4)CC([O-])=O))(C)N5)(C)CC([O-])=O)CCC(=O)[O-]))))'
p23076
sS'CPD-18561'
p23077
S'C1(=CC3(=C(C=C1)N=C2(C(C=CC=C(O)2)=N3)))'
p23078
sS'CPD-14847'
p23079
S'C1(C=C(O)C=CC=1C4(OC5(C=C(O)C=C(O)C(C(=O)C(OC3(OC(COC2(OC(CO)C(O)C(O)C(O)2))C(O)C(O)C(O)3))=4)=5)))'
p23080
sS'CPD-14848'
p23081
S'C(O)C5(C(O)C(O)C(O)C(OCC4(C(O)C(O)C(O)C(OC3(=CC2(OC=C(C1(C=CC(O)=CC=1))C(=O)C=2C(O)=C3)))O4))O5)'
p23082
sS'CPD-14849'
p23083
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(O)C(O)C(CO)OC2OC3(C(C5(=C(OC=3C4(C=CC(O)=C(O)C=4))C=C(O)C=C(O)5))=O)))'
p23084
sS'CPD-11839'
p23085
S'CC(C(CC(C(C2(C3(CCC4(C1(CCC(C[CH]1C(CC(C(CC2)3)4)=O)O)C))(C)))C)OS(=O)([O-])=O)C)C'
p23086
sS'CPD-18569'
p23087
S'CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C([O-])=O'
p23088
sS'CPD-18568'
p23089
S'CCCCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)C([O-])=O'
p23090
sS'CPD-15158'
p23091
S'C(C2(C(C(O)C(N1(C(N=C(C(O)=C1)N)=O))O2)O))OP([O-])([O-])=O'
p23092
sS'CPD-13092'
p23093
S'CCC=CCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p23094
sS'CPD-13093'
p23095
S'CCC(O)C(O)CC=CCC=CCCCCCCCC(=O)[O-]'
p23096
sS'QUINATE'
p23097
S'C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)'
p23098
sS'CPD-13091'
p23099
S'CCC1(OC1CC=CCC=CCCCCCCCC(=O)[O-])'
p23100
sS'CPD-13097'
p23101
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(NC=N2)=O)C(=C3)C#N)))'
p23102
sS'CPD-13094'
p23103
S'CCC=CCC=CCC(O)C(O)CCCCCCCC(=O)[O-]'
p23104
sS'CPD-13095'
p23105
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(NC(=N2)N)=O)C(=C3)C#N)))'
p23106
sS'CARBOXY-ARABINITOL-PP'
p23107
S'C(=O)([O-])C(COP([O-])([O-])=O)(C(C(O)COP([O-])([O-])=O)=O)O'
p23108
sS'BETAINE_ALDEHYDE'
p23109
S'C[N+](C)(C[CH]=O)C'
p23110
sS'CPD-13098'
p23111
S'C(CCCCCCCCCCCCCCCCCCCCC([O-])=O)=O'
p23112
sS'CPD-13099'
p23113
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)NC(C(=O)[O-])CC(=O)[O-])C(=C3)C#N)))'
p23114
sS'CPD-12945'
p23115
S'CC(=O)OC1(C(C)(O)C(OC(C)=O)C(O)C2(=C1[C-](C#N)C3(=C2C(=O)C4(=C(C(=O)3)C(O)=CC=C4))))'
p23116
sS'CPD-8440'
p23117
S'CCCCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p23118
sS'CPD-7415'
p23119
S'CC(C=CC=C(C)C=CC1(C(C)(C)CCC=C(C)1))=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)=CC(CC(C)(C)2)O)'
p23120
sS'CPD-3041'
p23121
S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p23122
sS'ADENOSINE-5-CARBOXAMIDE'
p23123
S'C1(N=C2(C(=C(N=1)N)N=CN2C3(C(C(C(O3)C(=O)N)O)O)))'
p23124
sS'CPD-14310'
p23125
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)C1(CC=C(C)CC=1)'
p23126
sS'CPD-18324'
p23127
S'CC4(=C(C)C=C3(N2(C%12(OC(CO)C(OP(=O)(O[CH](C)CNC(=O)CCC1(C)(C(CC(=O)N)[CH]%11(C8(C)(C(CC(=O)N)(C)C(CCC(=O)N)C7(C(C)=C%10(C(CC(=O)N)(C)C(CCC(=O)N)C9(C=C6(C(C)(C)C(CCC(=O)N)C5(C(C)=C1[N-]([Co+++]([O-]N=O)(N(=C2)C3=C4)(N=56)(N=78)N=9%10)%11)))))))))[O-])C(O)%12))))'
p23128
sS'2-HYDROXYCYCLOHEXAN-1-ONE'
p23129
S'C1(CCC(=O)C(C1)O)'
p23130
sS'CPD-14312'
p23131
S'CC(C3(=CCC2(C1([CH](C(CCC1)(C)C)CCC=2C3)C)))C'
p23132
sS'CPD-11712'
p23133
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=CC(O)=C1))C)C'
p23134
sS'CPD-15137'
p23135
S'CC2(C1(C(=CC=CN=1)C=CC=2))'
p23136
sS'CPD-14318'
p23137
S'C3(=O)(C(=C2(C(=O)NC1(C(=CC=CC=1)2)))C=C(N3)C4(=CNC5(=C4C=CC=C5)))'
p23138
sS'CPD-15135'
p23139
S'CC1(C=CN=C2(C=1C=CC=C2))'
p23140
sS'CPD-15134'
p23141
S'C1(=O)(NC2(C(C=C1)=CC=CC(O)=2))'
p23142
sS'CPD-18673'
p23143
S'CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)C(C)C([O-])=O'
p23144
sS'CPD-15132'
p23145
S'C1(=O)(NC2(=C(C=C1)C=CC(O)=C2))'
p23146
sS'CPD-15131'
p23147
S'C1(=NC2(=C(C=C1)C=CC(O)=C2))'
p23148
sS'CPD-15130'
p23149
S'C1(=O)(NC2(=C(C=C1)C=C(O)C=C2))'
p23150
sS'CPD-15139'
p23151
S'C1(=CC=C2(C(=N1)C(Cl)=CC=C2))'
p23152
sS'CPD-15138'
p23153
S'CC2(C=CC=C1(C=CC(=O)NC1=2))'
p23154
sS'CPD0-2293'
p23155
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%14(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%13(C(=O)[O-])(OC(C(OC9(C(O)C(OC8(C(O)C(OC3(C(O)C(C(O)C(COC2(OC(CO)C(O)C(O)C(O)2))O3)OC6(OC(CO)C(O)C(O)C(OC5(C(O)C(O)C(O)C(COC4(C(O)C(O)C(O)C(C(O)CO)O4))O5))6)))C(OP([O-])(=O)[O-])C(C(O)COC7(C(O)C(O)C(O)C(C(O)CO)O7))O8))C(OP([O-])(=O)[O-])C(C(O)CO)O9))C(OC%11(C(=O)[O-])(CC(C(OC%10(OC(C(O)C(O)C(O)%10)C))C(C(O)CO)O%11)OC%12(C(=O)[O-])(CC(C(O)C(C(O)CO)O%12)O)))C%13)C(O)CO))C%14OP(OC%15(OCC([N+])C(O)C(O)%15))([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p23156
sS'9FLUORENONE'
p23157
S'C1(C=C3(C(=CC=1)C(C2(C(=CC=CC=2)3))=O))'
p23158
sS'CPD0-2294'
p23159
S'CCCCCCCCCCCCCC(=O)OC(CC(OC%26(C(C(OCC1(OC(OP(=O)([O-])[O-])C(NC(=O)CC(O)CCCCCCCCCCC)C(OC(=O)CC(O)CCCCCCCCCCC)C(O)1))OC(COC%25(C(=O)[O-])(OC(C(OC%21(C(O)C(OC%20(C(O)C(OC3(C(O)C(C(O)C(COC2(OC(CO)C(O)C(O)C(O)2))O3)OC%18(OC(CO)C(O)C(O)C(OC%17(C(O)C(O)C(O)C(COC%16(C(O)C(O)C(O)C(C(OC%15(OC(CO)C(OC%14(OC(C(=O)[O-])C(OC%13(OC(C)C(NC(C)=O)C(OC%12(OC(CO)C(OC%11(OC(C(=O)[O-])C(OC%10(OC(C)C(NC(C)=O)C(OC9(OC(CO)C(OC8(OC(C(=O)[O-])C(OC7(OC(C)C(NC(=O)C)C(OC6(OC(CO)C(OC5(OC(C(=O)[O-])C(OC4(OC(C)C(NC(=O)C)C(O)C(O)4))C(O)C(NC(C)=O)5))C(O)C(NC(C)=O)6))C(O)7))C(O)C(NC(C)=O)8))C(O)C(NC(C)=O)9))C(O)%10))C(O)C(NC(C)=O)%11))C(O)C(NC(C)=O)%12))C(O)%13))C(O)C(NC(C)=O)%14))C(O)C(NC(C)=O)%15))CO)O%16))O%17))%18)))C(OP([O-])(=O)[O-])C(C(O)COC%19(C(O)C(O)C(O)C(C(O)CO)O%19))O%20))C(OP([O-])(=O)[O-])C(C(O)CO)O%21))C(OC%23(C(=O)[O-])(CC(C(OC%22(OC(C(O)C(O)C(O)%22)C))C(C(O)CO)O%23)OC%24(C(=O)[O-])(CC(C(O)C(C(O)CO)O%24)O)))C%25)C(O)CO))C%26OP([O-])([O-])=O)NC(CC(CCCCCCCCCCC)OC(CCCCCCCCCCC)=O)=O))=O)CCCCCCCCCCC'
p23160
sS'CPD-18749'
p23161
S'C1(C(Br)=CC=C(C=1)O)'
p23162
sS'CPD-18748'
p23163
S'C([O-])(=O)C(O)=CC=CC(=O)OC1(=CC=CC=C1)'
p23164
sS'CPD-9948'
p23165
S'CCC(C)C(=O)OC2(C=CC(OC)=CC(C1(OC(C)1))=2)'
p23166
sS'CPD-9949'
p23167
S'CC(=O)C(=O)C1(=CC=CC=C1)'
p23168
sS'CPD-18743'
p23169
S'C2(=CC=C(OC1(=CC(Br)=CC=C1))C=C2)'
p23170
sS'CPD-18742'
p23171
S'C1(OC(=CC=C1)C([O-])=O)(=O)'
p23172
sS'CPD-18741'
p23173
S'C2(C=CC(OC1(=CC=CC(O)=C(O)1))=CC=2)'
p23174
sS'CPD-18740'
p23175
S'C2(C=CC(OC1(=CC=CC(O)C(O)1))=CC=2)'
p23176
sS'CPD-18747'
p23177
S'CC9(C%11(OC8(C(C7(C)(C(C6(C(C5(C(CC(OC4(OC(C(OC3(OC(C(O)C(OC1(OCC(O)C(O)C(O)1))C(OC2(OC(C(O)C(O)C(O)2)CO))3)CO))C(O)C(O)4)CO))CC5)CC6)C)CC7))C8))9))(NCC(COC%10(OC(C(O)C(O)C(O)%10)CO))CC(OC(=O)C)%11))'
p23178
sS'CPD-18746'
p23179
S'C2(C=CC(OC1(=CC(Br)=CC(O)=C(O)1))=CC=2)'
p23180
sS'CPD-9940'
p23181
S'CC1(=NC=CC2(=C1NC3(C=C(OC)C=CC2=3)))'
p23182
sS'CPD-18744'
p23183
S'C2(C=C(Br)C=C(OC1(=CC(Br)=CC=C1))C=2)'
p23184
sS'HOP-2229-ENE'
p23185
S'C=C(C)C5(CCC4(C)([CH](CCC2(C)([CH](CC[CH]1(C3(C)(CCCC(C)(C)[CH](CCC(C)12)3)))4))5))'
p23186
sS'CPD-12879'
p23187
S'CC(C)C1(CCC(C)C2(O)([CH]1C=C(C)CC2))'
p23188
sS'CPD-9409'
p23189
S'CC(C(C(=O)[O-])O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23190
sS'CPD-12873'
p23191
S'C1(=CC=C2(N=C3(C=CC=CC(=NC(=C1)2)3)))'
p23192
sS'CPD-12872'
p23193
S'C([O-])(=O)C3(C2(=NC1(C=CC=C(C(=O)[O-])C=1N=C2C=CC=3)))'
p23194
sS'CPD-12871'
p23195
S'COC1(C=C(C=C(C=1)C=CC2(C=CC(=CC=2)O))O)'
p23196
sS'CPD-9408'
p23197
S'CC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)=CC([O-])=O'
p23198
sS'CPD-12875'
p23199
S'CC1(C(CO)C2(C)(C(CC=1)C(C)(C)CCC2))'
p23200
sS'CPD-12874'
p23201
S'C(=O)([O-])C3(C2(=C(NC1(C=CC=CC=1N2))C=CC=3))'
p23202
sS'CPD-8800'
p23203
S'C=CC1(CCC(CC(C(=C)C)1)C(C)C)C'
p23204
sS'ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE'
p23205
S'C(OP(=O)([O-])[O-])C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p23206
sS'CPD-8801'
p23207
S'CC(C1(C3(C2(C(=CCC(C(CC1)(C)2)3)C))))C'
p23208
sS'CPD-9405'
p23209
S'C(C(=O)[O-])[N+]CCC([O-])=O'
p23210
sS'2-AMINO-4-OXO-PENTOATE'
p23211
S'CC(=O)CC([N+])C([O-])=O'
p23212
sS'CPD-7632'
p23213
S'C9(C(C2(OC1(C(=C(C=C(C=1CC2O)O)O)C3(C5(C(=CC(=C(C(OC(C3O)C4(C=CC(=C(C=4)O)O))=5)C7(C6(=C(C=C(C=C6O)O)OC(C7O)C8(C=CC(=C(C=8)O)O))))O)O)))))=CC(=C(C=9)O)O)'
p23214
sS'CPD-7633'
p23215
S'C9(C(C2(OC1(=C(C(=CC(=C1CC2O)O)O)C3(C5(C(=CC(=C(C(OC(C3O)C4(C=CC(=C(C=4)O)O))=5)C7(C6(C(=CC(=CC=6O)O)OC(C7O)C8(C=CC(=C(C=8)O)O))))O)O)))))=CC(=C(C=9)O)O)'
p23216
sS'CPD-7630'
p23217
S'C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)'
p23218
sS'CPD-7631'
p23219
S'C6(C(C2(OC1(=C(C(=CC(=C1CC2O)O)O)C3(C5(=C(C=C(C=C(OC(C3O)C4(C=CC(=C(C=4)O)O))5)O)O)))))=CC(=C(C=6)O)O)'
p23220
sS'CPD-8804'
p23221
S'CC(C1(CCC3(C(C2(CCC(C12)3))=C)C))C'
p23222
sS'CPD-17007'
p23223
S'CCCCCC1(C=CNC(C)=1)'
p23224
sS'2-HYDROXYPHYTANOYL-COA'
p23225
S'CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23226
sS'CPD-8308'
p23227
S'CCCCCCCCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCC=CCCCCCCCC)=O'
p23228
sS'CPD-9401'
p23229
S'C(CCC1(CCC([N+]1)C([O-])=O))([O-])=O'
p23230
sS'CPD-9400'
p23231
S'C([O-])(=O)CCCC(C(=O)[O-])[N+]'
p23232
sS'CPD-678'
p23233
S'[SeH2]'
p23234
sS'CPD-17003'
p23235
S'CC(=O)C(C1(C=CC=CC(O)=1))CC(=O)C2(=CC=CC=C2)'
p23236
sS'CPD-9338'
p23237
S'C=CC(C)=CCC=C(CCC=C(C)C)C'
p23238
sS'K+'
p23239
S'[K+]'
p23240
sS'LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2'
p23241
S'C(C6(OC(OC5(=CC=C(C1(OC4(C(C(C=1)=O)=C(C=C(OC2(C(C(C(C(C([O-])=O)O2)O)O)OC3(OC(C(C(C3O)O)O)C([O-])=O)))C=4)O)))C=C5O))C(C(C6O)O)O))(=O)[O-]'
p23242
sS'CPD-8755'
p23243
S'C=C1(CCC2(CC1C2(C)C))'
p23244
sS'CPD-8300'
p23245
S'CCCCCC=CCC=CCCCCCCCC(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))COC(=O)CCCCCC=CCCCCCCCC)=O'
p23246
sS'CPD-16654'
p23247
S'CC(C)=CCOC1(C=CC(=CC=1)CC2(NC(=O)C(CO)NC(=O)2))'
p23248
sS'VANILLYL-ALCOHOL'
p23249
S'COC1(C(=CC=C(CO)C=1)O)'
p23250
sS'CPD-17008'
p23251
S'CCCCCC1(CC[N+]=C(C)1)'
p23252
sS'CPD-9331'
p23253
S'CC(C=CCCCCCC(NCC1(=CC(=C(C=C1)O)OC))=O)C'
p23254
sS'CEPHALOSPORIN-C'
p23255
S'CC(=O)OCC1(CS[CH]2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=1)2))'
p23256
sS'CPD-9330'
p23257
S'CC(C)C=CCCC(=O)NCC1(=CC=C(O)C(OC)=C1)'
p23258
sS'CPD-8208'
p23259
S'C3(=CC1(C(=O)S[Cu]2(Cl)(N1C(C(=O)S2)=C3)))'
p23260
sS'CPD-673'
p23261
S'C(C(C(=O)[O-])[N+])OS(=O)([O-])=O'
p23262
sS'DIHYDROXYPHENYLGLYCOLALDEHYDE'
p23263
S'C(=O)C(O)C1(C=CC(O)=C(O)C=1)'
p23264
sS'CPD-319'
p23265
S'C(CCCCC(=CC(=O)[O-])C([O-])=O)([O-])=O'
p23266
sS'CPD-318'
p23267
S'C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)'
p23268
sS'CPD-317'
p23269
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])COP(=O)(OP(=O)(OCC4(C(OP([O-])(=O)[O-])C(O)C(O4)N6(C5(=C(C(N)=NC=N5)N=C6))))[O-])[O-]'
p23270
sS'CPD-316'
p23271
S'CC1(=C(C=C2(C(=C1)NC3(C(N2CC(O)C(O)C(O)CO)=NC(NC3=O)=O)))C)'
p23272
sS'CPD-315'
p23273
S'CC4(=C(C)C=C3(N2(C%12(OC(CO)C(OP(=O)(O[CH](C)CNC(=O)CCC1(C)(C(CC(=O)N)[CH]%11(C8(C)(C(CC(=O)N)(C)C(CCC(=O)N)C7(C(C)=C%10(C(CC(=O)N)(C)C(CCC(=O)N)C9(C=C6(C(C)(C)C(CCC(=O)N)C5(C(C)=C1N([Co---]([N+](=C2)C3=C4)(C#N)([N+]=56)([N+]=78)[N+]=9%10)%11)))))))))[O-])C(O)%12))))'
p23274
sS'CPD-313'
p23275
S'C(CC[N+])[N+]'
p23276
sS'CPD-312'
p23277
S'CC([N+]CC(=O)[O-])C(=O)[O-]'
p23278
sS'CPD-311'
p23279
S'CC(C(=O)[O-])[N+]CCC(=O)[O-]'
p23280
sS'CPD-310'
p23281
S'CC([N+]C(C([O-])=O)C)C(=O)[O-]'
p23282
sS'CPD-13654'
p23283
S'CC=CC=CCCCCC=CC1(=CC(OC)=C(CO)C(=O)O1)'
p23284
sS'CPD-13655'
p23285
S'C=CC=CCC2(=C(C)C(OC(=O)C1(C(C1(C)C)C=C(C)C))CC(=O)2)'
p23286
sS'CPD-13656'
p23287
S'CC=CC=CCCCCC=CC1(=CC(OC)=C(C=O)C(=O)O1)'
p23288
sS'CPD-13653'
p23289
S'CC=CC=CCCCCC=CC1(=CC(OC)=C(C)C(=O)O1)'
p23290
sS'CPD-11241'
p23291
S'C([O-])(=O)C1(=CC(O)C(O)C(O1)OC2(C(O)C(C(O)OC(C([O-])=O)2)O))'
p23292
sS'CPD-11245'
p23293
S'CC1(=CC(O)=CC(C(=O)[O-])=C(O)1)'
p23294
sS'CPD-11247'
p23295
S'CC(C)C1(=CC(O)=CC(C(=O)[O-])=C(O)1)'
p23296
sS'CPD-11246'
p23297
S'C(=O)([O-])C1(=C(O)C(Br)=CC(O)=C1)'
p23298
sS'CPD-1771'
p23299
S'CC(=O)NC(CCCC([N+])C(=O)[O-])C(=O)[O-]'
p23300
sS'CPD-11248'
p23301
S'COC1(=C(C(Cl)=CC=C(Cl)1)C([O-])=O)'
p23302
sS'CPD-1772'
p23303
S'C([N+])[CH]=O'
p23304
sS'CPD-1774'
p23305
S'C=C(CC([N+])C([O-])=O)C(=O)[O-]'
p23306
sS'CPD-1777'
p23307
S'COC2(=CC(C=CCO)=CC=C(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p23308
sS'CPD-1776'
p23309
S'CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(OP(=O)([O-])[O-])1)N3(C=NC2(C(N)=NC=NC=23))))C(O)C(=O)NCCC(=O)NCCSC(=O)C4(=CC=C(Cl)C=C4)'
p23310
sS'CPD-19032'
p23311
S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(C([O-])=O)C'
p23312
sS'CPD-19033'
p23313
S'C=CC(C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C'
p23314
sS'CPD-19031'
p23315
S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)([CH]=O)C'
p23316
sS'CPD-9568'
p23317
S'C2(=C(CC(NC(CC(=O)[O-])C([O-])=O)=O)C3(C=CC=CC(N(C1(C(C(C(C(O1)CO)O)O)O))2)=3))'
p23318
sS'CPD-16021'
p23319
S'C=C(F)C(=O)[O-]'
p23320
sS'CPD-19034'
p23321
S'O=[O+][O-]'
p23322
sS'CPD-16023'
p23323
S'C=C(Cl)C#N'
p23324
sS'CPD-12727'
p23325
S'COC3(C2(=C(C(=O)C=C(C1(C=CC=CC=1))O2)C(O)=CC(O)=3))'
p23326
sS'L-ASCORBATE-6-PHOSPHATE'
p23327
S'C(OP([O-])(=O)[O-])C(O)C1(C([O-])=C(O)C(=O)O1)'
p23328
sS'CPD-9567'
p23329
S'C1(=C(CC(=O)[O-])C3(C=CC=CC(N1C2(C(C(C(C(O2)CO)O)O)O))=3))'
p23330
sS'CPD-9561'
p23331
S'CC1(=CC2(C5(C3(=C(C(=CC(=C(C(C(C(=C1)O)=2)=O)3)O)[O-])C4(C(=CC(=C6(C=4C=5C7(C=C(C=C(C(C6=O)=7)O)C)))O)[O-])))))'
p23332
sS'CPD-9562'
p23333
S'CC3(=CC(=C2(C(C1(=C(C=C(C5(=C1C4(C2=C3C6(=C7(C=4C8(C5=C(C=C(C(C(C(=C(C=C6C)O)7)=O)=8)O)[O-]))))))[O-])O))=O))O)'
p23334
sS'ONONIN'
p23335
S'COC1(C=CC(=CC=1)C3(C(C2(C=CC(=CC=2OC=3)OC4(C(C(O)C(C(CO)O4)O)O)))=O))'
p23336
sS'CPD-17376'
p23337
S'C(O)CCCCC=CCC=CCCCCCCCC(=O)[O-]'
p23338
sS'CPD-17375'
p23339
S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O'
p23340
sS'CPD-17374'
p23341
S'C(O)CCCCCCCC=CCCCCCCCC(OCCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O)=O'
p23342
sS'CANAVANINOSUCCINATE'
p23343
S'C(ONC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CC([N+])C([O-])=O'
p23344
sS'CPD-12725'
p23345
S'C(=O)([O-])C1(OC(C(O)C(O)C(O)1)OC4(C(O)=C(O)C3(C(=O)C=C(C2(C=CC=CC=2))OC=3C=4)))'
p23346
sS'CPD-8169'
p23347
S'CC(=CCCC(O)C)C'
p23348
sS'CPD-17370'
p23349
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=CCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23350
sS'CPD-3607'
p23351
S'C(O)C1(OC(O)C(O)C(O)C(O)1)'
p23352
sS'CPD-8166'
p23353
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p23354
sS'CPD-8165'
p23355
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p23356
sS'CPD66-69'
p23357
S'CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCCC(=O)[O-]'
p23358
sS'CPD-8163'
p23359
S'CCCCCC=CCC=CCCCCCCCC(OC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))COC(=O)CCCCCCCCCCCCCCC)=O'
p23360
sS'CPD-8162'
p23361
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCCCCCCCCC)=O'
p23362
sS'CPD-8161'
p23363
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))OC(=O)CCCCCCCCCCCCCCC)=O'
p23364
sS'CPD-17378'
p23365
S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(CC2(=CNC=N2))NC(=O)3))=4))'
p23366
sS'DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR'
p23367
S'C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p23368
sS'ALKYL-CINNAMATE'
p23369
S'C1(C=CC(C=CC(=O)O[R])=CC=1)'
p23370
sS'ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS'
p23371
S'CC(=O)NC3(C(O)OC(CO)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)3)'
p23372
sS'CPD490-7'
p23373
S'CC(OC1(OC(CO)C(O)C(O)C(O)1))C(O)[CH]2(CNC3(N=C(N)NC(C(N2)=3)=O))'
p23374
sS'CPD-11794'
p23375
S'CN1(C(=O)C4(=C(C(=O)1)C5(=C(C3(NC2(C=CC=CC=2C=34)))NC6(=C5C=CC(O)=C6))))'
p23376
sS'CPD-11793'
p23377
S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NC(=O)C=2C=34))C6(=C(N5)C=C(O)C=C6)))))'
p23378
sS'CPD-11792'
p23379
S'C(O)C1(C(O)C(O)C(O)C(O1)C2(CC5(=C(C=C(O)2)NC4(=C6(C(=C3(C=NC(=O)C3=C45))C7(C(=N6)C(=O)CC(=O)C=7))))))'
p23380
sS'CPD-11791'
p23381
S'C1(CC4(=C(C=C(O)1)NC3(=C5(C(=C2(C=NC(=O)C2=C34))C6(C(=N5)C(=O)CC(=O)C=6)))))'
p23382
sS'CPD-11790'
p23383
S'C([O-])(=O)C1(NC(=O)C2(=C1C6(=C(C3(=C2C4(=C(N3)C=CC=C4)))NC5(C=CC=CC=56))))'
p23384
sS'CPD-11799'
p23385
S'C(=O)([O-])C(O)CS(=O)(=O)[O-]'
p23386
sS'2-ETHYLHEXAN-1-OL'
p23387
S'CCCCC(CO)CC'
p23388
sS'2-OXOHEXANOATE'
p23389
S'CCCCC(=O)C(=O)[O-]'
p23390
sS'CPD-8383'
p23391
S'CCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p23392
sS'CPD-8382'
p23393
S'CCCCCC=CCC=CCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p23394
sS'CPD-8381'
p23395
S'CCCCCCCCC=CCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p23396
sS'CPD-8380'
p23397
S'CCCCCCCCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p23398
sS'CPD-8387'
p23399
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p23400
sS'CPD-8386'
p23401
S'CCCCCCCCC=CCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p23402
sS'CPD-8385'
p23403
S'CCCCCCCCCCCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p23404
sS'CPD-8384'
p23405
S'CCCCCCCCC=CCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p23406
sS'CPD-8389'
p23407
S'CCC=CCC=CCC=CCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p23408
sS'CPD-8388'
p23409
S'CCCCCC=CCC=CCCCCCCCCCC(OCC(COP(OCC[N+])([O-])=O)OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p23410
sS'2-PG'
p23411
S'C(=O)([O-])C(OP(=O)([O-])[O-])CO'
p23412
sS'CPD-16681'
p23413
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C(O)=O)CCCC34C)))'
p23414
sS'CPD-16682'
p23415
S'C([O-])(=O)C1(=CC2(=C(C=C(O)1)C(=O)C3(=C(C(=O)2)C(O)=CC=C3)))'
p23416
sS'CPD-16683'
p23417
S'COC3(=C(C=CC(CC(C(CC1(=CC(=C(C=C1)O)OC))COC2(C(C(C(O)C(O2)CO)O)O))CO)=C3)O)'
p23418
sS'CPD-16684'
p23419
S'COC4(=C(C=CC(CC(C(CC1(=CC(=C(C=C1)O)OC))COC2(C(C(C(O)C(O2)CO)O)O))COC3(C(C(C(O)C(O3)CO)O)O))=C4)O)'
p23420
sS'CPD-16685'
p23421
S'CC1(=C(C(OC)=O)C(OC)=CC2(C1=C(O)C3(=C(C=2)C(=O)C4(O)(C(OC)(C(=O)3)C(=O)C=C(OC)C(O)4))))'
p23422
sS'CPD-16686'
p23423
S'CC1(=CC(=CC2(=CC3(=C(C(O)=C12)C(C4(=C(O)C=C(C=C(C3=O)4)[O-]))=O)))O)'
p23424
sS'CPD-16687'
p23425
S'C1(C(=CC(O)=C2(C=1C=C3(C(=C(O)2)C(C4(=C(O)C=C(C=C(C3=O)4)[O-]))=O)))O)'
p23426
sS'7-METHYLXANTHINE'
p23427
S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p23428
sS'5-HYDROXY-TRYPTOPHAN'
p23429
S'C2(NC1(C=CC(O)=CC=1C=2CC(C(=O)[O-])[N+]))'
p23430
sS'CPD-9382'
p23431
S'C(O)C([N+])CO'
p23432
sS'CPD-9383'
p23433
S'C([NH2])C(=O)OC'
p23434
sS'CPD-9384'
p23435
S'CCNC(=O)CCC([N+])C(=O)[O-]'
p23436
sS'CPD-9385'
p23437
S'C1(C=C(C=CC=1NC(CCC(C(=O)[O-])[N+])=O)[N+](=O)[O-])'
p23438
sS'CPD-9386'
p23439
S'CC(C(C(C([CH]=O)O)O)[N+])O'
p23440
sS'CPD-9387'
p23441
S'CC4(C(C(C(C(OP(OP(OCC3(C(C(C(N2(C1(=C(C(NC(=N1)N)=O)N=C2)))O3)O)O))([O-])=O)([O-])=O)O4)O)O)[N+])'
p23442
sS'CPD0-1025'
p23443
S'CC(CBr)(CCOP(=O)([O-])OP(=O)([O-])[O-])O'
p23444
sS'CPD-9211'
p23445
S'CC3(C[N+]2(C1(CC4(C(C1C(C2CC3)C)(C)CCC5(C4CC=C9(C5(C)CCC(OC6(OC(C(O)C(C6OC7(OC(C)C(C(C7O)O)O))OC8(OC(CO)C(C(C8O)O)O))CO))C9))))))'
p23446
sS'CPD-8345'
p23447
S'CCCCCCCCCCCCCCCCCC(OCC(O)COP(OCC[N+](C)(C)C)(=O)[O-])=O'
p23448
sS'CPD-10354'
p23449
S'CC(=O)C(O)(C)C'
p23450
sS'CPD-10356'
p23451
S'CC(C)C=CCCCCC(=O)OCC=CC1(=CC=C(O)C(OC)=C1)'
p23452
sS'4-DIMETHYLAMINOPHENYLAZOBENZENE'
p23453
S'CN(C)C1(C=CC(=CC=1)N=NC2(C=CC=CC=2))'
p23454
sS'CPD-10687'
p23455
S'CC(=O)NCCC=O'
p23456
sS'CPD-14229'
p23457
S'C=CCCCCCCCCCCCCCCCC'
p23458
sS'CPD-10682'
p23459
S'C(O)C3(OC(OC2(C(C(OC1(OC(CO)C(C1O)O)CO)OC(C(O)2)CO)O))C(O)C(O)C(O)3)'
p23460
sS'CPD-10683'
p23461
S'C(C2(OC(OC1(OC(COP([O-])(=O)[O-])C(C(O)1)O)CO)C(C(O)C2O)O))O'
p23462
sS'CPD-10680'
p23463
S'C1(C4(=C(C(O)=CC(O)=1)C(C(C3(C(C2(C(O)=CC(O)=CC=2C(=O)C=3[O-]))=O))=C([O-])C(=O)4)=O))'
p23464
sS'CPD-10681'
p23465
S'C1(C4(=C(C(O)=CC(O)=1)C(C(C3(=C(O)C=C(O)C2(=C(C(=O)C([O-])=CC(=O)2)3)))=C([O-])C(=O)4)=O))'
p23466
sS'CPD-8448'
p23467
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCCC)O)=O'
p23468
sS'CPD-10689'
p23469
S'C([N+]CCC[N+]CCC[N+])CC[N+]'
p23470
sS'CPD-16976'
p23471
S'CC1(C(CO)C2(C)(CCC3(C4(C)(CCCC(C)(C)C(C(O)CC(C)(C(CC=1)2)3)4))))'
p23472
sS'CPD-16977'
p23473
S'CC(=CCO)CCC1(C2(C)(C(CCC(O)(C)1)C3(C)(CCCC(C)(C)C(CC2)3)))'
p23474
sS'CPD-16974'
p23475
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO'
p23476
sS'CPD-16972'
p23477
S'CC7(C(=O)N4(C6(N(C2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC(O)(C5(C4=CC=CC=5))6)C)7)))'
p23478
sS'-CIS-SABINOL'
p23479
S'CC(C12(CC(O)C(C1C2)=C))C'
p23480
sS'CPD-16970'
p23481
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC5(O)(C6(C(N4(C(NC(C)C(=O)4)5))=CC=CC=6)))'
p23482
sS'CPD-16971'
p23483
S'CC1(C(=O)N6(C(N1)C3(CC4(N2(C(=O)C5(C(N=C2C(O3)(NC(=O)4)C)=CC=CC=5))))C7(C6=CC=CC=7)))'
p23484
sS'CIS-34-DEHYDROADIPYL-COA'
p23485
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC=CCC([O-])=O)=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23486
sS'CPD-12266'
p23487
S'C(O)C([N+])COP(=O)([O-])[O-]'
p23488
sS'CPD-12265'
p23489
S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCC(OC(=O)CCCCCCCCCCC)CCCC)COC(CCCCCCCCCC=CCC(OC(CCCCCCCCCCC)=O)CCCC)=O'
p23490
sS'CPD-12262'
p23491
S'C(O)CCCCCCCC=CCCCCCCCC(OCCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCOC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O)=O'
p23492
sS'CPD-17088'
p23493
S'CCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC)COP(OCC[N+])([O-])=O'
p23494
sS'CPD-12260'
p23495
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)[O-])C(NC(C)=O)2))C(O)C(NC(=O)C)3))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[N+])C(NC(C)C(NC(C([O-])=O)C)=O)=O)C(=O)[O-])C(NC(C)=O)4))C)C)C)C)C)C'
p23496
sS'CPD-12261'
p23497
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC8(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC7(OC(CO)C(OC6(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C(=O)[O-])CCCC(C(NC(C)C(=O)NC(C)C([O-])=O)=O)NC(=O)CCC(C(=O)[O-])NC(=O)C(C)NC(=O)C(C)OC4(C(OC3(OC(CO)C(OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C(=O)[O-])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))C(O)C(NC(=O)C)3))C(CO)OC(C(NC(=O)C)4)OP(OP(OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C)([O-])=O)([O-])=O))=O)C(OC5(OC(CO)C(O)C(O)C(NC(=O)C)5))C(CO)O6))C(O)C(NC(=O)C)7))C(CO)O8))([O-])=O)C)C)C)C)C)C)C'
p23498
sS'CPD-17085'
p23499
S'C=C(C1(CCC(=CC1)C([O-])=O))C'
p23500
sS'CPD-17087'
p23501
S'CCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCC)COP(OCC[N+])([O-])=O'
p23502
sS'UDP-APIOSE'
p23503
S'C(OP(=O)([O-])OP(=O)([O-])OC1(OCC(O)(CO)C(O)1))C2(OC(C(O)C(O)2)N3(C=CC(=O)NC(=O)3))'
p23504
sS'CPD-17081'
p23505
S'COC1(=CC(C=CC([O-])=O)=CC(C=O)=C(O)1)'
p23506
sS'CPD-17080'
p23507
S'COC1(=CC(=CC=C(O)1)C=CC2(=C(O)C(OC)=CC(C=CC([O-])=O)=C2))'
p23508
sS'CPD-17083'
p23509
S'C=C(C1(CCC(=CC1)C=O))C'
p23510
sS'CPD-12269'
p23511
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(=O)([O-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(C(NC(C([N+])C)=O)C)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C'
p23512
sS'CPD-10539'
p23513
S'CC2(OC(C(O)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))2)OC6(CC7(CCC5(C(CCC4(C)(C(C3(COC(=O)C=3))CCC(O)45))C(CC6)(C)7))))'
p23514
sS'PYRROLIDINE'
p23515
S'C1(CCC[N+]1)'
p23516
sS'CPD-10536'
p23517
S'CC56(CCC(OC1(OC(CO)C(O)C(O)C(O)1))CC(CCC4(C(CCC3(C)(C(C2(COC(=O)C=2))CCC(O)34))5))6)'
p23518
sS'CPD-10537'
p23519
S'CC45(CCC(O)CC(CCC3(C(CCC2(C)(C(C1(COC(=O)C=1))CCC(O)23))4))5)'
p23520
sS'CPD-10530'
p23521
S'CC(CC1(C=CC=CC=1))N(C)CC2(C=CC=CC=2)'
p23522
sS'CPD-10532'
p23523
S'CCC1(C(NC(CC1)=O)=O)(C2(C=CC(=CC=2)N))'
p23524
sS'CPD-7386'
p23525
S'C(O)C1(C(O)C(O)C(O)C(O1)OC4(C3(C=C([O-])C(C2(=CC=C(O)C(O)=C2))=[O+]C=3C=C([O-])C=4)))'
p23526
sS'CPD-7387'
p23527
S'C1(C[N+]CC(O)1)'
p23528
sS'CPD-7384'
p23529
S'C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])[O-]))))OC(C=CC5(C=CC(=CC=5)O))=O'
p23530
sS'CPD-7383'
p23531
S'C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])[O-]))))OC(C=CC5(=CC(=C(C=C5)O)O))=O'
p23532
sS'2-MERCAPTOETHANOL'
p23533
S'C(O)CS'
p23534
sS'THF'
p23535
S'C(NC1(C=CC(C(=O)NC(C(=O)[O-])CCC([O-])=O)=CC=1))[CH]3(CNC2(=C(C(=O)NC(N)=N2)N3))'
p23536
sS'CPD-7388'
p23537
S'C(C1(C=CC([Hg])=CC=1))([O-])=O'
p23538
sS'CPD-7389'
p23539
S'C1(=CC(O)=C(O)C=C1C=C2(C(=O)C3(=CC=C(O)C=C(O2)3)))'
p23540
sS'CPD-18974'
p23541
S'[CH](CC(CC(=O)C([O-])=O)=O)=O'
p23542
sS'CPD-18977'
p23543
S'CC(=CC(OCCCCCCCCCCCCCCCC([O-])=O)=O)C[CH]1(C(O)C(O)[CH](CC=CC(C(C)O)C)CO1)'
p23544
sS'TETRAHYDROXYPTERIDINE'
p23545
S'C12(N=C(O)N=C(C(N=C(C(O)=N1)O)=2)O)'
p23546
sS'CPD-18972'
p23547
S'C(C([N+])C([O-])=O)C([N+])C([O-])=O'
p23548
sS'CPD-18973'
p23549
S'C(C([N+])C([O-])=O)C(=O)C([O-])=O'
p23550
sS'CPD-26'
p23551
S'C(O)C(O)C(=O)C(O)C(O)COP([O-])([O-])=O'
p23552
sS'CPD-18978'
p23553
S'CC(=CC(OCCCCCCCCCCCCCC(=O)[O-])=O)C[CH]1(C(O)C(O)[CH](CC=CC(C(C)O)C)CO1)'
p23554
sS'CPD-18979'
p23555
S'CC(=CC(OCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)C[CH]4(C(O)C(O)[CH](CC=CC(C(C)O)C)CO4)'
p23556
sS'911-ALPHA-EPOXYPREGN-4-ENE-320-DIONE'
p23557
S'CC(=O)C1(C2([CH](CC1)[CH]5(C3(OC(C2)3)C4(C)(CCC(=O)C=C4CC5)))(C))'
p23558
sS'3-MERCAPTO-PYRUVATE'
p23559
S'C(C(C(=O)[O-])=O)S'
p23560
sS'COBINAMIDE'
p23561
S'CC(O)CNC(=O)CCC5(C)(C(CC(=O)N)[CH]7(C8(C)(C(C)(CC(N)=O)C(CCC(N)=O)C1(=[N+]([Co---]26([N+]4(C(=CC3(C(CCC(N)=O)C(C)(CC(N)=O)C(=C(C)1)[N+]2=3))C(C)(C)C(CCC(N)=O)C=4C(C)=C5N67)))8))))'
p23562
sS'CPD-9849'
p23563
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCC2(=C(C)C(=O)C1(=C(C=CC=C1)C(=O)2)))C'
p23564
sS'N-ALPHA-ACETYLORNITHINE'
p23565
S'CC(=O)NC(CCC[N+])C(=O)[O-]'
p23566
sS'CYSTAMINE'
p23567
S'C(CSSCC[N+])[N+]'
p23568
sS'A-PYRIMIDODIAZEPINE'
p23569
S'CC(=O)C1(CCNC2(=NC(N)=NC(=O)C(N=1)2))'
p23570
sS'LOGANIN'
p23571
S'CC1(C(O)C[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C(OC)=O)3))'
p23572
sS'CPD-9847'
p23573
S'C=CC1(C2(CC([N+](C1)CC2)C(C3(C4(=C(N=CC=3)C=CC=C4)))O))'
p23574
sS'DI-H-OROTATE'
p23575
S'C1(C(=O)NC(=O)NC(C(=O)[O-])1)'
p23576
sS'CPD-4566'
p23577
S'COC1(=C(C=C2(C(=C1)OCO2))C3(C(C4(=C(C=C(C=C(OC3)4)OC5(C(C(C(C(O5)CO)O)O)O))O))=O))'
p23578
sS'VOMILENINE'
p23579
S'CC=C4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N=C2[CH](C3)N(C(O)4)[CH]5C6)))))'
p23580
sS'N-METHYLPHENYLETHANOLAMINE'
p23581
S'C[N+]CC(C1(=CC=CC=C1))O'
p23582
sS'5-N-PROPYLTHIOADENOSINE'
p23583
S'CCCSCC1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p23584
sS'CPD0-2023'
p23585
S'CSC(C(O)=O)CC(N)C(O)=O'
p23586
sS'CPD0-2022'
p23587
S'CC1(=C(CCOP(=O)([O-])OP(=O)([O-])[O-])SC=[N+]1CC2(C(N)=NC(OC)=NC=2))'
p23588
sS'CPD0-2021'
p23589
S'COC1(=NC=C(COP(=O)([O-])OP(=O)([O-])[O-])C(N)=N1)'
p23590
sS'CPD0-2020'
p23591
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(C(N)=NC(C(F)(F)F)=NC=1)'
p23592
sS'CPD0-2026'
p23593
S'C(C3(CC(O)C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3))OP([O-])([O-])=O'
p23594
sS'CPD0-2028'
p23595
S'[CH](=O)C(=O)C1(=CC=C(Cl)C=C1)'
p23596
sS'DICOUMAROL'
p23597
S'C1(=CC2(=C(C=C1)OC(C(=C(O)2)CC3(C(OC4(C(C=3O)=CC=CC=4))=O))=O))'
p23598
sS'CPD-17685'
p23599
S'C(NN)(=O)C1(C=CC(O)=CC=1)'
p23600
sS'CPD-15838'
p23601
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C'
p23602
sS'CPD-15839'
p23603
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=CC=2C)O)))C)C)C'
p23604
sS'CPD-13131'
p23605
S'C(C1(C(C(C(CO1)=O)=O)O))O'
p23606
sS'CPD-15837'
p23607
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=C(C(=CC=2C)O)C)))C)C)C'
p23608
sS'CPD-15834'
p23609
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=C(C)C(O)=C1))C)C'
p23610
sS'CPD-15835'
p23611
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C1(OC(C(O)C(OP(=O)([O-])[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p23612
sS'CPD-13135'
p23613
S'C([O-])(=O)C1(=CNC2(=C1C=CC=C2))'
p23614
sS'CPD-15833'
p23615
S'CCCCCCCCCCCCCCCC(OC(COC1(OC(C(C(C1O)O)O)CO))CO)=O'
p23616
sS'DL-5-FLUOROTRYPTOPHAN'
p23617
S'C1(C(=CC2(=C(C=1)NC=C2CC(C(=O)[O-])[N+]))F)'
p23618
sS'CPD-15831'
p23619
S'CCNC(=O)C1(C(C(O)C(O1)N2(C=NC3(C2=NC=NC=3N)))O)'
p23620
sS'CPD-17488'
p23621
S'CCCCCCCCCC(=O)C([N+])=CC'
p23622
sS'CPD-18350'
p23623
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O'
p23624
sS'CPD-18351'
p23625
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O'
p23626
sS'CPD-18352'
p23627
S'CCCCCCC=CCCCCCCCCCC(OC(COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O'
p23628
sS'CPD-18353'
p23629
S'CCCCCCC=CCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCC=CCCCCCC)COP([O-])(=O)[O-])=O'
p23630
sS'CPD-18355'
p23631
S'CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCCCC=CCCCCCC'
p23632
sS'CPD-18356'
p23633
S'CCCCCCC=CCCCCCCCCCC(=O)OC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)COC(=O)CCCCCCCCCCCCCCC'
p23634
sS'CPD-18357'
p23635
S'CCCCCCC=CCCCCCCCCCC(=O)OCC(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)OC(=O)CCCCCCCC=CCCCCCC'
p23636
sS'LUCIFERIN'
p23637
S'C3(=C(NC(CC1(C=CC=CC=1))=C4(N=C(CC2(=CC=C(C=C2)OS(=O)(=O)[O-]))C(=O)N34))C5(=CC=C(C=C5)OS(=O)(=O)[O-]))'
p23638
sS'CPD-18359'
p23639
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP([O-])(=O)OCC(O)COP([O-])(=O)[O-])=O'
p23640
sS'CPD-14305'
p23641
S'CC1(=C(O)CC(CC([O-])=O)C(C)(C)1)'
p23642
sS'CPD-14304'
p23643
S'CC1(C)(C2(CC(=O)C1(C(=O)C2)C))'
p23644
sS'CPD-14303'
p23645
S'CC(C([O-])=O)[N+]C'
p23646
sS'CPD-14301'
p23647
S'CC1(C)(C2(CC(O)C1(C(=O)C2)C))'
p23648
sS'CPD-14300'
p23649
S'CCCCCCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23650
sS'CPD-17962'
p23651
S'CCCCCCCCC1(C(=O)NC(C(=O)NC(C(=O)N2(C(C(=O)N1)CCCC2))C(CC)C)CC3(C4(C(N(OC)C=3)=CC=CC=4)))'
p23652
sS'CPD-17963'
p23653
S'CC(C)=CC(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p23654
sS'CPD-17960'
p23655
S'C3(=O)(C(NC(C1(=CC=CC=C1))=O)=C2(SSC=C2N3))'
p23656
sS'CPD0-2284'
p23657
S'CC(C(NC(CCC([O-])=O)C(=O)NC(CCCC(C(=O)[O-])[N+])C([O-])=O)=O)NC(C(OC1(C(C(OCC1NC(=O)C)CO)O))C)=O'
p23658
sS'CPD-17966'
p23659
S'CCC(=O)CCCCCC([N+])C([O-])=O'
p23660
sS'CPD-17964'
p23661
S'CC=C(C)C(=O)NC1(C(=O)N(C)C2(=CSSC=12))'
p23662
sS'CPD0-2280'
p23663
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC%14(OC(C(O)C(OC%13(C(OC(C)=O)C(OC%12(OC(COC%11(C(OC9(OC(C(O)C(OC8(C(OC(C)=O)C(OC7(OC(COC6(C(OC4(OC(C(O)C(OC3(C(OC(C)=O)C(OC2(OC(COC1(C(O)C(O)C(C(CO)O)O1))C(O)C(O)C(O)2))C(O)C(C)O3))C(NC(=O)C)4)COC5(C(O)C(O)C(O)C(CO)O5)))C(O)C(C(CO)O)O6))C(O)C(O)C(O)7))C(O)C(C)O8))C(NC(=O)C)9)COC%10(C(O)C(O)C(O)C(CO)O%10)))C(O)C(C(CO)O)O%11))C(O)C(O)C(O)%12))C(O)C(C)O%13))C(NC(=O)C)%14)COC%15(C(O)C(O)C(O)C(CO)O%15)))C)C)C)C)C)C)C'
p23664
sS'CPD-17968'
p23665
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C([O-])=O)C(OC1(OC(CO)C(O[R])C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p23666
sS'CPD-17969'
p23667
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)C(NCC([O-])=O)=O)C(OC1(OC(CO)C(O[R])C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C'
p23668
sS'CPD0-2289'
p23669
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP(=O)([O-])OC1(C(NC(C)=O)C(C(O)C(CO)O1)OC2(OC(C)C(O)C(O)C(O)2))'
p23670
sS'CPD0-2288'
p23671
S'CC2(C(=O)NC(C(NC(CCCC(C(=O)[O-])NC(=O)C(C)NC(=O)C5(CCCC(NC(C(NC(=O)C(CCCC(C(=O)[O-])[N+])NC(=O)C(CCC([O-])=O)NC(=O)C(C)NC(=O)C(C)OC8(C(OC1(C([N-]C(=[O+])C)C(O)C(O)C(CO)O1))C(CO)OC(OC7(C(CO)OC(OC6(C(CO)OC(OC4(C(CO)OC(OC3(C(CO)OC=C(NC(C)=O)C(OC(C(=O)N2)C)3))C(NC(C)=O)C(O)4))C(NC(C)=O)C(OC(C(NC(C(NC(C(N5)=O)CCC(=O)[O-])=O)C)=O)C)6))C(NC(C)=O)C(O)7))C(NC(C)=O)8))C)=O)C(=O)[O-]))C(NC(C([O-])=O)C)=O)=O)CCC([O-])=O)'
p23672
sS'CPD-17481'
p23673
S'C2(C=C(OC1(C(C(C(O)C(O1)CO)O)O))C=CC=2[CH]=C3(C(=O)C4(C(O3)=CC(O)=CC=4)))'
p23674
sS'CPD-5921'
p23675
S'C1(C=CC(=CC=1)CC(O)C(=O)[O-])'
p23676
sS'S-METHYLTHIOGLYCOLATE'
p23677
S'C([O-])(=O)CSC'
p23678
sS'CPD-5923'
p23679
S'C(C1(OC(C(C1O)O)N2(C3(=C(N=C2)C(=NC=N3)N))))F'
p23680
sS'CPD-271'
p23681
S'CC(OC4(CC[CH]3([CH]2(CCC1(=CC(CCC1([CH]2CCC34C)C)=O)))))=O'
p23682
sS'4-AMINO-4-DEOXY-L-ARABINOSE'
p23683
S'C1(OC(O)C(O)C(O)C([N+])1)'
p23684
sS'CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL'
p23685
S'C(CCC1(=CC=CC(C(O)1)O))(=O)[O-]'
p23686
sS'CPD0-1390'
p23687
S'C(C2(C(C(Cl)C(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O'
p23688
sS'GLYCOCHENODEOXYCHOLATE-7-SULFATE'
p23689
S'CC(CCC(=O)NCC([O-])=O)[CH]2(CC[CH]3([CH]4(C(OS(=O)(=O)[O-])C[CH]1(CC(O)CCC(C)1[CH](CCC(C)23)4))))'
p23690
sS'CPD0-1392'
p23691
S'Cl[Pt]([NH3])([NH3])Cl'
p23692
sS'CPD0-1393'
p23693
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(N=[N+]=[N-])C(O)1)N2(C=CC(=O)NC(=O)2))'
p23694
sS'CPD0-1394'
p23695
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(C(Cl)C(O)1)N2(C=CC(=O)NC(=O)2))'
p23696
sS'CPD0-1395'
p23697
S'N(=O)O[O-]'
p23698
sS'CPD0-1396'
p23699
S'C[S+](C)CC1(C(O)C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p23700
sS'CPD0-1397'
p23701
S'CCC(C=NNC(N)=[N+])=NNC(N)=[N+]'
p23702
sS'CPD0-1398'
p23703
S'CC(C=NNC(N)=[N+])=NNC(N)=[N+]'
p23704
sS'CPD0-1399'
p23705
S'C(#N)[B-]'
p23706
sS'BENZOATE'
p23707
S'C(C1(C=CC=CC=1))([O-])=O'
p23708
sS'CPD-279'
p23709
S'C([O-])(=O)C=CC(=CC([O-])=O)Cl'
p23710
sS'3-INDOLYLGLYCOLALDEHYDE'
p23711
S'C2(=C(C1(C=CC=CC=1N2))C(O)C=O)'
p23712
sS'QUINOLINATE_NUCLEOTIDE'
p23713
S'C2(C=CC(=C([N+](C1(OC(C(O)C1O)COP([O-])(=O)[O-]))=2)C([O-])=O)C([O-])=O)'
p23714
sS'DOCOSANOATE'
p23715
S'CCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p23716
sS'S-1-PHENYLETHANOL'
p23717
S'CC(O)C1(C=CC=CC=1)'
p23718
sS'ALPHA-METHYLMETHIONINE'
p23719
S'CC(C(=O)[O-])([N+])CCSC'
p23720
sS'AEROBACTIN'
p23721
S'CC(=O)N(CCCCC(NC(CC(C(=O)[O-])(O)CC(=O)NC(C(=O)[O-])CCCCN(C(C)=O)O)=O)C([O-])=O)O'
p23722
sS'CPD0-1646'
p23723
S'C(C1(C(C(C(C(OP(=O)([O-])[O-])O1)[N+])O)O))O'
p23724
sS'CPD-12461'
p23725
S'CC(=CCCC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O)C)C)C'
p23726
sS'CPD-12462'
p23727
S'C(O)C1(C(C(O)C(C(O1)OCC2(C(C(C(CO)O2)O)O)(OC4(C(C(C(C(COC3(C(C(C(C(CO)O3)O)O)O))O4)O)O)O)))O)O)'
p23728
sS'CPD-12463'
p23729
S'C(O)C1(C(C(O)C(C(O1)OCC2(C(C(C(CO)O2)O)O)(OC4(C(C(C(C(COC3(C(C(C(C(CO)O3)O)O)O))O4)OC5(C(C(C(C(CO)O5)O)O)O))O)O)))O)O)'
p23730
sS'CPD0-1642'
p23731
S'C(#N)SC1(C=C(C(=O)[O-])C([N+]([O-])=O)=CC=1)'
p23732
sS'CPD0-1643'
p23733
S'CC(C(=O)[O-])OC1(C(O)C(OC(OP(=O)([O-])[O-])C(NC(=O)C)1)CO)'
p23734
sS'CPD-15306'
p23735
S'CC(C(O)C2(=CN=C1(N=C(NC(C1=N2)=O)N)))O'
p23736
sS'CPD0-1641'
p23737
S'CCCC(C(O)=O)NC(=O)C'
p23738
sS'CPD-15308'
p23739
S'C1(N=C2(N=C(N)NC(=O)C(=NC=1C(O)C(O)CO)2))'
p23740
sS'CPD-12469'
p23741
S'C1(C=CC([N+])(C(C=1)O)O)'
p23742
sS'INDOLE-3-ACETYL-GLU'
p23743
S'C1(NC2(=C(C(CC(=O)NC(CCC([O-])=O)C([O-])=O)=1)C=CC=C2))'
p23744
sS'CPD-17368'
p23745
S'CCCCCC=CCC=CCC=CCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23746
sS'INDOLE-3-ACETYL-GLN'
p23747
S'C1(NC2(C=CC=CC(C(CC(=O)NC(CCC(=O)N)C([O-])=O)=1)=2))'
p23748
sS'CDP'
p23749
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP(OP([O-])([O-])=O)([O-])=O'
p23750
sS'HYDROXYNAPHTHOQUINONE'
p23751
S'C2(=CC(=C1(C(=O)C=CC(C1=C2)=O))O)'
p23752
sS'GLUTARATE'
p23753
S'C(CC([O-])=O)CC(=O)[O-]'
p23754
sS'1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE'
p23755
S'CON1(C3(C=CC=CC(C(=C1)CC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2))=3))'
p23756
sS'GLUTACONATE'
p23757
S'C(=CC(=O)[O-])CC(=O)[O-]'
p23758
sS'OXALACETIC_ACID'
p23759
S'C(C([O-])=O)C(=O)C([O-])=O'
p23760
sS'CPD-9172'
p23761
S'CCC1(C=CC(C([O-])=O)=CC=1)'
p23762
sS'CPD0-1701'
p23763
S'C(N)COCC(N)C(O)=O'
p23764
sS'CPD0-1700'
p23765
S'C(N)C=CCC(N)C(=O)O'
p23766
sS'TROPINE'
p23767
S'C[N+]1(C2(CC(O)CC1CC2))'
p23768
sS'CPD-9175'
p23769
S'CC(NC(C(=O)[O-])CS)=O'
p23770
sS'CPD-9174'
p23771
S'C(=O)([O-])C1(C2(=C(C(C([O-])=O)=CC=1)C=CC=C2))'
p23772
sS'ETHYL-3-OXOHEXANOATE'
p23773
S'CCCC(=O)CC(=O)OCC'
p23774
sS'CPD0-1708'
p23775
S'CCCC2(=NC1(=CC=C(Cl)N=C1N2C3(=CC=C(C=C3)C4(=CC=C(C=C4)C5(=CC=CC=C5CC6([N-]N=NN=6))))))'
p23776
sS'CPD-782'
p23777
S'C([O-])(=O)CC1(C=CC(=C(C=1)O)O)'
p23778
sS'CPD-783'
p23779
S'C(=O)C(=CC=C(C([O-])=O)O)CC([O-])=O'
p23780
sS'CPD-784'
p23781
S'C([O-])(=O)CC(=CC=C(C([O-])=O)O)C([O-])=O'
p23782
sS'CPD-785'
p23783
S'C(CC(C=CC(C([O-])=O)=O)C([O-])=O)([O-])=O'
p23784
sS'CPD-786'
p23785
S'C(CCC=CC(C([O-])=O)=O)([O-])=O'
p23786
sS'CPD-787'
p23787
S'C([O-])(=O)CC=CC=C(O)C(=O)[O-]'
p23788
sS'CPD-788'
p23789
S'CC2(C)(OC1(C)(CCC(CC(=O)O1)2))'
p23790
sS'CPD-789'
p23791
S'CC(=O)CCC1(CC(=O)OC(C)(C)1)'
p23792
sS'3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE'
p23793
S'CSCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p23794
sS'CPD-9318'
p23795
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)C(=O)[O-])O))C)C'
p23796
sS'CPD-7400'
p23797
S'C1(=NC(=O)NC([O-])=N1)(N)'
p23798
sS'CPD-7403'
p23799
S'C2(N=C(NC1(CC1))N=C(N=2)N)(N)'
p23800
sS'CPD-7402'
p23801
S'CCNC1(N=C(N)N=C(NC(C)C)N=1)'
p23802
sS'CPD-7405'
p23803
S'C1(=NC(O)=NC(=N1)O)(NC2(CC2))'
p23804
sS'CPD-7404'
p23805
S'C2(N=C(O)N=C(NC1(CC1))N=2)(N)'
p23806
sS'CPD-7406'
p23807
S'C1(C(C1)[N+])'
p23808
sS'CPD-7409'
p23809
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)C)C=CC=C(C=CC2(=C(CCCC(C)(C)2)C))C'
p23810
sS'CPD-7408'
p23811
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C'
p23812
sS'--5-oxo-1-2-campholide'
p23813
S'CC1(C)(C2(C)(OC(=O)CC1C(=O)C2))'
p23814
sS'CPD-16763'
p23815
S'C1(C(=CC(=C(O)C=1)O)C2(OC3(C(O)=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p23816
sS'CPD-16762'
p23817
S'C1(C=C(C(=CC=1C3(=C(C(C2(=C(C=C(C(=C2O3)O)OC4(C(C(C(O)C(O4)CO)O)O))O))=O)[O-]))O)O)'
p23818
sS'CPD-1126'
p23819
S'C(NC(C(=O)[O-])CC(=O)[O-])=[N+]'
p23820
sS'CPD-16760'
p23821
S'CN(OC)C(=O)NC1(C=CC(Cl)=C(C=1)Cl)'
p23822
sS'CPD-16767'
p23823
S'CC2(CCC1(C(OC(=O)C(=C)1)C3(OC(C)(C(O)CC=2)3)))'
p23824
sS'CPD-1121'
p23825
S'C2(O)(C(O)C1(OP([O-])(=O)OC1C(O)C(O)2))'
p23826
sS'CPD-16765'
p23827
S'COC2(=C(OC)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p23828
sS'CPD-16764'
p23829
S'COC2(C3(OC(C1(=CC=C(O)C=C1))=C([O-])C(=O)C(C(O)=CC(O)=2)=3))'
p23830
sS'CPD0-1202'
p23831
S'C2(C(C(C(C(OCC1(OC(O)C(O)C(O)C(O)1))O2)O)O)O)'
p23832
sS'CPD-16769'
p23833
S'CC(=O)C1(C=CC(N)=CC=1)'
p23834
sS'CPD-1128'
p23835
S'C1(N=C(C([O-])=O)CC(O)1)'
p23836
sS'CPD-15745'
p23837
S'CC(C)CC(C(NC8(C(NC(CC(N)=O)C(NC5(C(NC3(C(NC(C(NC(C(=O)[O-])C1(=CC(=CC(=C1C2(C(=CC=C(C=2)3)O))O)O))=O)C(C4(=CC(Cl)=C(C=C4)OC6(C=C5C=C(C=6O)OC7(=C(Cl)C=C(C=C7)C8O))))O)=O))=O))=O)=O))=O)[N+]C'
p23838
sS'CPD-9717'
p23839
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(C(OC)=C(OC)C(=O)C(C)=1)=O)'
p23840
sS'CPD-12072'
p23841
S'CCCCCCCCCCCCCCCC=CC(N(CCCCC(C(=O)OC(CC)C(C)C(NC1(C(N(CCCC1)O)=O))=O)NC(C3(COC(=C2(C(C=CC=C(C)2)=O))N3))=O)O)=O'
p23842
sS'CPD-12071'
p23843
S'CCCCCCCCCCCCCCCC=CC(N(O)CCCCC(C(=O)OC(C)CC(NC1(C(N(CCCC1)O)=O))=O)NC(C3(COC(=C2(C(=O)C=CC=C2))N3))=O)=O'
p23844
sS'CPD-12416'
p23845
S'C1(=CNC2(=C1C(=C(O)C(O)=C2)C3(=CC6(=C(N3)C=C(O)C(O)=C(C4(=CC5(=C(N4)C=C(O)C(O)=C5)))6))))'
p23846
sS'CPD-12077'
p23847
S'CC[N+]([O-])=O'
p23848
sS'CPD-9711'
p23849
S'C=C(C5(OC4(C=CC3(C(C2(C1(C=C(C(=CC=1OCC2OC=3C=4C5)OC)OC)))O))))CO'
p23850
sS'CPD-9710'
p23851
S'COC1(C=C4(C(=CC=1C2(C(=O)C3(C=C(C(=CC(OC=2)=3)O)OC)))OCO4))'
p23852
sS'CPD-15371'
p23853
S'C(O)C1(OC(C(O)C(O)C(O)1)OC5(=C(O)C(=CC(C4(=[O+]C2(=C(C([O-])=CC([O-])=C2)C=C(OC3(OC(COC(CC([O-])=O)=O)C(O)C(O)C(O)3))4)))=C5)OC6(OC(C(O)C(O)C(O)6)COC(=O)C=CC7(C=CC(O)=CC=7))))'
p23854
sS'CPD-12078'
p23855
S'C1(NC2(=C(C(CC(C([O-])=O)[N+])=1)C=C(Cl)C=C2))'
p23856
sS'CPD-9719'
p23857
S'CC(=CCCC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C)C'
p23858
sS'CPD-9718'
p23859
S'CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)C2(C=CC=CC(C(=O)1)=2)))C'
p23860
sS'CPD-12413'
p23861
S'C5(=C(NC6(C=C(O)C(O)=C(C3(=C(O)C(O)=C(C2(=C(O)C(O)=CC1(NC(=CC=12)C(=O)[O-])))C4(NC(=CC3=4)C(=O)[O-])))C5=6))C(=O)[O-])'
p23862
sS'+-epi-beta-santalene'
p23863
S'CC(C)=CCCC1(C)(C(=C)C2(CCC1C2))'
p23864
sS'ARG'
p23865
S'C(NC(N)=[N+])CCC([N+])C(=O)[O-]'
p23866
sS'CPD-7947'
p23867
S'CCCCCCCCCCCCCCCCCCCCCCC'
p23868
sS'DIHYDROBIOCHANIN-A'
p23869
S'COC1(C=CC(=CC=1)C2(=COC3(C(C(O)2)=C(C=C(C=3)O)O)))'
p23870
sS'2-DEHYDROPANTOATE'
p23871
S'CC(C(=O)C([O-])=O)(CO)C'
p23872
sS'CPD-124'
p23873
S'C[N+]CCCC(=O)[O-]'
p23874
sS'CPD-14619'
p23875
S'C1(C=C(C=CC=1C2(C(C(=C(C(C=2O)=O)C3(C=CC(=CC=3)O))O)=O))O)'
p23876
sS'CPD-122'
p23877
S'C(=O)(C(C1(C=CC=CC=1))O)[O-]'
p23878
sS'CPD-123'
p23879
S'C1(=CC(O)=NC(O)=C1)'
p23880
sS'CPD-14347'
p23881
S'CC(=O)C3(C(=O)C4(OC2(CC(OC1(CC(O)C(O)C(C)O1))C(O)C(C)O2))([CH](C(OC)C=3O)CC6(=C(C(=O)4)C(O)=C5(C(O)=CC(O)=CC5=C6))))'
p23882
sS'CPD-12429'
p23883
S'CC(C(C(=O)[O-])[N+])CCNC(=[N+])N'
p23884
sS'CPD-11882'
p23885
S'CC(CC(C([O-])=O)[N+])[N+]'
p23886
sS'COPROPORPHYRINOGEN_I'
p23887
S'CC1(=C2(CC5(=C(CCC([O-])=O)C(C)=C(CC4(=C(CCC([O-])=O)C(C)=C(CC3(=C(CCC([O-])=O)C(C)=C(CC(=C(CCC([O-])=O)1)N2)N3))N4))N5)))'
p23888
sS'CPD-11479'
p23889
S'C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)[O-])CC[N+]'
p23890
sS'CPD-8705'
p23891
S'CC(C3(=CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p23892
sS'CPD-11470'
p23893
S'CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(CC=1C)OC2(OC(CO)C(O)C(O)C(O)2))(C)C))C)C)C=CC=C(C=CC3(=C(CC(CC3(C)C)O)C))C'
p23894
sS'CPD-11471'
p23895
S'CC(C=CC=C(C=CC1(C(CC(CC=1C)OC2(OC(CO)C(O)C(O)C(O)2))(C)C))C)=CC=CC=C(C=CC=C(C=CC3(=C(CC(CC3(C)C)OC4(OC(CO)C(O)C(O)C(O)4))C))C)C'
p23896
sS'CPD-11476'
p23897
S'C([N+])CCC[N+]CCCNC(C1(C=CC(O)=C(O)C=1))=O'
p23898
sS'CPD-11477'
p23899
S'C([N+]CCCCNC(=O)CC(C(=O)[O-])(O)CC(=O)[O-])CCNC(C1(C=CC(O)=C(O)C=1))=O'
p23900
sS'CPD-11474'
p23901
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C4(C=CC(O)=C(O)C=4))=O)([O-])=O'
p23902
sS'PHYTYL-PYROPHOSPHATE'
p23903
S'CC(CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p23904
sS'2-DEHYDRO-3-DEOXY-D-GLUCONATE'
p23905
S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p23906
sS'CAFFEOYLQUINATE'
p23907
S'C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC(O)=C(O)C=C2))'
p23908
sS'CPD-17412'
p23909
S'CCCC=CCC=CCCCCCCCC(=O)[O-]'
p23910
sS'CPD-8449'
p23911
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCCCC)O)=O'
p23912
sS'CPD-17143'
p23913
S'C2(N(C1(C(O)C(O)C(O1)COP([O-])([O-])=O))C(=O)N=C(N)C(CO)=2)'
p23914
sS'CPD-17416'
p23915
S'C3(=O)(NC(CC1(C=CC=CC=1))C(=O)NC(CC2(C=CC(O)=CC=2))3)'
p23916
sS'CPD-14345'
p23917
S'C(=O)([O-])C1(=CC=C([N+](=O)[O-])C=C([N+])1)'
p23918
sS'CPD-8441'
p23919
S'CCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p23920
sS'CPD-8442'
p23921
S'CCCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p23922
sS'CPD-8443'
p23923
S'CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(NC(C(C=CCCC=CCCCCCCCCC)O)CO)=O'
p23924
sS'2-HYDROXYISOFLAVANONE'
p23925
S'C3(C(C2(C(=O)C1(=CC=C(C=C1OC(O)2)O)))=CC=C(C=3)O)'
p23926
sS'CPD-8446'
p23927
S'CCCCCCCCCCCCCCCCCC(NC(C(O)C(O)CCCCCCCCCCCCCC)CO)=O'
p23928
sS'CPD-8447'
p23929
S'CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(C(CCCCCCCCC)O)=O'
p23930
sS'CPD-13302'
p23931
S'C1(CC=[N+]C=1)'
p23932
sS'CPD-13303'
p23933
S'CC3(C(OC(=O)C)C4(OC(C2(C(C)(CC1(OC(C)(C=O)1)C(=O)C=2)3))4))'
p23934
sS'CPD-13300'
p23935
S'C1(C=CNC=1)'
p23936
sS'CPD-13301'
p23937
S'C1(=CC[N+]=C1)'
p23938
sS'3-PHOSPHOGLUCARATE'
p23939
S'C(C(OP(=O)([O-])[O-])C(O)C(=O)[O-])(C(C(=O)[O-])O)O'
p23940
sS'CPD-13304'
p23941
S'CC4(C(OC(=O)C)C5(OC(C2(C(C)(CC13(OC(C)(C(O)N=C1C=2)3))4))5))'
p23942
sS'FARNESYLFARNESYLGERANIOL'
p23943
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(C)=CCCC(C)=CCO)C)C)C)C'
p23944
sS'CPD1G-768'
p23945
S'CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OCC3(OC(C(C(C3O)O)O)OC4(C(C(C(C(O4)COP([O-])(=O)[O-])O)O)O))'
p23946
sS'CPD-14826'
p23947
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p23948
sS'CPD-14827'
p23949
S'C(O)CCCCCCCCCCCCCCCCCCCCC(=O)OC(COP([O-])(=O)[O-])CO'
p23950
sS'CPD-14824'
p23951
S'C1(C=C(O)C=CC=1C2(=CC(=O)C3(C(O)=CC(=CC(O2)=3)OC5(OC(COC4(OC(CO)C(O)C(O)C(O)4))C(O)C(O)C(O)5))))'
p23952
sS'CPD-14825'
p23953
S'C1(C=C(O)C(O)=CC=1C2(=CC(=O)C3(C(O)=CC(=CC(O2)=3)OC5(OC(COC4(OC(CO)C(O)C(O)C(O)4))C(O)C(O)C(O)5))))'
p23954
sS'CPD-14822'
p23955
S'C(O)C1(OC(C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OCC3(OC(C(O)C(O)C(O)3)OCC4(OC(C(O)C(O)C(O)4)OC5(C(C7(=C(OC=5C6(C=CC(O)=C(O)C=6))C=C(O)C=C(O)7))=O)))))'
p23956
sS'CPD-14820'
p23957
S'C(O)C1(OC(C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OC3(C(C5(=C(OC=3C4(C=CC(O)=C(O)C=4))C=C(O)C=C(O)5))=O)))'
p23958
sS'CPD-14821'
p23959
S'C(O)C1(OC(C(O)C(O)C(O)1)OCC6(OC(OCC2(OC(C(O)C(O)C(O)2)OC3(C(C5(=C(OC=3C4(C=CC(O)=C(O)C=4))C=C(O)C=C(O)5))=O)))C(O)C(O)C(O)6))'
p23960
sS'6S-6-FLUORO-EPSP'
p23961
S'C=C([O-])C(=O)OC1(C(C(=CC(C1O)OP(C)(=O)[O-])C(=O)[O-])F)'
p23962
sS'CPD-17525'
p23963
S'CC(C)CC(C(NC7(C(NC(CC(N)=O)C(NC9(C(NC2(C(NC(C(NC(C(O)=O)C3(C=C(C=C(C(C1(C(=CC=C(C=1)2)O))=3)O)O))=O)C(C4(C=CC(=C(C=4)Cl)OC5(=CC(=CC(=C5OC6(C(C(C(C(CO)O6)O)O)O))OC8(=CC=C(C7O)C=C8Cl))9)))OC%10(CC(C)(C(C(C)O%10)=O)N))=O))=O))=O)=O))=O)NC'
p23964
sS'CPD-14828'
p23965
S'C(C(O)COP([O-])(=O)[O-])OC(CCCCCCCCCCCCCCC(=O)[O-])=O'
p23966
sS'CPD-14829'
p23967
S'C[N+]3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC4(C=CC(=C(C(C=O)=4)OC)OC))'
p23968
sS'D-PROLINE'
p23969
S'C1([N+]C(CC1)C(=O)[O-])'
p23970
sS'CPD-12425'
p23971
S'CN(C)C1(=CC=C(NO)C=C1)'
p23972
sS'3-METHYLPHENYLITACONYL-COA'
p23973
S'CC4(C=C(C=C(CC([O-])=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])C=CC=4)'
p23974
sS'CHLORAMPHENICOL'
p23975
S'C(O)C(NC(=O)C(Cl)Cl)C(C1(C=CC(N(=O)=O)=CC=1))O'
p23976
sS'LIPOL-AMP'
p23977
S'C1(SSC(C1)CCCCCOP(OCC4(C(C(C(N3(C2(=C(C(=NC=N2)N)N=C3)))O4)O)O))([O-])=O)'
p23978
sS'CPD-16835'
p23979
S'CC(C)C1(C(=O)C(O)(C)[CH]3(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p23980
sS'5-BETA-SCYMNOL-SULFATE'
p23981
S'CC(CCC(O)C(COS([O-])(=O)=O)CO)[CH]1(CC[CH]2(C(C)1C(O)CC3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))'
p23982
sS'CPD-12426'
p23983
S'CN(C)C1(=CC=C(C=CC=O)C=C1)'
p23984
sS'CPD-13453'
p23985
S'C(O)C1(OC(O)C(OS(=O)(=O)[O-])C(C(O)1)OC2(OC(COS(=O)([O-])=O)C(O)C(O)C(OS(=O)(=O)[O-])2))'
p23986
sS'26-DIOXO-6-PHENYLHEXANOATE'
p23987
S'C1(C=CC(=CC=1)C(=O)CCCC(=O)C(=O)[O-])'
p23988
sS'CPD-18246'
p23989
S'CC6(OC5(C(=C(O)C4(C(O)=C(C3(=C(O)C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC=2C=C(OC)3))))C(OC)=CC=4C=5))C(=O)C=6))'
p23990
sS'KDO'
p23991
S'C(O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p23992
sS'CPD0-181'
p23993
S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)'
p23994
sS'CPD-5781'
p23995
S'CC6(OC(OCC4(OC(OC3(C(C1(C(=CC(=CC(O)=1)O)OC(C2(C=CC(=C(C=2)O)O))=3))=O))C(C(C4O)O)OC5(C(C(C(CO5)O)O)O)))C(C(C6O)O)O)'
p23996
sS'CPD-13456'
p23997
S'COC5(=CC4(C(C2(C=C1(C(OCO1)=CC=2)))=C3(C(=O)OCC3=C(O)C=4C=C(OC)5)))'
p23998
sS'CPD-18244'
p23999
S'CC6(OC5(C(=C(O)C4(=C(O)C(C3(C(O)=C2(C(O)=C1(C(OC(=CC(=O)1)C)=CC2=C(O)C(OC)=3))))=C(OC)C(O)=C4C=5))C(=O)C=6))'
p24000
sS'AS+5'
p24001
S'[As+++++]'
p24002
sS'CPD-9494'
p24003
S'COC1(=CC(=CC(=C1)O)O)'
p24004
sS'CPD-7249'
p24005
S'CCCCCCCCCCC1(C(=C(C(OC)=C(C(C)=1)O)OC)O)'
p24006
sS'CPD-14920'
p24007
S'CCCCCCCCCCCCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O)O'
p24008
sS'3-HYDROXYBENZOATE'
p24009
S'C([O-])(=O)C1(=CC(O)=CC=C1)'
p24010
sS'3-OH-BENZYL-ALCOHOL'
p24011
S'C(C1(C=CC=C(C=1)O))O'
p24012
sS'2-ACETO-2-HYDROXY-BUTYRATE'
p24013
S'CCC(O)(C(=O)[O-])C(C)=O'
p24014
sS'CPD-7240'
p24015
S'CC(C)C(O)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p24016
sS'CPD-7247'
p24017
S'CC(C=CC1(C(CCCC=1C)(C)C))=CC=CC(CCO)C'
p24018
sS'CPD-9144'
p24019
S'C(=CC=C(C(=O)[O-])O)[N+](=O)[O-]'
p24020
sS'CPD-14926'
p24021
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O'
p24022
sS'345-TRIHYDROXY-367-TRIMETHOXYFLAVO'
p24023
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(OC)=3)OC))'
p24024
sS'CDP-CHOLINE'
p24025
S'C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=CC(=NC2=O)N))'
p24026
sS'PENICILLIN-G'
p24027
S'CC3(C)(S[CH]2(N(C(=O)C(NC(=O)CC1(C=CC=CC=1))2)C(C(=O)[O-])3))'
p24028
sS'THIAMINE-PYROPHOSPHATE'
p24029
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p24030
sS'CPD-14293'
p24031
S'CCCCCCCCC=CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p24032
sS'CPD-18505'
p24033
S'CC2(C(O)CC1(COC(=O)C)(C4(C(OC(=O)C)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p24034
sS'CPD-9490'
p24035
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)OC6(C(C(C(C(O6)CO)O)O)O))C)C)C)(C)CO)O)C))))C'
p24036
sS'PENICILLIN-N'
p24037
S'CC2(C)(S[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C(C(=O)[O-])2))'
p24038
sS'CPD-18241'
p24039
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(O)C=C1C=2))C(=O)C=3))'
p24040
sS'CPD-18503'
p24041
S'CC(C)CC(=O)OC2(CC1(COC(=O)C)(C4(CC(O)C(OC1C=C(C)2)C3(OC3)4)(C)))'
p24042
sS'CPD-9491'
p24043
S'CC5(CC4(C3(=CCC2(C1(CCC(C(C1CCC2(C3(CCC4(C(C5)O)C)C)C)(C)COC6(C(C(C(C(O6)CO)O)O)O))O)C))))C'
p24044
sS'CPD0-1093'
p24045
S'C(C3(C(CC(N2(C1(C(=C(NCN=1)N)NC(=O)2)))O3)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O'
p24046
sS'CPD0-1090'
p24047
S'C(C(C(C(C(C([O-])=O)O)O)O)O)([O-])=O'
p24048
sS'CPD-15159'
p24049
S'CC(O)C(O)C2(N=C1(C(N=C(N)N=C1NC2)=O))'
p24050
sS'CPD0-1096'
p24051
S'C(OP([O-])(=O)[O-])C1(OC(OP([O-])(=O)[O-])C([N+])C(O)C(O)1)'
p24052
sS'CPD0-1095'
p24053
S'CC4([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC1(C(C(O)C(O1)N2(C=NC3(C2=NC=NC=3N)))O))=4)CC5(C(=NC(C)=NC=5)N))'
p24054
sS'CPD0-1094'
p24055
S'C(C3(C(CC(N2(C1(=C(C(NC=N1)=O)NC(=O)2)))O3)O))OP(OP([O-])([O-])=O)([O-])=O'
p24056
sS'CPD-15155'
p24057
S'C(C(C(=O)[O-])[N+])C1(=CC(=C2(C(=C1)SCC(C(=O)[O-])N2))O)'
p24058
sS'CPD-15154'
p24059
S'C(C(C(=O)[O-])[N+])C1(=CC(=C(C(=C1)SCC(C(=O)[O-])[N+])O)O)'
p24060
sS'CPD-15157'
p24061
S'C(=O)(NO)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p24062
sS'CPD-15156'
p24063
S'C1(C=C(C2(C(CC(CC(C=1)=2)O)=O))O)'
p24064
sS'CPD-15151'
p24065
S'CC([N+])(C)C'
p24066
sS'CPD-15153'
p24067
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(=O)C(C)=1)'
p24068
sS'CPD-15152'
p24069
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(=O)C=1)'
p24070
sS'CYCLOHEXANOL'
p24071
S'C1(CCC(CC1)O)'
p24072
sS'CPD-4571'
p24073
S'COC1(=CC(=C(C=C1)C2(C(C3(=C(C=C(C=C(OC2)3)OC4(C(C(C(C(O4)COC(=O)CC(=O)[O-])O)O)O))O))=O))OC)'
p24074
sS'CPD-9499'
p24075
S'COC1(C=C(C=C(C=1)O)OC)'
p24076
sS'CPD-9924'
p24077
S'C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])'
p24078
sS'CPD-9925'
p24079
S'CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C2(C=C(O)C1(=CC=CC=C1C(O)=2)))=O)COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]'
p24080
sS'CPD-9926'
p24081
S'C(S(=O)(=O)O[K])(P(O[K])(O[K])=O)CCCC2(C=C(OC1(=CC=CC=C1))C=CC=2)'
p24082
sS'CPD-9927'
p24083
S'CCCC2(C=CC(C1(=CC=C(CCCC(S(=O)(=O)O[K])P(O[K])(O[K])=O)C=C1))=CC=2)'
p24084
sS'CPD-9920'
p24085
S'C=CC1(C)(C[CH]2(C(=CC1)C3(CCC(O)C(C)(C)[CH](CC2)3)(C)))'
p24086
sS'CPD-9923'
p24087
S'C1(=CC(O)C(C(=O)[O-])C(=C1)C(=O)CCC(=O)[O-])'
p24088
sS'CPD-9928'
p24089
S'C(S(O[K])(=O)=O)(P(=O)(O[K])O[K])CCCC2(=CC=C(C1(=CC=CC=C1))C=C2)'
p24090
sS'CPD-9929'
p24091
S'C(P(O[K])(=O)O[K])(P(O[K])(O[K])=O)CCCC2(C=CC(C1(=CC=CC=C1))=CC=2)'
p24092
sS'CPD-12891'
p24093
S'CC3(CC[CH]1(C(C)(C)[CH]1C2([CH](CCC(C)=2)3)))'
p24094
sS'CPD-12892'
p24095
S'C=C(C)[CH]2(CCC(C)[CH]1(C(C(C)CC1)=C2))'
p24096
sS'CPD-12895'
p24097
S'CC(C)=CCCC(C)CC(=O)[O-]'
p24098
sS'CPD-12897'
p24099
S'CC(C)=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p24100
sS'CPD-12896'
p24101
S'CC(C)=CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]'
p24102
sS'CPD-12898'
p24103
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O'
p24104
sS'VIOMYCIN-P'
p24105
S'C(CCCC(C(NC1(C(NC(COP(=O)([O-])[O-])C(=O)NC(C(=O)NC(=CNC(N)=O)C(NC(C(=O)NC1)C2(CC(O)NC(=[N+])N2))=O)CO)=O))=O)[N+])[N+]'
p24106
sS'CPD-7659'
p24107
S'CC(CC1(C=CC=CC=1))[N+]'
p24108
sS'CPD-18892'
p24109
S'CCC5(C(C)C9(N6([Mg]27(N1(C(C(C)C(CCC(=O)OCC=C(C)CCC=C(C)CCCC(C)CCCC(C)C)C=1C4([C-](C(OC)=O)C(=O)C3(=C(C)C(N2C3=4)=CC5=6)))=CC8(=C(C)C(C(C)=O)=C(N78)C=9))))))'
p24110
sS'CPD-7654'
p24111
S'C(CC(C1(C(=CC=CC=1)N))=O)[N+]'
p24112
sS'CPD-7656'
p24113
S'C#CCN(CCCOC1(C=CC(=CC=1Cl)Cl))C'
p24114
sS'CPD-7657'
p24115
S'CC(CC1(C=CC=CC=1))(C)[N+]'
p24116
sS'CPD-7650'
p24117
S'COC1(C=C(C=CC=1O)CC[N+])'
p24118
sS'CPD-7651'
p24119
S'COC1(=C(C=CC(=C1)CC([O-])=O)O)'
p24120
sS'CPD-7652'
p24121
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(N)=CC=1))O2)'
p24122
sS'CPD-18066'
p24123
S'CCCCCCCCCCCC(O)CC(=O)NC1(C(OP([O-])([O-])=O)OC(C(O)C(OC(CC(O)CCCCCCCCCCC)=O)1)COC2(C(NC(CC(O)CCCCCCCCCCC)=O)C(OC(CC(O)CCCCCCCCCCC)=O)C(C(O2)COC3(C([O-])=O)(O[CH](C(C[N+])O)C(O)C(OP([O-])([O-])=O)C3))OP([O-])([O-])=O))'
p24124
sS'DEOXYURIDINE'
p24125
S'C1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p24126
sS'CPD-15808'
p24127
S'CC1(O)(CC(=O)C2(=C(C(C(OC)=O)1)C=C3(C(=C(O)2)C(=O)C4(=C(C(=O)3)C=CC=C(O)4))))'
p24128
sS'CPD0-2340'
p24129
S'[CH](N)=CC(=O)OO'
p24130
sS'CPD0-2347'
p24131
S'CC6(=C(C)C=C5(N4(C%11(OC(CO)C(OP(=O)(O[CH](C)CNC(=O)CCC1(C)(C(CC(=O)N)[CH]7(C%10(C)(C(CC(=O)N)(C)C(CCC(=O)N)C(C(C)=C9(C(CC(=O)N)(C)C(CCC(=O)N)C(C=C8(C(C)(C)C(CCC(=O)N)C(C(C)=C1N([Co+](CCCCCN2(C=NC3(=C2N=CN=C(N)3)))N(=C4)C5=C6)7)=N8))=N9))=N%10))))O)C(O)%11))))'
p24132
sS'CPDQT-41'
p24133
S'CSCCCCCCCCC(=O)C([O-])=O'
p24134
sS'CPDQT-40'
p24135
S'CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p24136
sS'PANTOYL-LACTONE'
p24137
S'CC1(COC(C1O)=O)C'
p24138
sS'CPD-10160'
p24139
S'CC2(C1(C=CCCC(C)1CCC2))'
p24140
sS'CPD1G-2'
p24141
S'CC(=O)NC(CS)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p24142
sS'CPD-19017'
p24143
S'CC(C(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O)C'
p24144
sS'METHYL-ACETATE'
p24145
S'CC(=O)OC'
p24146
sS'4-AMINO-BUTYRALDEHYDE'
p24147
S'C(C[N+])CC=O'
p24148
sS'3-DEMETHYLSTAUROSPORINE'
p24149
S'CC18(OC(CC([N+]C)C(O)1)N7(C2(C=CC=CC=2C6(C3(C(=O)NCC=3C5(C4(C=CC=CC=4N(C=5C=67)8)))))))'
p24150
sS'CPD-1861'
p24151
S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)[S-])'
p24152
sS'CODEINONE'
p24153
S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(=O)4)=CC=C(OC)5))))'
p24154
sS'CPD1G-1'
p24155
S'CC(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p24156
sS'CPD-17876'
p24157
S'C(=O)(N)C1(=C([O-])CC2(O)(C(C1=O)C(=O)C4(C(C2)=CC3(C(=C(O)C=C(O)C=3)C(O)=4))))'
p24158
sS'CPD-339'
p24159
S'C(OP([O-])(=O)[O-])C(C(C(C(C([O-])=O)=O)O)O)O'
p24160
sS'CPD-338'
p24161
S'C(=O)([O-])CCCCC[CH]=O'
p24162
sS'BENZENESULFONATE'
p24163
S'C1(=CC=C(C=C1)S(=O)([O-])=O)'
p24164
sS'CPD-10168'
p24165
S'CC(=O)CCC1(C2(C(OC(O)1)=CC3(=C(C(O)=2)C(=O)C4(=C(C(=O)3)C=C([O-])C=C(O)4))))'
p24166
sS'THIALYSINE'
p24167
S'C(SCC([N+])C(=O)[O-])C[N+]'
p24168
sS'CPD-331'
p24169
S'CC(C(O)CCC(O)(C)C)[CH]1(CCC3(O)(C(C)1CC[CH]2(C4(C)(CC(C(=O)C[CH](C(=O)C=C23)4)O))))'
p24170
sS'CPD-333'
p24171
S'C([O-])(=O)CCCC(C([O-])=O)O'
p24172
sS'CPD-332'
p24173
S'CC(CO)CCNC2(=NC=NC1(=C(N=CN1)2))'
p24174
sS'CPD-335'
p24175
S'CC(CC([O-])=O)O'
p24176
sS'CPD-334'
p24177
S'C(C(C(C(C(C([O-])=O)=O)=O)O)O)O'
p24178
sS'CPD-337'
p24179
S'C(CCCCCC(C(=O)[O-])=O)([O-])=O'
p24180
sS'CPD-336'
p24181
S'C(CCCCC(C(C(=O)[O-])O)C(=O)[O-])(=O)[O-]'
p24182
sS'L-CYSTEATE'
p24183
S'C(C([N+])C(=O)[O-])S(=O)(=O)[O-]'
p24184
sS'PYRIDOXINE-5P'
p24185
S'CC1(=NC=C(COP([O-])(=O)[O-])C(=C(O)1)CO)'
p24186
sS'CPD-12968'
p24187
S'C(C(O)P([O-])(=O)O)O'
p24188
sS'CPD-19018'
p24189
S'CC(CC(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O)C'
p24190
sS'CPD-19019'
p24191
S'CCC(C)C(OC2(C(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)2)O)CO))=O'
p24192
sS'CPD-14191'
p24193
S'C(NC(=O)CCC([N+])C([O-])=O)CC(O)C(=O)NC3(CC([N+])C(OC1(OC(C[N+])C(O)C(O)C([N+])1))C(OC2(C(O)C(O)C(CO)O2))C(O)3)'
p24194
sS'CPD-11260'
p24195
S'C(O)CC=CCC1(C(=O)CCC1CC([O-])=O)'
p24196
sS'CPD-19010'
p24197
S'CC1(C)(OC1)'
p24198
sS'CPD-19011'
p24199
S'CC(C)(C)OC'
p24200
sS'CPD-19012'
p24201
S'CC(C)(C)O'
p24202
sS'CPD-19013'
p24203
S'CC(O)(C)CO'
p24204
sS'CPD-19014'
p24205
S'CC(O)(C)C(=O)[O-]'
p24206
sS'CPD-11268'
p24207
S'CC(=O)NCCC[N+]CCCC[N+]CCCNC(=O)C'
p24208
sS'CPD-9542'
p24209
S'CCCCSC(=NC1(=CN=CC=C1))SCC2(C=CC(=CC=2)C(C)(C)C)'
p24210
sS'CPD-9543'
p24211
S'CC(CC1(C=CC(=CC=1)C(C)(C)C))C[N+]2(CC(C)OC(C)C2)'
p24212
sS'CPD-10809'
p24213
S'C(NC1(N=C(NC(=O)C(N)=1)N))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p24214
sS'CPD-9546'
p24215
S'C1(=CC=C2(NC3(=CC(C=CC(=NC(=C1)2)3)=O)))'
p24216
sS'CPD-9547'
p24217
S'C(C3(=C2(NC1(=CC=CC=C1N=C2C=CC3=O))))([O-])=O'
p24218
sS'CPD-9544'
p24219
S'C=C(CO)C1(CC2(C(O1)=CC=C5(C=2O[CH]4(COC3(C=C(C(=CC=3[CH]4C5=O)OC)OC)))))'
p24220
sS'CPD-9549'
p24221
S'CC1(OC(C(OC1=O)C)=O)'
p24222
sS'CPD-2462'
p24223
S'C(=O)([O-])C(C([O-])=O)C1(C=CC=CC=1)'
p24224
s.