(dp0
I0
(S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(O)=CC=1))O2)'
p1
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)'
p2
tp3
sI1
(S'COC1(C=C(C=C(OC)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p4
S'COC1(C=C(C=C(OC)C(OC)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p5
tp6
sI2
(S'CC12(CCCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))'
p7
S'CC12([CH]CCC3(OC1=O)([CH]2C(C45(CC(CC[CH]34)C(O)(C5)CO))C([O-])=O))'
p8
tp9
sI3
(S'C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p10
S'C(SS([O-])=O)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p11
tp12
sI4
(S'C(C1(C=CCC2(=C1NC3(C=CC=CC(N2)=3))))(=O)[O-]'
p13
S'C(C1(=CC=CC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p14
tp15
sI5
(S'CC(O)(CCOP(=O)([O-])[O-])CC(=O)[O-]'
p16
S'C=C(CCOP(=O)([O-])[O-])C'
p17
tp18
sI6
(S'CCCCCC(O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p19
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)))'
p20
tp21
sI7
(S'C(C(=CC=C(O)C(=O)[O-])Cl)(=O)[O-]'
p22
S'C(C(C=CC(=O)C(=O)[O-])Cl)(=O)[O-]'
p23
tp24
sI8
(S'CCC(O)(C)C(C([O-])=O)O'
p25
S'CCC(O)(C(=O)[O-])C(C)=O'
p26
tp27
sI9
(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))'
p28
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))'
p29
tp30
sI10
(S'CC(C(=O)[O-])C(C)(O)C(=O)[O-]'
p31
S'CC(=C(C)C(=O)[O-])C(=O)[O-]'
p32
tp33
sI11
(S'C1(CCCC(C([O-])=O)[N+]1)'
p34
S'C(C1(CCCC=N1))([O-])=O'
p35
tp36
sI12
(S'CC(=O)N(O)CCCCC([N+])C(=O)[O-]'
p37
S'CC(=O)N(CCCCC(NC(CC(C(=O)[O-])(O)CC([O-])=O)=O)C(=O)[O-])O'
p38
tp39
sI13
(S'C(CO)[N+](C)(C)C'
p40
S'C[N+](C)C'
p41
tp42
sI14
(S'CC(C)=CCC2(C(O)=CC1(OC(=O)C=CC=1C=2))'
p43
S'CC(O)(C)C1(OC3(C(C1)=CC2(=C(OC(=O)C=C2)C=3)))'
p44
tp45
sI15
(S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p46
S'C2(NC1(C(=CC=CC=1)C=2C3(=CC(=NC(=O)3)C4(C5(=C(NC=4)C=CC=C5)))))'
p47
tp48
sI16
(S'C([O-])(=O)C(C(=O)C(=O)[O-])CC1(C=CC=CC=1)'
p49
S'C(=O)([O-])C(=O)CCC1(C=CC=CC=1)'
p50
tp51
sI17
(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))))'
p52
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))))'
p53
tp54
sI18
(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))))'
p55
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))))'
p56
tp57
sI19
(S'C[CH]=C5([CH]4([CH](CO)[CH]3(N([CH](C2(NC1(C(=CC=CC=1)C=2C3)))C4)C5)))'
p58
S'C[CH]=C5(CN1([CH]4(C[CH]([CH](CO)[CH]1CC3(=C(NC2(C(=CC(O)=CC=2)3))4))5)))'
p59
tp60
sI20
(S'C(CC=O)CCC(=O)[O-]'
p61
S'C(CC([O-])=O)CCC(=O)[O-]'
p62
tp63
sI21
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC(C)2[CH]3CC4))))'
p64
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))'
p65
tp66
sI22
(S'COC1(=CC(=CCCO)C=CC(=O)1)'
p67
S'COC1(=CC(=CC=C(O)1)C4(OC[CH]3(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p68
tp69
sI23
(S'C(NC1(=C(N)C=CC=C1))C(=O)C(=O)[O-]'
p70
S'C([O-])(=O)C1(CNC2(=CC=CC=C(N=1)2))'
p71
tp72
sI24
(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)))'
p73
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)'
p74
tp75
sI25
(S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C=2[O-])=O)O)O)))C=C(C=3O)O)'
p76
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)))'
p77
tp78
sI26
(S'C1(C(C(C(C(O1)O)O)O)O)'
p79
S'C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p80
tp81
sI27
(S'CC(O)(C)C1(OC3(C(C1)=CC2(=C(OC(=O)C=C2)C=3)))'
p82
S'C3(C2(C=C1(C(OC=C1)=CC=2OC(C=3)=O)))'
p83
tp84
sI28
(S'[CH](=O)C=CC1(=CC(O)OC(C([O-])=O)=C1)'
p85
S'[CH](=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p86
tp87
sI29
(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))))'
p88
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)'
p89
tp90
sI30
(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))'
p91
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)))'
p92
tp93
sI31
(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))))'
p94
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)'
p95
tp96
sI32
(S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p97
S'CC(=CC([O-])=O)C=CC1(O)(C(C)=CC(=O)CC(CO)(C)1)'
p98
tp99
sI33
(S'C(CC1(=CC(C(C=C1)=O)=O))[N+]'
p100
S'C2(CC1(=CC(C(C=C1N2)O)O))'
p101
tp102
sI34
(S'C[CH]=C5([CH]4([CH](CO)[CH]3(N([CH](C2(NC1(C(=CC=CC=1)C=2C3)))C4)C5)))'
p103
S'C[CH]=C5(CN1([CH]4(C[CH]([CH]([CH]=O)[CH]1CC3(=C(NC2(=C(C=CC=C2)3))4))5)))'
p104
tp105
sI35
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p106
S'CC(C([O-])=O)NC(CC2(C1(C=CC=CC=1NC=2)))=O'
p107
tp108
sI36
(S'CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p109
S'C(O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p110
tp111
sI37
(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'
p112
S'CC1(C(CCC2(C3(C(CCC12)(C4(C(=CC3)C5(C(CC4)(CCC(C5)(CO)C)C))C)C))C)O)C'
p113
tp114
sI38
(S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O'
p115
S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p116
tp117
sI39
(S'CC(=O)NC1(C(=O)NC(=CS)C(S)=1)'
p118
S'CC(=O)NC1(C(=O)NC2(=CSSC=12))'
p119
tp120
sI40
(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)))))'
p121
S'C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))'
p122
tp123
sI41
(S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(C5(C(NC=4)=CC=CC=5)))'
p124
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)))'
p125
tp126
sI42
(S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p127
S'C1(C(C(C(C(C1=O)=O)O)O)O)'
p128
tp129
sI43
(S'CCNC1(N=C(N=C(N=1)N)Cl)'
p130
S'CCNC1(N=C(N=C(N)N=1)O)'
p131
tp132
sI44
(S'C(C(O)[CH]1(OC(=O)C(O)C(=O)1))O'
p133
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p134
tp135
sI45
(S'COC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C(O)5)'
p136
S'C6(OC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C5O6))'
p137
tp138
sI46
(S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p139
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'
p140
tp141
sI47
(S'C(CCCCCC(C(=O)[O-])=O)([O-])=O'
p142
S'C(=O)([O-])CCCCC[CH]=O'
p143
tp144
sI48
(S'C(O)C1(OCC(O)C(O)C(O)1)'
p145
S'C(C1(C(C(C(CO1)=O)O)O))O'
p146
tp147
sI49
(S'C1(C=C(O)C=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p148
S'C1(=CC(O)=CC=C1C(=O)[C-]C(=O)C2(=C(O)C=C(O)C=C(O)2))'
p149
tp150
sI50
(S'C=C(C)C1(CCC(C)=CCCC(C)=CC1)'
p151
S'CC1(=CCCC(C)=CCC(C(CO)=C)CC1)'
p152
tp153
sI51
(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))'
p154
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))'
p155
tp156
sI52
(S'C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC=C(C)C'
p157
S'CC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(C)C)C)(C1COP(OP([O-])([O-])=O)([O-])=O)C))C)C)C'
p158
tp159
sI53
(S'C[N+]3(C1(C4(C(C2(=C(C1)C=CC(=C2O)OC))(CC3)C=C(C(C=4)O)OC)))'
p160
S'CC(OC3(C(OC)=CC12(C4(=C(CC([N+](CC1)C)C2=C3)C=CC(=C4O)OC))))=O'
p161
tp162
sI54
(S'C1(C(=O)NC(=O)N(C)1)'
p163
S'CN(CC(=O)[O-])C(N)=O'
p164
tp165
sI55
(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)))'
p166
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))'
p167
tp168
sI56
(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)))'
p169
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)'
p170
tp171
sI57
(S'C3(OC1(=C(C=CC(O)=C1)C(=O)C(C2(=C(C=C(OC)C=C2)O))3))'
p172
S'COC3(=CC(O)=C(C2(C(C1(=C(C=C(C=C1)O)OC=2))=O))C=C3)'
p173
tp174
sI58
(S'C1(C=CC(Cl)=CC=1)'
p175
S'C1(=CC(O)C(O)C(=C1)Cl)'
p176
tp177
sI59
(S'C(S([O-])(=O)=O)C1(OC(O)(CO)C(O)C(O)1)'
p178
S'C(S(=O)(=O)[O-])C1(OC(O)(COP([O-])(=O)[O-])C(O)C(O)1)'
p179
tp180
sI60
(S'C1(=NC(CC1)C(=O)[O-])'
p181
S'C(CC([N+])C([O-])=O)[CH]=O'
p182
tp183
sI61
(S'CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O'
p184
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CC(=O)[O-]'
p185
tp186
sI62
(S'CC(C=CC1(C2(CC(CC1(C)OC2)O)(C))O)=CC([O-])=O'
p187
S'CC(C=CC1(C2(CC(CC1(C)OC2)=O)(C))O)=CC([O-])=O'
p188
tp189
sI63
(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'
p190
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'
p191
tp192
sI64
(S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC(O)=C(C(O)=3)O)'
p193
S'C1(C(O)=C(O)C(O)=CC=1C2(C([O-])=CC3(=C([O+]=2)C=C(O)C=C([O-])3)))'
p194
tp195
sI65
(S'CC=CSO'
p196
S'CCC=[S+][O-]'
p197
tp198
sI66
(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)'
p199
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)))'
p200
tp201
sI67
(S'C([O-])(=O)C1(CNC2(=CC=CC=C(N=1)2))'
p202
S'C([O-])(=O)C1(C=NC2(=CC=CC=C(N=1)2))'
p203
tp204
sI68
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p205
S'C2(C=CC(C=CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))=CC=2)'
p206
tp207
sI69
(S'C1(=CC=C(C=C1)[N+]([O-])=O)'
p208
S'C1(=CC=C(C=C1)NO)'
p209
tp210
sI70
(S'C=C[CH]1(CN2(CCC3(C4(C=CC=CC(NC([CH](C[CH]1C[CH]=O)2)=3)=4))))'
p211
S'C=CC4(CN3(CCC(CC(C(=O)C2(=CC=NC1(=C(C=CC=C1)2)))3)4))'
p212
tp213
sI71
(S'CC1(C=C(Cl)C(O)=C(O)C(Cl)=1)'
p214
S'CC(=C(C([O-])=O)Cl)C=C(C([O-])=O)Cl'
p215
tp216
sI72
(S'CC1(C=CC=CC=1)'
p217
S'CC1(C=CC(=CC=1)O)'
p218
tp219
sI73
(S'CC2(CCC1(C)(C4(C(O)CC(OC1C=2)C3(OC3)4)(C)))'
p220
S'CC2(CCC1(C)(C4(C(OC(=O)C)CC(OC1C=2)C3(OC3)4)(C)))'
p221
tp222
sI74
(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)))'
p223
S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p224
tp225
sI75
(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'
p226
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'
p227
tp228
sI76
(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)'
p229
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)'
p230
tp231
sI77
(S'C2(=C(C1(C=CC=CC=1N2))C(C(COP([O-])(=O)[O-])O)O)'
p232
S'C2(C=CC1(=C(C=CN1)C=2))'
p233
tp234
sI78
(S'CCC(O)C=CC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p235
S'CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCCC(=O)[O-]'
p236
tp237
sI79
(S'C(O)C2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p238
S'C1(SC2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))'
p239
tp240
sI80
(S'C(O)(O)C1(OC([CH]=O)=CC=1)'
p241
S'C([O-])(=O)C1(OC([CH]=O)=CC=1)'
p242
tp243
sI81
(S'COC3(C=CC(C2(C(OC1(=C(C=CC(O)=C1)C(=O)2))O))=CC=3)'
p244
S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p245
tp246
sI82
(S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p247
S'C(O)C1(OC(C(O)C(O)C(O)1)OC(=O)CC2(C(=O)NC3(C2=CC=CC=3)))'
p248
tp249
sI83
(S'CC(C)C(=O)C=CC(C(=O)[O-])=C(O)C([O-])=O'
p250
S'CC(C)C(=O)C=CC=C(O)C([O-])=O'
p251
tp252
sI84
(S'C[As](O)O'
p253
S'C[As](C)(=O)[O-]'
p254
tp255
sI85
(S'C1(NC=NC(CC(=O)C(=O)[O-])=1)'
p256
S'C1(=C(CC(O)C([O-])=O)NC=N1)'
p257
tp258
sI86
(S'C(=O)([O-])CC1(Cl)(OC(=O)C(Cl)=C1)'
p259
S'C1(=C(Cl)C(=O)OC(=CC(=O)[O-])1)'
p260
tp261
sI87
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC=C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p262
S'C=C1(C4(O)(CC5(C1)(C([CH]6(C3(C(=O)OC(CC2(OC23))([CH](CC4)5)6)(C)))C([O-])=O)))'
p263
tp264
sI88
(S'COC2(C=C(C=CC(=CC(C=CC1(C=C(C(=CC=1)O)OC))=O)O)C=CC(O)=2)'
p265
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)'
p266
tp267
sI89
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CO'
p268
S'C(O)C(=O)C(O)C(O)COP(=O)([O-])[O-]'
p269
tp270
sI90
(S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p271
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p272
tp273
sI91
(S'C(C1(=CC=CC=C1O))([O-])=O'
p274
S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p275
tp276
sI92
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p277
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p278
tp279
sI93
(S'CC(C3(CCC2(C1(C(C(CCC1)(CO)C)CCC=2C=3)C)))C'
p280
S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC=2C=3)C)))C'
p281
tp282
sI94
(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))'
p283
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))'
p284
tp285
sI95
(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))))'
p286
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)'
p287
tp288
sI96
(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))'
p289
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)))'
p290
tp291
sI97
(S'C[As](=O)([O-])O'
p292
S'C[As](O)O'
p293
tp294
sI98
(S'C([O-])(=O)C1(NC2(=C(C1)C=C(O)C(O)=C2))'
p295
S'C(C3(C(C(C(C(OC1(=CC2(CC(NC(C=C1O)=2)C([O-])=O)))O3)O)O)O))O'
p296
tp297
sI99
(S'C(=CC1(=CC=C(O)C=C1))CO'
p298
S'C(=O)C=CC1(C=CC(O)=CC=1)'
p299
tp300
sI100
(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))'
p301
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))'
p302
tp303
sI101
(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))))))))'
p304
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))))'
p305
tp306
sI102
(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)'
p307
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)'
p308
tp309
sI103
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p310
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)))'
p311
tp312
sI104
(S'C4(C=C3(C(=O)[CH](C2(OC1(C=CC(=O)C=C1)2))OC3=CC(O)=4))'
p313
S'C(OC1(C=CC(O)=CC=1))=C2(OC3(C(C(=O)2)=CC=C(O)C=3))'
p314
tp315
sI105
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p316
S'CC(C)CCCC([CH]4(C1(C)(C(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))=CC4)))C'
p317
tp318
sI106
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)O))'
p319
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC))'
p320
tp321
sI107
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(O)2)[O-]))'
p322
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C1(C=CC=CC=1[N+](=C(C)C(O)=2)[O-]))'
p323
tp324
sI108
(S'C([O-])(=O)C1(CC1)[N+]'
p325
S'C=C'
p326
tp327
sI109
(S'C3(C=CC2(=C(C1(C=CC=CC=1S2=O))C=3))'
p328
S'C3(C=CC2(=C(C1(C=CC=CC=1S2(=O)=O))C=3))'
p329
tp330
sI110
(S'C[N+](CC(O)CC(=O)[O-])(C)C'
p331
S'C(C(=O)CC(=O)[O-])[N+](C)(C)C'
p332
tp333
sI111
(S'C(OP([O-])(=O)[O-])C1(C([S-])=C(S)[CH]2([CH](O1)NC3(=C(N2)C(=O)NC(N)=N3)))'
p334
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)))'
p335
tp336
sI112
(S'C1(C=C(C(=CC(O)=1)O)O)'
p337
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p338
tp339
sI113
(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)))))'
p340
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)))))'
p341
tp342
sI114
(S'C([O-])(=O)C1(C(O)=CC2(C=CC=CC(N=1)=2))'
p343
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'
p344
tp345
sI115
(S'CCCCCC(C=CC=CCCCCCCCC(=O)[O-])OO'
p346
S'CCCCC=COC=CC=CCCCCCCCC([O-])=O'
p347
tp348
sI116
(S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(CC2(=CC=C(OC)C=C2))3))'
p349
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=C(OC)C=C2))3))'
p350
tp351
sI117
(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'
p352
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'
p353
tp354
sI118
(S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O'
p355
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)'
p356
tp357
sI119
(S'C1(C(C(C(C(C1O)O)O)O)O)[N+]'
p358
S'C1(C(C(C(C(C1O)O)OP([O-])([O-])=O)O)O)[N+]'
p359
tp360
sI120
(S'C(CC1(OC(C=C1)=O)C([O-])=O)([O-])=O'
p361
S'C(C=CC(C(=O)[O-])=CC(=O)[O-])([O-])=O'
p362
tp363
sI121
(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'
p364
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'
p365
tp366
sI122
(S'CCNC1(N=C(N=C(N)N=1)O)'
p367
S'CCNC1(N=C(N=C(N=1)O)O)'
p368
tp369
sI123
(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'
p370
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p371
tp372
sI124
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p373
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p374
tp375
sI125
(S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p376
S'C1(=NC2(=C(NC1)N=C(N)NC(=O)2))'
p377
tp378
sI126
(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)))))'
p379
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)))))'
p380
tp381
sI127
(S'C(CS(=O)(=O)[O-])SCC(Cl)O'
p382
S'[CH](=O)CSCCS(=O)(=O)[O-]'
p383
tp384
sI128
(S'C([O-])(=O)C1(=CC(O)=CC=C1)'
p385
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p386
tp387
sI129
(S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p388
S'C1(NC=NC=1C=CC([O-])=O)'
p389
tp390
sI130
(S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))O'
p391
S'C(O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p392
tp393
sI131
(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))))'
p394
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))))'
p395
tp396
sI132
(S'CCCCCCCCCCCCCCCC([O-])=O'
p397
S'C(CCCCCCCCCCCCCCC([O-])=O)O'
p398
tp399
sI133
(S'C1(=C(C=CC(=C1)O)C2(OC3(C(C(C2O)=O)=C(O)C=C(O)C=3)))'
p400
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p401
tp402
sI134
(S'CCCC1(C[N+]C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))'
p403
S'CCCC1(C[N+](C)C(C1)C(=O)NC(C(O)C)C2(C(O)C(C(O)C(SC)O2)O))'
p404
tp405
sI135
(S'CC(=O)C1(CCNC2(=NC(N)=NC(=O)C(N=1)2))'
p406
S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p407
tp408
sI136
(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'
p409
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'
p410
tp411
sI137
(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))'
p412
S'C1(=C(CC(=O)[O-])C3(C=CC=CC(N1C2(C(C(C(C(O2)CO)O)O)O))=3))'
p413
tp414
sI138
(S'CC1(=CC(CC(C(=O)[O-])[N+])=CC(O)=C1O)'
p415
S'CC1(=CC(CC(C(=O)[O-])[N+])=CC(O)=C1OC)'
p416
tp417
sI139
(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)))))'
p418
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)))))'
p419
tp420
sI140
(S'C=C1(CC(C(C([O-])=O)=O)1)'
p421
S'C=C1(C(C(O)(C(=O)[O-])CC([O-])=O)C1)'
p422
tp423
sI141
(S'C1(C(Cl)=C(C(=C(Cl)C=1)O)O)'
p424
S'C([O-])(=O)C(Cl)=CC=C(C(=O)[O-])Cl'
p425
tp426
sI142
(S'C1(C2(CC3(CC1CC(C2)C3=O)))'
p427
S'C2(C3(CC1(C(=O)OC(CC(C1)2)C3)))'
p428
tp429
sI143
(S'CC(=O)C([N+])C([O-])=O'
p430
S'CC(C[N+])=O'
p431
tp432
sI144
(S'CC(CO)O'
p433
S'CC[CH]=O'
p434
tp435
sI145
(S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p436
S'C1(C=CC(=CC=1)C2(=CC(=O)C3(C(O2)=CC(=O)C(=O)C(O)=3)))'
p437
tp438
sI146
(S'CC(C)[CH]=NO'
p439
S'CC([CH]=NO)C'
p440
tp441
sI147
(S'CC1(=C([O-])C(=O)CO1)'
p442
S'CCCC=C1(C(=O)C([O-])=C(C)O1)'
p443
tp444
sI148
(S'C1(CC=NN1)'
p445
S'C1(=NNC=C1)'
p446
tp447
sI149
(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))))'
p448
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))))'
p449
tp450
sI150
(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-])))'
p451
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)))'
p452
tp453
sI151
(S'C([O-])(=O)C(=O)CC1(C(=O)[O-])(CCC(O)C=C1)'
p454
S'C([O-])(=O)C(=O)CC1(CCC=CC=1)'
p455
tp456
sI152
(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)'
p457
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)'
p458
tp459
sI153
(S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p460
S'CCCCCC(O)C=CC1(C(CC=CCCCC(=O)[O-])C(=O)CC(O)1)'
p461
tp462
sI154
(S'C1(CC(C(CC([N+]([O-])=O)1)[N+](=O)[O-])=O)'
p463
S'C([N+]([O-])=O)CC([N+]([O-])=O)CCC([O-])=O'
p464
tp465
sI155
(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)'
p466
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)'
p467
tp468
sI156
(S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p469
S'C(C(O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]'
p470
tp471
sI157
(S'C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)'
p472
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p473
tp474
sI158
(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'
p475
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'
p476
tp477
sI159
(S'CCCCCCCCC([N+])C([O-])=O'
p478
S'CCC(O)CCCCCC([N+])C([O-])=O'
p479
tp480
sI160
(S'C([N+])CCCN(O)C(=O)CCC(=O)[O-]'
p481
S'C([N+])C(O)CCN(O)C(=O)CCC(=O)[O-]'
p482
tp483
sI161
(S'C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)'
p484
S'C([O-])(=O)C1(=CC(=O)C(O)C(=O)C1)'
p485
tp486
sI162
(S'C(CO)O'
p487
S'C(O)[CH]=O'
p488
tp489
sI163
(S'CS(=O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p490
S'C(O)CCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p491
tp492
sI164
(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-]))'
p493
S'C(O)C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p494
tp495
sI165
(S'CC1(O)(OCC(O)C(=O)1)'
p496
S'CC1(O)(OCC(O)C(O)(O)1)'
p497
tp498
sI166
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p499
S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C=2[O-])=O)O)O)))C=C(C=3O)O)'
p500
tp501
sI167
(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)))'
p502
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)))'
p503
tp504
sI168
(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))))'
p505
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))))'
p506
tp507
sI169
(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)))'
p508
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)))'
p509
tp510
sI170
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p511
S'C(C(O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]'
p512
tp513
sI171
(S'CC(=O)NC(CCCC([N+])C(=O)[O-])C(=O)[O-]'
p514
S'C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O'
p515
tp516
sI172
(S'C4(C=CC(C3(C=CC2(C=CC=C1(C=C([O-])C(=O)C(C1=2)=3))))=CC=4)'
p517
S'COC1(C(=O)C2(C4(C(C=1)=CC=CC(C=CC=2C3(C=CC=CC=3))=4)))'
p518
tp519
sI173
(S'CC(C)(O)C(O)C(=O)[O-]'
p520
S'CC(=O)C(C)(O)C(=O)[O-]'
p521
tp522
sI174
(S'CC(O)(CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p523
S'CC(=CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p524
tp525
sI175
(S'C(C=C(C([O-])=O)N)=C[CH]=O'
p526
S'C([O-])(=O)C=CC=C(N)C(=O)[O-]'
p527
tp528
sI176
(S'C(CCCC(C(O)C(=O)[O-])C(=O)[O-])([O-])=O'
p529
S'C(=O)([O-])CCCCC(=O)C([O-])=O'
p530
tp531
sI177
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p532
S'CC(C)=CCC1(C=C(C=CC(O)=1)C2(C(C3(=C(OC=2)C=C(C=C3O)[O-]))=O))'
p533
tp534
sI178
(S'C([N+](C)(C)C)COP([O-])(=O)OCC(O)CO'
p535
S'C(CO)[N+](C)(C)C'
p536
tp537
sI179
(S'C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]'
p538
S'C(OC(CC(C(=O)[O-])(O)CC(=O)[O-])=O)C([N+])C(=O)[O-]'
p539
tp540
sI180
(S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p541
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)))'
p542
tp543
sI181
(S'CSCCC(CC([O-])=O)(O)C(=O)[O-]'
p544
S'CSCCC(C(=O)[O-])C(O)C([O-])=O'
p545
tp546
sI182
(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-])))'
p547
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)'
p548
tp549
sI183
(S'CC1(C([N+](=O)[O-])=CC(NO)=CC([N+]([O-])=O)=1)'
p550
S'CC1(C([N+](=O)[O-])=CC([N+])=CC([N+]([O-])=O)=1)'
p551
tp552
sI184
(S'COC1(=CC(=C(C=C1)C2(C(C3(=CC=C(C=C(OC2)3)O))O))O)'
p553
S'C3(OC1(=C(C=CC(O)=C1)C(=O)C(C2(=C(C=C(OC)C=C2)O))3))'
p554
tp555
sI185
(S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p556
S'C(=O)([O-])C=C(CC(C([O-])=O)=O)C([O-])=O'
p557
tp558
sI186
(S'C=C1(CC(CC(=O)C(=O)[O-])1)'
p559
S'C=C1(C(CC([N+])C([O-])=O)C1)'
p560
tp561
sI187
(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))))))'
p562
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))'
p563
tp564
sI188
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p565
S'C(=O)C(CC([N+])C(=O)[O-])=CC=C(C(=O)[O-])O'
p566
tp567
sI189
(S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CCC3)))'
p568
S'C=CC1(C(C)[CH]2([CH](C(O)C=1)C3(C)([CH](CC2)C(C)(C)CCC3)))'
p569
tp570
sI190
(S'C(O)C2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)'
p571
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'
p572
tp573
sI191
(S'C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p574
S'C([O-])(=O)C1(C=CC([N+]([O-])=O)=CC=1)'
p575
tp576
sI192
(S'CC(C)=CCC1(=CC=CC2(=C1C(=CN2)CC(NC)C(=O)[O-]))'
p577
S'CC(CO)=C[CH]1(C(CC3(C2(C1=CC=CC=2NC=3)))[N+]C)'
p578
tp579
sI193
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p580
S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p581
tp582
sI194
(S'CCCC1(C(=O)C([O-])=C(C)O1)'
p583
S'CCC=C1(C(=O)C([O-])=C(C)O1)'
p584
tp585
sI195
(S'CC(=O)C(C)(O)C(=O)[O-]'
p586
S'CC(C(C)=O)=O'
p587
tp588
sI196
(S'CC1(=C([N+]([O-])=O)C=CC=C1[N+](=O)[O-])'
p589
S'CC1(C(=C(C=CC=1[N+](=O)[O-])O)O)'
p590
tp591
sI197
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C(CC(O)2)=C(O)C=C(O)C=3)))'
p592
S'C1(C(O)=C(O)C(O)=CC=1C2(C([O-])=CC3(=C([O+]=2)C=C(O)C=C([O-])3)))'
p593
tp594
sI198
(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)))'
p595
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))))'
p596
tp597
sI199
(S'CC1(N=CC(COP(=O)([O-])[O-])=C(N=1)N)'
p598
S'CC1(N=C(N)C(=CN=1)COP(OP([O-])([O-])=O)([O-])=O)'
p599
tp600
sI200
(S'C(N)CCCN(O)C(=O)CCC(=O)NCCCCN(O)C(CCC(O)=O)=O'
p601
S'C1(CCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)N1)'
p602
tp603
sI201
(S'CCCCCC=CCC=CCCCCCCCC([O-])=O'
p604
S'CCCCCC(C=CC=CCCCCCCCC(=O)[O-])OO'
p605
tp606
sI202
(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'
p607
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'
p608
tp609
sI203
(S'CC(C)C(N(O)O)C([O-])=O'
p610
S'CC(C)[CH]=NO'
p611
tp612
sI204
(S'CC1(=CC(=C(C)C=C1)O)'
p613
S'CC1(C=CC(CO)=CC=1O)'
p614
tp615
sI205
(S'C(C(C1(C=CC(O)=CC=1))=O)(=O)[O-]'
p616
S'[CH](C1(C=CC(O)=CC=1))=O'
p617
tp618
sI206
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p619
S'C=C3(C2(CCC4(C15(CCC(C(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)O))))'
p620
tp621
sI207
(S'[CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])'
p622
S'C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)'
p623
tp624
sI208
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p625
S'C(NC(C=CC1(C=CC=CC=1))=O)CC2(C=CC(O)=CC=2)'
p626
tp627
sI209
(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'
p628
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))))'
p629
tp630
sI210
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C'
p631
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)'
p632
tp633
sI211
(S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p634
S'C([N+])CC1(=CC=C(C=C1)OC2(C=C(I)C(O)=CC=2))'
p635
tp636
sI212
(S'CC1(C(C(=O)[O-])=C(O)C(C)=C(O)C(C)=1)'
p637
S'CC1(C(O)=C(C)C(O)=C(C(=O)[O-])C(CO)=1)'
p638
tp639
sI213
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p640
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p641
tp642
sI214
(S'C1(=NC(C([O-])=O)CC(O)1)'
p643
S'C(=O)C(CC(C([O-])=O)[N+])O'
p644
tp645
sI215
(S'C2(N=CC1(=C(N=C(O)N1)N=2))'
p646
S'C1(NC2(N=C(NC(C(=N1)O)=2)O))'
p647
tp648
sI216
(S'C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC=C(C)C'
p649
S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(C)=C)C)CCC=C(C)CCC=C(C)C'
p650
tp651
sI217
(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)'
p652
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)'
p653
tp654
sI218
(S'C(=O)([O-])N'
p655
S'C(=O)(N)OP(=O)([O-])[O-]'
p656
tp657
sI219
(S'CC(C)=CCCC(=C[CH]=O)C'
p658
S'CC(=CCCC(C)=O)C'
p659
tp660
sI220
(S'C1(NC=NC=1CC(COP([O-])(=O)[O-])[N+])'
p661
S'C1(NC=NC=1CC(CO)[N+])'
p662
tp663
sI221
(S'COC2(C=C(C(=O)[O-])C=C(C1(=CC(C(=O)[O-])=CC(O)=C(O)1))C(O)=2)'
p664
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)'
p665
tp666
sI222
(S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(CO)C3(=CC=CC=C3)))'
p667
S'C[N+]1(C2(C(O)CC1CC(C2)OC(=O)C(CO)C3(C=CC=CC=3)))'
p668
tp669
sI223
(S'CC1(C(O)C(O)C(Cl)=C(Cl)C=1)'
p670
S'CC1(=C(O)C(O)=C(Cl)C(Cl)=C1)'
p671
tp672
sI224
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p673
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p674
tp675
sI225
(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)))'
p676
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)))'
p677
tp678
sI226
(S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(O)1)'
p679
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p680
tp681
sI227
(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'
p682
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'
p683
tp684
sI228
(S'CC1(CCC(C)(C(O)C=1)C3(C)(CC(O)C(O)C2(OC2)3))'
p685
S'CC1(CCC(O)(C)C=C1)C3(C)(CC(O)C(O)C2(OC2)3)'
p686
tp687
sI229
(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)))'
p688
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))'
p689
tp690
sI230
(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)'
p691
S'C2(C(C(C(C(OCC1(OC(O)C(O)C(O)C(O)1))O2)O)O)O)'
p692
tp693
sI231
(S'C2(=C(C1(C=CC=CC=1N2))C(O)C=O)'
p694
S'C2(=C(C1(C=CC=CC=1N2))C(O)C(=O)[O-])'
p695
tp696
sI232
(S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p697
S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))'
p698
tp699
sI233
(S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(C)=C)C)CCC=C(C)CCC=C(C)C'
p700
S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(=C)C)C)CCC=C(C)CCC(C)C(=C)C'
p701
tp702
sI234
(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)'
p703
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)'
p704
tp705
sI235
(S'C(OP([O-])(OCC(CO)O)=O)C[N+]'
p706
S'C(CO)[N+]'
p707
tp708
sI236
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p709
S'COC3(C(=O)C1(C(=CC([O-])=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3))'
p710
tp711
sI237
(S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p712
S'C2(OC3(=C(C(OC1(C(C(C(O)C(O1)CO)O)O))=C2)C=CC=C(O)3))(=O)'
p713
tp714
sI238
(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'
p715
S'CC1(CO)(OP(=O)([O-])OP(=O)([O-])OCC(O)1)'
p716
tp717
sI239
(S'CCC(=N)C(=O)[O-]'
p718
S'CCC(=O)C(=O)[O-]'
p719
tp720
sI240
(S'[CH](=O)CSCCS(=O)(=O)[O-]'
p721
S'C(CS(=O)(=O)[O-])SCC(=O)[O-]'
p722
tp723
sI241
(S'C1(C=CC(=C(C=1)C2(C=CC=CC(S([O-])=O)=2))O)'
p724
S'C1(C=CC(=CC=1)C2(C=CC=CC=2O))'
p725
tp726
sI242
(S'C=CC3(CC[CH]2(C1(CCC(O)C(C)([CH]1CCC2=C3)C)C))C'
p727
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)O)C))C'
p728
tp729
sI243
(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))))'
p730
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))))'
p731
tp732
sI244
(S'C[N+]34([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC5(C=CC(=C(C(C4)=5)OC)OC))'
p733
S'CN3(CCC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p734
tp735
sI245
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p736
S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p737
tp738
sI246
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p739
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'
p740
tp741
sI247
(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)'
p742
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)'
p743
tp744
sI248
(S'C([N+])CC2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p745
S'[CH]12(N(C(=O)C1)C(C([O-])=O)C(=CC[N+])O2)'
p746
tp747
sI249
(S'C1(C=C(O)C=CC=1C=CC(=O)CC([O-])=O)'
p748
S'C1(=CC=C(C=C1)C=CC(CC(=O)C=CC2(C=CC(O)=CC=2))=O)'
p749
tp750
sI250
(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'
p751
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'
p752
tp753
sI251
(S'C([O-])(=O)C1(OC(C([O-])=O)=CC=1)'
p754
S'C(C1(OC=CC=1))([O-])=O'
p755
tp756
sI252
(S'C1(C=C(C(=CC=1C3(=C(C(C2(=C(C=C(C(=C2O3)O)O)O))=O)[O-]))O)O)'
p757
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)'
p758
tp759
sI253
(S'C(CS)[N+]'
p760
S'C([N+])CS([O-])=O'
p761
tp762
sI254
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p763
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)))'
p764
tp765
sI255
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p766
S'CC(C)=CCC1(C(O)=CC=C(C=1)CC(C(=O)[O-])=O)'
p767
tp768
sI256
(S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p769
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'
p770
tp771
sI257
(S'C=C=CC(=O)C(=O)[O-]'
p772
S'C=C1(CC(C(C([O-])=O)=O)1)'
p773
tp774
sI258
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O)C(O)CC3)))CC4)))C'
p775
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'
p776
tp777
sI259
(S'CC15(CCCC(C(C(C24(CC(CCC12)C3(OC3)(C4)))C([O-])=O)5)(C)C([O-])=O)'
p778
S'CC12(CCCC(C([O-])=O)(C1C(C34(CC(CCC23)C(O)(C4)CO))C([O-])=O)C)'
p779
tp780
sI260
(S'CC1(C=C(C=C(C=1)O)O)'
p781
S'CC1(C=C(C=C(C=1)OC)O)'
p782
tp783
sI261
(S'C=CC(=C)C'
p784
S'C=CC1(C)(OC1)'
p785
tp786
sI262
(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))'
p787
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))'
p788
tp789
sI263
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p790
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p791
tp792
sI264
(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)'
p793
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)'
p794
tp795
sI265
(S'C(C=CC(=O)C([O-])=O)Cl'
p796
S'C(=O)([O-])C(=O)CC(O)CCl'
p797
tp798
sI266
(S'CC(=O)CC([O-])=O'
p799
S'CC(=O)CSCCS(=O)(=O)[O-]'
p800
tp801
sI267
(S'COC1(C=C(C=CC=O)C=C(OC)C(O)=1)'
p802
S'COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)'
p803
tp804
sI268
(S'CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))'
p805
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)(C(=CC=C23)CC(O)CC4))))'
p806
tp807
sI269
(S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p808
S'COC5(=C(O)C1(=C(C[CH]2(N(C1)CCC4(C2=CC3(OCOC=3C=4))))C=C5))'
p809
tp810
sI270
(S'C1(C=C(C=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p811
S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2)[O-])O)))=CC=C(C=3)O)'
p812
tp813
sI271
(S'C(CC([N+])C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p814
S'C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O'
p815
tp816
sI272
(S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p817
S'CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO'
p818
tp819
sI273
(S'CC1(C=C3(C(=C(C=1)O)C(C2(C(=CC(=CC=2O)[O-])C3=O))=O))'
p820
S'CC3(C=C(C1(=C(C(C2(=C(C(=O)1)C(=CC(=C2)[O-])OC))=O)C=3))O)'
p821
tp822
sI274
(S'CN2(C(=O)NC1(=C(NC=N1)C(=O)2))'
p823
S'CN2(C(=O)NC1(=C(NC(=O)N1)C(=O)2))'
p824
tp825
sI275
(S'C1(=C(C(=O)NC(O)=C1)[O-])'
p826
S'C1([O-])(=NC(=O)C(O)=CC1=C2(C([O-])=NC(=O)C(O)=C2))'
p827
tp828
sI276
(S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NO)O2)'
p829
S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NOS(=O)(=O)[O-])O2)'
p830
tp831
sI277
(S'CC(CCCC(CCCC(C)CCCC(=CCC2(C=C(O)C1(=C(C=CC=C1)C(O)=2)))C)C)C'
p832
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC2(C(=C(O)C1(C=CC=CC=1C=2O))C)'
p833
tp834
sI278
(S'CC(=O)N(O)CCCNC(=O)CC(O)(C([O-])=O)CC(NCCCN(O)C(=O)C)=O'
p835
S'CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCCN(O)C(C)=O)=O)=O'
p836
tp837
sI279
(S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p838
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p839
tp840
sI280
(S'C(C1(C=CC(S(=O)(=O)[O-])=CC=1))O'
p841
S'C(C1(C=CC(S([O-])(=O)=O)=CC=1))=O'
p842
tp843
sI281
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p844
S'C(=O)C1(OC=C(COP([O-])(=O)[O-])C=1)'
p845
tp846
sI282
(S'C=CCC(=O)C(=O)[O-]'
p847
S'CC(O)CC(=O)C([O-])=O'
p848
tp849
sI283
(S'C(=C(Cl)Cl)Cl'
p850
S'C(C([O-])=O)(Cl)Cl'
p851
tp852
sI284
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p853
S'COC1(C=C(C=CC=1O)CC[N+])'
p854
tp855
sI285
(S'CC1(O[CH](CC(=O)[O-])CC2(=CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p856
S'CC2(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p857
tp858
sI286
(S'CCC=CCC(C=CC=CCCCCCCCC([O-])=O)OO'
p859
S'CCC=CC[CH]1(OC1=CC=CCCCCCCCC(=O)[O-])'
p860
tp861
sI287
(S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C)=CC3)))'
p862
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(CO)=CC3)))'
p863
tp864
sI288
(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'
p865
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)))))'
p866
tp867
sI289
(S'C1(=CC=C3(C(=C1)CC2(C(=CC=CC=2)3)))'
p868
S'C1(C=C2(C(=CC=1)C3(C(C(C=CC(C2)=3)O)O)))'
p869
tp870
sI290
(S'CC([N+])C'
p871
S'CC(NC(CCC(C(=O)[O-])[N+])=O)C'
p872
tp873
sI291
(S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p874
S'C(=O)([O-])C(=O)CC(O)C(O)COP([O-])(=O)[O-]'
p875
tp876
sI292
(S'CC(OCCC1(C=CC=CC=1))=O'
p877
S'C1(C=CC(CCO)=CC=1)'
p878
tp879
sI293
(S'CC([N+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]'
p880
S'CC([N+])C(=O)NC(C([O-])=O)CCC(=O)[O-]'
p881
tp882
sI294
(S'C1(C=CC(CC=NO)=CC=1)'
p883
S'[CH](=O)CC1(=CC=CC=C1)'
p884
tp885
sI295
(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'
p886
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'
p887
tp888
sI296
(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)))'
p889
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)))'
p890
tp891
sI297
(S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p892
S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2O)=O)O)[O-])))=CC=3)'
p893
tp894
sI298
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p895
S'C(=O)([O-])C1(C=C(Cl)C(O)C(O)C=1)'
p896
tp897
sI299
(S'C(=NO)CCCCCCCCSC'
p898
S'C(#N=O)CCCCCCCCSC'
p899
tp900
sI300
(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)'
p901
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)'
p902
tp903
sI301
(S'C2(C=CC1(=C(C=CN1)C=2))'
p904
S'C(C1(C(=CC=CC=1)NC=O))=O'
p905
tp906
sI302
(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)))'
p907
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)))'
p908
tp909
sI303
(S'C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)'
p910
S'C(C1(=CC=CC=C1O))([O-])=O'
p911
tp912
sI304
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)SC3(OC(CO)C(O)C(O)C(O)3))'
p913
S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p914
tp915
sI305
(S'C1(C(C=NO)=CC=CN=1)'
p916
S'C(C1(=CN=CC=C1))#N'
p917
tp918
sI306
(S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C'
p919
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC=CC(OC)=C(O)1)'
p920
tp921
sI307
(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)))'
p922
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)))'
p923
tp924
sI308
(S'C[N+]1([CH]2(CC(O)C(C(OC)=O)[CH]1CC2))'
p925
S'C[N+]2([CH]3(CC(OC(C1(C=CC=CC=1))=O)C(C(OC)=O)[CH]2CC3))'
p926
tp927
sI309
(S'C[N+](CC([O-])=O)C'
p928
S'C[N+]CC(=O)[O-]'
p929
tp930
sI310
(S'COC2(C1(=C(NC=C(CN=C=S)1)C=CC=2))'
p931
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))'
p932
tp933
sI311
(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'
p934
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'
p935
tp936
sI312
(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))'
p937
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))'
p938
tp939
sI313
(S'CSC'
p940
S'CS'
p941
tp942
sI314
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p943
S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC=C(C(I)=C2)O)))[N+])([O-])=O'
p944
tp945
sI315
(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'
p946
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'
p947
tp948
sI316
(S'CC(C([O-])=O)C1(OC(=O)C(=C1)Cl)(Cl)'
p949
S'CC(C([O-])=O)=C(Cl)C=C(C([O-])=O)Cl'
p950
tp951
sI317
(S'C([O-])(=O)C([N+])C(O)C(O)C(O)CO'
p952
S'C([O-])(=O)C([N+])C(O)C(O)C(O)COP([O-])(=O)[O-]'
p953
tp954
sI318
(S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(OC)=C(O)C(OC)=C3)))'
p955
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(OC)=C(OC)C(OC)=C3)))'
p956
tp957
sI319
(S'C2(C=CC1(=C(C=CN1)C=2))'
p958
S'C1(CC2(C(N1)=CC=CC=2))(=O)'
p959
tp960
sI320
(S'CC(=CCC1(=C(O)C=C(O)C2(C(=O)CC(OC1=2)C3(=CC=C(O)C=C3))))C'
p961
S'CC(C)=CCC1(=C3(C(=C(C=C1[O-])O)C(CC(C2(C=CC(=CC(O)=2)O))O3)=O))'
p962
tp963
sI321
(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)'
p964
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'
p965
tp966
sI322
(S'C(=O)([O-])C1(=CC(O)(Cl)[CH](O)C=C1)'
p967
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p968
tp969
sI323
(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)))'
p970
S'C([O-])(=O)C1(C=CC=C(C=1)C(=O)CCC2(C(O)C(O)C(O)O2))'
p971
tp972
sI324
(S'[CH](=O)C1(=CC(=CC=C(O)1)O)'
p973
S'C(O)C1(=CC(O)C2(OC(C(=O)1)2))'
p974
tp975
sI325
(S'C(C1(OC(=O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p976
S'C(C(C(C(C(C([O-])=O)O)O)O)O)S([O-])(=O)=O'
p977
tp978
sI326
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)C(COP([O-])(=O)[O-])=O'
p979
S'C(O)C(C(O)C(C(O)C(COP(=O)([O-])[O-])O)O)=O'
p980
tp981
sI327
(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)))'
p982
S'COC1(=CC(=CC(OC)=C(OC)1)C2([CH]5(C(=O)OC[CH](CC4(=C2C=C3(C(OCO3)=C(OC)4)))5)))'
p983
tp984
sI328
(S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p985
S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p986
tp987
sI329
(S'CC(C)CC(C([O-])=O)O'
p988
S'CC(C)CC(C([O-])=O)=O'
p989
tp990
sI330
(S'C(C=CC1(=C(C=CC=C1)O))(=O)[O-]'
p991
S'C1(OC2(=CC=CC=C(C=C1)2))=O'
p992
tp993
sI331
(S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)COP([O-])(=O)[O-])=O'
p994
S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O'
p995
tp996
sI332
(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'
p997
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'
p998
tp999
sI333
(S'C1(C=C2(C(=CC=1)C=CC=C2))'
p1000
S'C2(C=CC1(=C(C=CC(O)C(O)1)C=2))'
p1001
tp1002
sI334
(S'C(=O)([O-])C(O)CO'
p1003
S'C(C(=O)C([O-])=O)O'
p1004
tp1005
sI335
(S'C1(=C(C(O)=CC(Cl)=C1O)Cl)'
p1006
S'C1(C(C([O-])=CC(C=1Cl)=O)=O)'
p1007
tp1008
sI336
(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))'
p1009
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))'
p1010
tp1011
sI337
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=C3)OC))'
p1012
S'COC1(C(O)=CC(=CC=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p1013
tp1014
sI338
(S'C1(N=CC=CC=1CCCC(=O)[O-])'
p1015
S'C1(N=CC=CC=1CC(=O)[O-])'
p1016
tp1017
sI339
(S'C1(=CC=C(O)C=C1)'
p1018
S'C1(C=CC(=CC=1)OP(=O)([O-])[O-])'
p1019
tp1020
sI340
(S'C(=O)C1(C=C(C(=O)[O-])C=CC=1O)'
p1021
S'C(=O)([O-])C1(C=CC(=C(C(=O)[O-])C=1)O)'
p1022
tp1023
sI341
(S'C(C1(OC(OP([O-])(=O)[O-])C(O)C1O))F'
p1024
S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CF'
p1025
tp1026
sI342
(S'C(CCCC([N+])C(=O)[O-])NO'
p1027
S'CC(=O)N(O)CCCCC([N+])C(=O)[O-]'
p1028
tp1029
sI343
(S'[CH](=O)C1(=CC=C(O)C(N)=C1)'
p1030
S'CC(=O)NC(C([O-])=O)CSC1(=C(N)C(=O)C=C2(C1=NC3(C(O2)=CC=C([CH]=O)C=3)))'
p1031
tp1032
sI344
(S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p1033
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p1034
tp1035
sI345
(S'C(O)C(O)C(=O)C(O)C(O)COP([O-])([O-])=O'
p1036
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p1037
tp1038
sI346
(S'C[N+]CC(O)C1(C=CC(=C(C=1)O)O)'
p1039
S'C(=O)C(O)C1(C=CC(O)=C(O)C=1)'
p1040
tp1041
sI347
(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'
p1042
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-]'
p1043
tp1044
sI348
(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))'
p1045
S'COC3(C2(=C(C(=O)C=C(C1(C=CC=CC=1))O2)C(O)=CC(O)=3))'
p1046
tp1047
sI349
(S'CC(C(CCCCCC([O-])=O)=O)[N+]'
p1048
S'CC(C(CCCCCC([O-])=O)[N+])[N+]'
p1049
tp1050
sI350
(S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O'
p1051
S'CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1052
tp1053
sI351
(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)'
p1054
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))'
p1055
tp1056
sI352
(S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p1057
S'C3(C=CC(C2(OC1(C(=C(O)C=C([O-])C=1)C(=O)C=2)))=CC=3)'
p1058
tp1059
sI353
(S'CC(CCC=C([CH]=O)C)=C[CH]=O'
p1060
S'CC1(CC[CH]2(C(=COC(O)[CH]12)C=O))'
p1061
tp1062
sI354
(S'CCC(C=C(C=CC(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=CC=2)))C)C'
p1063
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'
p1064
tp1065
sI355
(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'
p1066
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))'
p1067
tp1068
sI356
(S'[Hg]'
p1069
S'[Hg++]'
p1070
tp1071
sI357
(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)))))'
p1072
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)))))'
p1073
tp1074
sI358
(S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p1075
S'C([O-])(=O)C(CCCC(C([O-])=O)=O)[N+]'
p1076
tp1077
sI359
(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'
p1078
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'
p1079
tp1080
sI360
(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))))'
p1081
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)'
p1082
tp1083
sI361
(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)'
p1084
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)'
p1085
tp1086
sI362
(S'CCC4([CH]3(C5(C(O)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p1087
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)))))'
p1088
tp1089
sI363
(S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p1090
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p1091
tp1092
sI364
(S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p1093
S'CCCCCC(O)C=CC1(C(=O)CC(O)C(CC=CCCCC(=O)[O-])1)'
p1094
tp1095
sI365
(S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p1096
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p1097
tp1098
sI366
(S'C1(N=C(C([O-])=O)CC(O)1)'
p1099
S'[CH](=O)CCC(C([O-])=O)=O'
p1100
tp1101
sI367
(S'C(CC(CC(CC(C=CC1(C=CC(=CC=1)O))=O)=O)=O)([O-])=O'
p1102
S'C1(C=C(O)C=CC=1C=CC(=O)CC2(OC(=O)C=C([O-])C=2))'
p1103
tp1104
sI368
(S'C(C(C(C(C(O)CO)O)O)O)O'
p1105
S'C(O)C(O)C(O)C(=O)C(O)CO'
p1106
tp1107
sI369
(S'CC(O)(CCC4(C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C=3C=CC(O)=4))))C'
p1108
S'CC(=CCC4(=C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C3=CC=C(O)4))))C'
p1109
tp1110
sI370
(S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p1111
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))'
p1112
tp1113
sI371
(S'C(C(CCCC(C([O-])=O)[N+])[N+])([O-])=O'
p1114
S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p1115
tp1116
sI372
(S'CCC(O)CC(=O)C(=O)[O-]'
p1117
S'CCC(O)=CC(=O)C(=O)[O-]'
p1118
tp1119
sI373
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p1120
S'COC1(=CC(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p1121
tp1122
sI374
(S'C([O-])(=O)C(Cl)=CC=C(C([O-])=O)N'
p1123
S'C(C(=CC=C(O)C(=O)[O-])Cl)(=O)[O-]'
p1124
tp1125
sI375
(S'C1(C=C(C(=CC=1Cl)O)N)'
p1126
S'[CH](C(=CC=C(N)C(=O)[O-])Cl)=O'
p1127
tp1128
sI376
(S'C1(N5([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC4(=C(C3(=C(OCO3)C=C4))C5)))'
p1129
S'C1(N6([CH](C3(=C(C1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6)))'
p1130
tp1131
sI377
(S'CC(C(CC([O-])=O)C([O-])=O)(C([O-])=O)O'
p1132
S'C(C([O-])=O)CC([O-])=O'
p1133
tp1134
sI378
(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'
p1135
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'
p1136
tp1137
sI379
(S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p1138
S'COC4(C(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)O)'
p1139
tp1140
sI380
(S'C([O-])(=O)C(=O)C[PH]([O-])=O'
p1141
S'C([O-])(=O)CC(O)(C([O-])=O)C[PH]([O-])=O'
p1142
tp1143
sI381
(S'C=CC1(C)(CC2(=CC[CH]3(C(C)(C)CCCC(C)([CH](CC1)2)3)))'
p1144
S'C=CC1(C)(CC2(=CCC3(C(C)(CO)CCCC(C)(C(CC1)2)3)))'
p1145
tp1146
sI382
(S'CC(O)(CO)C(O)COP([O-])([O-])=O'
p1147
S'CC(=O)C(O)C(O)COP([O-])(=O)[O-]'
p1148
tp1149
sI383
(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)))))'
p1150
S'C=C(C5(OC4(C=CC3(C(C2(C1(C=C(C(=CC=1OCC2OC=3C=4C5)OC)OC)))O))))CO'
p1151
tp1152
sI384
(S'COC1(=CC=C2(CCC(C3(=C(C(=CC1=O)2)C(=C(C(=C3)OC)OC)OC))[N+]))'
p1153
S'CC(NC2(C1(=CC(C(=CC=C1C3(C(=C(C(=CC(CC2)=3)OC)OC)OC))OC)=O)))=O'
p1154
tp1155
sI385
(S'CCCCCC(O)[CH]=CC=O'
p1156
S'CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O'
p1157
tp1158
sI386
(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)))'
p1159
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)))'
p1160
tp1161
sI387
(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)'
p1162
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)'
p1163
tp1164
sI388
(S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p1165
S'CC(=O)NCCC2(=CNC3(=CC=C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))C=C23))'
p1166
tp1167
sI389
(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)'
p1168
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)'
p1169
tp1170
sI390
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C(C1(C=CC=CC=1[N+](=C(C)2)[O-]))=O)'
p1171
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(=O)2)[O-]))'
p1172
tp1173
sI391
(S'C[N+]C2(CCC3(C=C(C(=C(C(C1(C(=CC(=O)C(=CC=1)OC)2))=3)OC)OC)OC))'
p1174
S'COC1(=CC=C2(CCC(C3(=C(C(=CC1=O)2)C(=C(C(=C3)OC)OC)OC))[N+]))'
p1175
tp1176
sI392
(S'C12(=C(C(C([O-])=O)=CN1)C(=O)NC(N)=N2)'
p1177
S'C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)'
p1178
tp1179
sI393
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p1180
S'C(=O)([O-])C=CC1(=CC=C(O)C=C1)'
p1181
tp1182
sI394
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p1183
S'C1(=C(CC(=O)[O-])C3(C=CC=CC(N1C2(C(C(C(C(O2)CO)O)O)O))=3))'
p1184
tp1185
sI395
(S'[CH](=O)C(O)[CH]1(OCC(O)C(O)1)'
p1186
S'C1(O[CH](C(C1O)O)C(C(=O)[O-])O)'
p1187
tp1188
sI396
(S'[O-]S([O-])=O'
p1189
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'
p1190
tp1191
sI397
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(O)=3)[O-]))'
p1192
S'COC3(=C(OC)C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)[O-]))'
p1193
tp1194
sI398
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1195
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p1196
tp1197
sI399
(S'CC1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p1198
S'C=C1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p1199
tp1200
sI400
(S'C1(O)(N=C(O)C(O)=CC=1C2(=C(O)N=C(O)C(O)=C2))'
p1201
S'C1([O-])(=NC(=O)C(O)=CC1=C2(C([O-])=NC(=O)C(O)=C2))'
p1202
tp1203
sI401
(S'C3(CC1(C=C(C(=CC=1C(CC2(=CC=C(C(=C2)O)O))[N+]3)O)OC))'
p1204
S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)O)))'
p1205
tp1206
sI402
(S'COC3(=C(OC)C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)[O-]))'
p1207
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)'
p1208
tp1209
sI403
(S'CC2(N(CC1(C(=NC(=NC=1)C)N))C=CC=C2CCO)'
p1210
S'CC1(N=C(C(=CN=1)CO)N)'
p1211
tp1212
sI404
(S'C1(=CC(=NC(=N1)N)C(=O)[O-])'
p1213
S'C1(C=C(N=C(N=1)N)CC([N+])C(=O)[O-])'
p1214
tp1215
sI405
(S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p1216
S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p1217
tp1218
sI406
(S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p1219
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(O)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p1220
tp1221
sI407
(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)'
p1222
S'CC1(OC(O)C(NC(C)=O)C(O)C(NC(C)=O)1)'
p1223
tp1224
sI408
(S'CC2(C(C(=O)C1(C(O)=CC(O)=CC(O)=1))=C(O)C=C(O)C=2)'
p1225
S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)O)'
p1226
tp1227
sI409
(S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p1228
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p1229
tp1230
sI410
(S'C(C=O)=C(C=C(O)C([O-])=O)C(=O)[O-]'
p1231
S'C(=O)([O-])C1(C=C(C([O-])=O)OC(O)C=1)'
p1232
tp1233
sI411
(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))))'
p1234
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)))))'
p1235
tp1236
sI412
(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)))'
p1237
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p1238
tp1239
sI413
(S'CC2(C(O)C(O)C(O)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p1240
S'CC2(C(O)C(O)C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p1241
tp1242
sI414
(S'C1(=NC(=O)NC([O-])=N1)(N)'
p1243
S'C1(NC(NC(=O)N1)=O)=O'
p1244
tp1245
sI415
(S'CCCCCCCC(=O)CC(C1(C(=CC=CC=1)N))=O'
p1246
S'CCCCCCCC1(=CC(=O)C2(=C(N1)C=CC=C2))'
p1247
tp1248
sI416
(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'
p1249
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'
p1250
tp1251
sI417
(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'
p1252
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'
p1253
tp1254
sI418
(S'CC1(CCC=C(C)C(O)C=CC(C)(C)CC=1)'
p1255
S'CC1(CC[CH]=C(C)C(=O)[CH]=[CH]C(C)(C)C[CH]=1)'
p1256
tp1257
sI419
(S'C(S)C(C(NCCC(=O)[O-])=O)NC(=O)CCC([N+])C([O-])=O'
p1258
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'
p1259
tp1260
sI420
(S'C([O-])(=O)CC(C([O-])=O)(O)CCCC(=O)[O-]'
p1261
S'C(CC(=O)C(=O)[O-])CC(=O)[O-]'
p1262
tp1263
sI421
(S'C(O)C1(C=CC=C(Cl)C=1)'
p1264
S'C(=O)C1(C=CC=C(Cl)C=1)'
p1265
tp1266
sI422
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p1267
S'CC2(C(=O)C(O)C1(CO)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p1268
tp1269
sI423
(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))))'
p1270
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)))'
p1271
tp1272
sI424
(S'C(=O)NC(C(N)=O)CCC([O-])=O'
p1273
S'C(CC([O-])=O)C(C(N)=O)[N+]'
p1274
tp1275
sI425
(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'
p1276
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'
p1277
tp1278
sI426
(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))'
p1279
S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p1280
tp1281
sI427
(S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p1282
S'C1(C=C(O)C(O)=C(C=1)O)'
p1283
tp1284
sI428
(S'CC(C)=CC(O)CC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p1285
S'CC(C)=CC(O)CC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1N(C(C)=2)O))=O)'
p1286
tp1287
sI429
(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))))'
p1288
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))))'
p1289
tp1290
sI430
(S'CC(C(C(CO)O)=O)=O'
p1291
S'CC1(O)(OCC(O)C(=O)1)'
p1292
tp1293
sI431
(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'
p1294
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)'
p1295
tp1296
sI432
(S'C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)'
p1297
S'C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)'
p1298
tp1299
sI433
(S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p1300
S'C2(=NC1(C=C(C=CC=1N2)O))'
p1301
tp1302
sI434
(S'C1(C=CC(N)=C(C=1)C(=O)C(=O)[O-])'
p1303
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p1304
tp1305
sI435
(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))))'
p1306
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))))'
p1307
tp1308
sI436
(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))))'
p1309
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))))'
p1310
tp1311
sI437
(S'CC(C(C)O)O'
p1312
S'CC(O)C(=O)C'
p1313
tp1314
sI438
(S'[F-]'
p1315
S'C(C1(OC(C(C1O)O)N2(C3(=C(N=C2)C(=NC=N3)N))))F'
p1316
tp1317
sI439
(S'C1(C=C(C=CC=1CCC(C2(C(=CC(O)=CC(O)=2)O))=O)O)'
p1318
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)'
p1319
tp1320
sI440
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p1321
S'C[N+]4(CC(CO)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p1322
tp1323
sI441
(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)))'
p1324
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))))'
p1325
tp1326
sI442
(S'CC(C)=CCC1(=CC=CC2(=C1C(=CN2)CC([N+])C(=O)[O-]))'
p1327
S'CC(C)=CCC1(=CC=CC2(=C1C(=CN2)CC(NC)C(=O)[O-]))'
p1328
tp1329
sI443
(S'C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(=O)C=CC(CC([N+])C([O-])=O)C=1)'
p1330
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(C1=CC(CC([N+])C([O-])=O)=CC=2))'
p1331
tp1332
sI444
(S'C(=O)C(=CC=C(C([O-])=O)O)CC([O-])=O'
p1333
S'C([O-])(=O)CC(=CC=C(C([O-])=O)O)C([O-])=O'
p1334
tp1335
sI445
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p1336
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p1337
tp1338
sI446
(S'[CH](C(CCC([O-])=O)[N+])=O'
p1339
S'C(C(C[N+])=O)CC([O-])=O'
p1340
tp1341
sI447
(S'C3(C2(C=C1(C(OC=C1)=CC=2OC(C=3)=O)))'
p1342
S'C2(=CC(=O)OC3(=CC1(OC=CC=1C(=C23)O)))'
p1343
tp1344
sI448
(S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p1345
S'C1(C(O)=C(O)C(O)=CC=1C(=O)OC2(OC(CO)C(O)C(O)C(O)2))'
p1346
tp1347
sI449
(S'C1(C(O)=C(O)C(O)=CC=1C(=O)OC2(OC(CO)C(O)C(O)C(O)2))'
p1348
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'
p1349
tp1350
sI450
(S'C(C[N+])CC=O'
p1351
S'C(C[N+])CC([O-])=O'
p1352
tp1353
sI451
(S'CC3(OC2(C(=C(O)C1(=C(O)C=C(O)C=C1C=2))C(=O)C=3))'
p1354
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C=C1C=2))C(=O)C=3))'
p1355
tp1356
sI452
(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)'
p1357
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p1358
tp1359
sI453
(S'CC1(=NC=CC2(=C1NC3(C=C(O)C=CC2=3)))'
p1360
S'CC1(=NC=CC2(=C1NC3(C=C(OC)C=CC2=3)))'
p1361
tp1362
sI454
(S'C(NC(=O)C1(OC(C(=O)N)1))C([N+])C(=O)[O-]'
p1363
S'CC(C)C(C([O-])=O)NC(=O)C([N+])CNC(=O)C1(OC(C(=O)N)1)'
p1364
tp1365
sI455
(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)))'
p1366
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))))))))'
p1367
tp1368
sI456
(S'CCl'
p1369
S'C'
p1370
tp1371
sI457
(S'CC1(C=C(C(=O)[O-])C=CC=1O)'
p1372
S'C(O)C1(C=C(C(=O)[O-])C=CC=1O)'
p1373
tp1374
sI458
(S'CCCCCCCCCC(=O)C(O)CC'
p1375
S'CCCCCCCCCC(=O)C(=O)CC'
p1376
tp1377
sI459
(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'
p1378
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'
p1379
tp1380
sI460
(S'CC(=CCC3(C2(=C(NC=C(CC1(NC(C(C1=O)=C(C)[O-])=O))2)C=CC=3)))C'
p1381
S'CC(=C2(C(N1(C(C5(C(C1C2=O)C3(C4(=C(NC=3)C=CC=C4C5))))(C)C))=O))[O-]'
p1382
tp1383
sI461
(S'NN'
p1384
S'N#N'
p1385
tp1386
sI462
(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))'
p1387
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))'
p1388
tp1389
sI463
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p1390
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))'
p1391
tp1392
sI464
(S'C(=C(Cl)Cl)Cl'
p1393
S'C(C([O-])=O)(Cl)(Cl)Cl'
p1394
tp1395
sI465
(S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p1396
S'CN2(C1(=C(NC(=O)N1)C(=O)NC(=O)2))'
p1397
tp1398
sI466
(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)))'
p1399
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)))'
p1400
tp1401
sI467
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p1402
S'C(CC(O)C1(=CC=CC=C1))([O-])=O'
p1403
tp1404
sI468
(S'C(C2(C(O)C(O)C(NC1(=C(NC=O)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p1405
S'C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p1406
tp1407
sI469
(S'C([O-])(=O)C1(NC2(C(C1)=CC(=O)C(=O)C=2))'
p1408
S'C1(=C(NC2(C=C(O)C(O)=CC1=2))C(=O)[O-])'
p1409
tp1410
sI470
(S'CC([N+])C(=O)C1(=CC=CC=C1)'
p1411
S'CC([N+])C(O)C1(C=CC=CC=1)'
p1412
tp1413
sI471
(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-]'
p1414
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-]'
p1415
tp1416
sI472
(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)'
p1417
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(O)C(O)C(O)1))2)=O)'
p1418
tp1419
sI473
(S'C=CCC=CCC=CCCCCCCCC1(C=C(O)C=C(OC)C=1)'
p1420
S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(O)=CC(OC)=C1)'
p1421
tp1422
sI474
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1423
S'CC12(C(CCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))O)'
p1424
tp1425
sI475
(S'CSCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p1426
S'CSCCCCC(=NO)S'
p1427
tp1428
sI476
(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))))'
p1429
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))))'
p1430
tp1431
sI477
(S'C(C(C(O)C(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p1432
S'C([O-])(=O)C1(C(O)=C(O)C2(C=CC=CC(N=1)=2))'
p1433
tp1434
sI478
(S'C1(C(=C(Cl)C=C(O)C(O)=1)Cl)'
p1435
S'C([O-])(=O)C=CC(=C(Cl)C([O-])=O)Cl'
p1436
tp1437
sI479
(S'[CH]12(N(C(=O)C1)C(C([O-])=O)C(=CC[N+])O2)'
p1438
S'C(=O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p1439
tp1440
sI480
(S'CCCCCCCCCCCCCC=CC(O)C([N+])COP(=O)([O-])[O-]'
p1441
S'CCCCCCCCCCCCCC=CC(O)C([N+])CO'
p1442
tp1443
sI481
(S'CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C'
p1444
S'CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)C'
p1445
tp1446
sI482
(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)'
p1447
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)'
p1448
tp1449
sI483
(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-])))'
p1450
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)'
p1451
tp1452
sI484
(S'CSCCCC(=O)C(=O)[O-]'
p1453
S'C(CC(CCCSC)(O)C(=O)[O-])(=O)[O-]'
p1454
tp1455
sI485
(S'CC(C(=O)[O-])C(O)C([O-])=O'
p1456
S'CCC(=O)C(=O)[O-]'
p1457
tp1458
sI486
(S'C1(C=C2(C(C=CC(C(=CC=1)2)=O)=O))'
p1459
S'C2(=CC(=C1(C(=O)C=CC(C1=C2)=O))O)'
p1460
tp1461
sI487
(S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O'
p1462
S'C(C2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))OP(OP([O-])([O-])=O)([O-])=O'
p1463
tp1464
sI488
(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)'
p1465
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)'
p1466
tp1467
sI489
(S'CC(CO)CCNC2(=NC=NC1(=C(N=CN1)2))'
p1468
S'CC(CCNC1(C2(=C(N=CN=1)NC=N2)))COC3(C(C(C(C(O3)CO)O)O)O)'
p1469
tp1470
sI490
(S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p1471
S'C(CC(=O)C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p1472
tp1473
sI491
(S'C=CCSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p1474
S'C=CCSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p1475
tp1476
sI492
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p1477
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p1478
tp1479
sI493
(S'C(SC(CC1(C=CC=CC=1))=NO)C(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC(=O)[O-]'
p1480
S'C(SC(CC1(C=CC=CC=1))=NO)C([N+])C(=O)NCC(=O)[O-]'
p1481
tp1482
sI494
(S'CC1(CCCC2(C)(C3(CCC4(CC(CCC12)3C=C4C([O-])=O))))C=O'
p1483
S'CC12(CCCC(C1CCC34(C2CCC(C3)C(=C4)C([O-])=O))(C)C([O-])=O)'
p1484
tp1485
sI495
(S'C([O-])(=O)O'
p1486
S'C(=O)([O-])OP([O-])(=O)O'
p1487
tp1488
sI496
(S'C=C(C2(CC1(C(CCC=C1C)C)CC2))C'
p1489
S'C=C(C2(CC1(C(CC(C=C1C)O)C)CC2))C'
p1490
tp1491
sI497
(S'C(S(=O)(=O)[O-])C(O)CO'
p1492
S'C(S(=O)(=O)[O-])C(=O)CO'
p1493
tp1494
sI498
(S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))'
p1495
S'CC1(C(CC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))O)'
p1496
tp1497
sI499
(S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)O)C))C'
p1498
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)=O)C))C'
p1499
tp1500
sI500
(S'C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)'
p1501
S'C([O-])(=O)C1(=CC=CC(C1O)O)'
p1502
tp1503
sI501
(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)))'
p1504
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)))'
p1505
tp1506
sI502
(S'C(=O)([O-])C(=O)CS(=O)(=O)[O-]'
p1507
S'[CH](=O)CS([O-])(=O)=O'
p1508
tp1509
sI503
(S'CC2(OC(C1(C=CC(O)=C(O)C=1))=NC2C(=O)NCCCNCCCNC(=O)C3(C=CC=C(O)C=3O))'
p1510
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)'
p1511
tp1512
sI504
(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)'
p1513
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)'
p1514
tp1515
sI505
(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'
p1516
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'
p1517
tp1518
sI506
(S'CC(C([O-])=O)[N+]C(C([O-])=O)CCCNC(N)=[N+]'
p1519
S'C(NC(N)=[N+])CCC([N+])C(=O)[O-]'
p1520
tp1521
sI507
(S'CC(CCCC(CCCC(C)CCCC(=CCC2(=CC(=O)C1(C(=CC=CC=1)C(=O)2)))C)C)C'
p1522
S'CC(CCCC(CCCC(C)CCCC(=CCC2(C=C(O)C1(=C(C=CC=C1)C(O)=2)))C)C)C'
p1523
tp1524
sI508
(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)))'
p1525
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)))'
p1526
tp1527
sI509
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p1528
S'C(C(CC1(C=CC(O)=C(O)C=1))=O)(=O)[O-]'
p1529
tp1530
sI510
(S'C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O'
p1531
S'C(C(CCS)[N+])(=O)[O-]'
p1532
tp1533
sI511
(S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p1534
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))))'
p1535
tp1536
sI512
(S'C(O)C(O)C(O)C(=O)C(O)C(=O)[O-]'
p1537
S'C(OP([O-])([O-])=O)C(O)C(C(C(C([O-])=O)O)=O)O'
p1538
tp1539
sI513
(S'CC2(C)(CC(C1(CC=C(C=O)CC1))=CCC2)'
p1540
S'CC2(C)(CC(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p1541
tp1542
sI514
(S'CC1(C=CC=CC=1O)'
p1543
S'CC1(=CC=CC(=C1O)O)'
p1544
tp1545
sI515
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p1546
S'C1(NC2(=CC=CC=C(C=1CC(NC(C(=O)[O-])CC([O-])=O)=O)2))'
p1547
tp1548
sI516
(S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p1549
S'C1(C=CC(=C(C=1)O)O)'
p1550
tp1551
sI517
(S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p1552
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)))'
p1553
tp1554
sI518
(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))))'
p1555
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))))'
p1556
tp1557
sI519
(S'C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3'
p1558
S'C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3'
p1559
tp1560
sI520
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p1561
S'C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))'
p1562
tp1563
sI521
(S'CC2(=CC(=C(C(=O)C1(C(C(OC)=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p1564
S'CC2(C=C(O)C3(C(=O)C1(C(OC)=CC(=O)C=C(C(OC)=O)1)OC(C=2)=3))'
p1565
tp1566
sI522
(S'C([O-])(=O)C([N+])CCC1(=CC=C(C=C1)O)'
p1567
S'C([O-])(=O)C([N+])C(O)CC1(=CC=C(C=C1)O)'
p1568
tp1569
sI523
(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'
p1570
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'
p1571
tp1572
sI524
(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))))'
p1573
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))))'
p1574
tp1575
sI525
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC))'
p1576
S'COC2(C=C3(OC(C1(=CC=C(O)C(O)=C1))=C(OC)C(=O)C(=C(O)C(O)=2)3))'
p1577
tp1578
sI526
(S'C1(N=CC=CC=1C(O)CCC(=O)[O-])'
p1579
S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p1580
tp1581
sI527
(S'CC(O)C(O)[CH]1(CNC2(N=C(N)NC(C(N1)=2)=O))'
p1582
S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p1583
tp1584
sI528
(S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p1585
S'C3(NC4(C(C(CC2(O)(C(=O)O[CH]1(C(O)COC(O)12)))=3)=CC=CC=4))'
p1586
tp1587
sI529
(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)'
p1588
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)'
p1589
tp1590
sI530
(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))))'
p1591
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)))'
p1592
tp1593
sI531
(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)'
p1594
S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p1595
tp1596
sI532
(S'C(OC(=O)C=CC1(C=CC(O)=CC=1))C=CC2(C=CC(O)=CC=2)'
p1597
S'C=C[CH](C1(C=CC(O)=CC=1))C=CC2(=CC=C(O)C=C2)'
p1598
tp1599
sI533
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p1600
S'COC3(C=CC(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC=3)'
p1601
tp1602
sI534
(S'C(=O)([O-])C1(C=C(C=C(OC)C(O)=1)C(=O)[O-])'
p1603
S'COC1(=CC(=CC=C(O)1)C(=O)[O-])'
p1604
tp1605
sI535
(S'C1(C=CC2(=C(C=1)C=CC(O)=C2O))'
p1606
S'C(=O)([O-])C1(O)(C=CC2(C(O1)=CC=CC=2))'
p1607
tp1608
sI536
(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)))))'
p1609
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))))))'
p1610
tp1611
sI537
(S'CCC=CC[CH]1(OC1=CC=CCCCCCCCC(=O)[O-])'
p1612
S'CCC=CCC1(C(=O)C=CC(CCCCCCCC([O-])=O)1)'
p1613
tp1614
sI538
(S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p1615
S'C2(OC(O)C(=C(C1(C=CC=CC=1))2)CC3(C=CC=CC=3))(=O)'
p1616
tp1617
sI539
(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))'
p1618
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))'
p1619
tp1620
sI540
(S'C(CNO)CC([N+])C([O-])=O'
p1621
S'CC(CC(=O)[O-])=CC(=O)N(O)CCCC([N+])C([O-])=O'
p1622
tp1623
sI541
(S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(O)=CC(OC)=C1)'
p1624
S'C=CCC=CCC=CCCCCCCCC1(=C([O-])C(=O)C=C(OC)C(=O)1)'
p1625
tp1626
sI542
(S'C=CC(O)CC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p1627
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)'
p1628
tp1629
sI543
(S'CC2(=C1(C(C(=O)OC1)=C(O)C(C)=C(O)2))'
p1630
S'CC(C)=CCCC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))C'
p1631
tp1632
sI544
(S'C[N+]CCCC=O'
p1633
S'C[N+]1(CCCC=1)'
p1634
tp1635
sI545
(S'CCSO'
p1636
S'CCSS(CC)=O'
p1637
tp1638
sI546
(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)'
p1639
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)'
p1640
tp1641
sI547
(S'C(C=C(C=C(C([O-])=O)O)C([O-])=O)([O-])=O'
p1642
S'C(=C(O)C(=O)[O-])C(=CC(=O)[O-])C(=O)[O-]'
p1643
tp1644
sI548
(S'CC=CC=CCC=CCCCCCCCC1(C(O)=C(O)C=CC=1)'
p1645
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)'
p1646
tp1647
sI549
(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))'
p1648
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'
p1649
tp1650
sI550
(S'C(C(N)=O)C(=O)C([O-])=O'
p1651
S'C(C(C(=O)[O-])O)C(N)=O'
p1652
tp1653
sI551
(S'CSCCC(C([O-])=COP([O-])(=O)[O-])=O'
p1654
S'CSCCC(C([O-])=CO)=O'
p1655
tp1656
sI552
(S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p1657
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p1658
tp1659
sI553
(S'[CH](=O)CC1(C=CC(O)=CC=1)'
p1660
S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p1661
tp1662
sI554
(S'C(O)C1(C(O)C(O)C(O)C(=O)C=1)'
p1663
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C=1)'
p1664
tp1665
sI555
(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)))'
p1666
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)'
p1667
tp1668
sI556
(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)'
p1669
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))'
p1670
tp1671
sI557
(S'CC1(C([N+](=O)[O-])=CC(NO)=CC([N+]([O-])=O)=1)'
p1672
S'CC2(C([N+](=O)[O-])=CC(NOC1(C(O)C(O)C(O)C(CO)O1))=CC([N+]([O-])=O)=2)'
p1673
tp1674
sI558
(S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=C(O1)2)C))'
p1675
S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C=C(C)C=1O)O))C)C'
p1676
tp1677
sI559
(S'CCC=CCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p1678
S'CCC(O)C=CC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p1679
tp1680
sI560
(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'
p1681
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'
p1682
tp1683
sI561
(S'CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))'
p1684
S'CC2(C)(S[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C(C(=O)[O-])2))'
p1685
tp1686
sI562
(S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p1687
S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C3(OC(=O)C=CC(C=CC(O)=2)=3)))'
p1688
tp1689
sI563
(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'
p1690
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'
p1691
tp1692
sI564
(S'C(CO)(Cl)(Cl)Cl'
p1693
S'C(O)C1(OC(OCC(Cl)(Cl)Cl)C(O)C(O)C(O)1)'
p1694
tp1695
sI565
(S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))C)C'
p1696
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))CO)C'
p1697
tp1698
sI566
(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)'
p1699
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)'
p1700
tp1701
sI567
(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))'
p1702
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)'
p1703
tp1704
sI568
(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)'
p1705
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)'
p1706
tp1707
sI569
(S'C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])'
p1708
S'C1(=CC(O)C(C(=O)[O-])C(=C1)C(=O)CCC(=O)[O-])'
p1709
tp1710
sI570
(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)'
p1711
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)'
p1712
tp1713
sI571
(S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p1714
S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p1715
tp1716
sI572
(S'CC(C)=CCCC(=C(C)COP([O-])(OP(=O)([O-])[O-])=O)C'
p1717
S'CC1(C)(C2(CCC(C)1C(C)(O)C2))'
p1718
tp1719
sI573
(S'C[N+]4(C2(CC3(C(C1(=C(OC)C(OC)=C(O)C=C1C2))(C=C(C(C=3)=O)OC)CC4)))'
p1720
S'C[N+]3(C2(CC4(C(C1(=C(OC)C(OC)=C(OC)C=C1C2))(CC3)C=C(C(C=4)=O)OC)))'
p1721
tp1722
sI574
(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)'
p1723
S'CC(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p1724
tp1725
sI575
(S'C[N+]C'
p1726
S'C[N+]'
p1727
tp1728
sI576
(S'CCC=CCCO'
p1729
S'CCC=CC[CH]=O'
p1730
tp1731
sI577
(S'CC=CC1(C=CC(O)=CC=1)'
p1732
S'CC=CC1(C=CC(OC)=CC=1)'
p1733
tp1734
sI578
(S'COC1(=CC=CC=C1OC(CO)C(=O)C2(C=C(OC)C(O)=CC=2))'
p1735
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)'
p1736
tp1737
sI579
(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)))'
p1738
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)))'
p1739
tp1740
sI580
(S'C(C[N+])C([O-])=O'
p1741
S'C[N+]CCC([O-])=O'
p1742
tp1743
sI581
(S'C=CC(CCC=C(CCC=C(C)C)C)(O)C'
p1744
S'C=CC=C(CCC=C(C)C)C'
p1745
tp1746
sI582
(S'C(C=CC1(C(O)=C(O)C=CC=1))(=O)[O-]'
p1747
S'C([O-])(=O)C=CC(=O)C=CC=C(C([O-])=O)O'
p1748
tp1749
sI583
(S'C(C([O-])=O)C([O-])=O'
p1750
S'C(CS(=O)(=O)[O-])SCC(=O)[O-]'
p1751
tp1752
sI584
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p1753
S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p1754
tp1755
sI585
(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))))'
p1756
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))))'
p1757
tp1758
sI586
(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))))'
p1759
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)))))'
p1760
tp1761
sI587
(S'CC(C(CCCCCC([O-])=O)[N+])[N+]'
p1762
S'CC1(NC(=O)NC1CCCCCC(=O)[O-])'
p1763
tp1764
sI588
(S'C1(=C(CC(C(O)C(O)1)O)C(=O)[O-])'
p1765
S'C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)'
p1766
tp1767
sI589
(S'CS(=O)CCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p1768
S'C=CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p1769
tp1770
sI590
(S'CC1(C)(OC1)'
p1771
S'CC(O)(C)CO'
p1772
tp1773
sI591
(S'CC[N+]CC'
p1774
S'CCN(O)CC'
p1775
tp1776
sI592
(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)))'
p1777
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)))'
p1778
tp1779
sI593
(S'CC(OP(=O)([O-])[O-])(CC(=O)[O-])CCOP(=O)([O-])[O-]'
p1780
S'C=C(CCOP(=O)([O-])[O-])C'
p1781
tp1782
sI594
(S'CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]'
p1783
S'CCCCCC(O)C(CC=O)SCC(NC(C)=O)C(=O)[O-]'
p1784
tp1785
sI595
(S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)[N+]'
p1786
S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)NO'
p1787
tp1788
sI596
(S'C(C1(=CC=CC=C1))(=O)OCC2(C=CC=CC=2)'
p1789
S'C(C1(O)(C(=O)CCC=C1))(OCC2(C=CC=CC=2))=O'
p1790
tp1791
sI597
(S'C(OC(=O)C=CC1(C=CC(O)=CC=1))C=CC2(C=CC(O)=CC=2)'
p1792
S'C=CC(C=CC1(C=CC(O)=CC=1))C2(C=CC(O)=CC=2)'
p1793
tp1794
sI598
(S'C1(C=C(C(=C(S(=O)(=O)[O-])C=1)O)O)'
p1795
S'C(S([O-])(=O)=O)(=O)C=CC=C(O)C(=O)[O-]'
p1796
tp1797
sI599
(S'[CH](=O)C=CC(=C[CH]=O)C=C(O)C([O-])=O'
p1798
S'[CH](=O)C=CC1(=CC(O)OC(C([O-])=O)=C1)'
p1799
tp1800
sI600
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p1801
S'C1(C=C(O)C(O)=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C(O)C=3)))'
p1802
tp1803
sI601
(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)'
p1804
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)'
p1805
tp1806
sI602
(S'COC2(=C(O)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p1807
S'COC2(=C(OC)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p1808
tp1809
sI603
(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)'
p1810
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)'
p1811
tp1812
sI604
(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)))'
p1813
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1814
tp1815
sI605
(S'CC(C)=CCCC(=CCO)C'
p1816
S'CC(C)=CCCC(=C[CH]=O)C'
p1817
tp1818
sI606
(S'C(C(CC1(C=CC(O)=C(O)C=1))=O)(=O)[O-]'
p1819
S'C1(=CC(=C(O)C=C1C[CH]=O)O)'
p1820
tp1821
sI607
(S'CCCCC1(=CN=C(C(=O)[O-])C=C1)'
p1822
S'CC(O)CCC1(=CN=C(C(=O)[O-])C=C1)'
p1823
tp1824
sI608
(S'CCCCCCC[CH]=O'
p1825
S'CCCCCCCC(=O)[O-]'
p1826
tp1827
sI609
(S'C([O-])(=O)CC1(Cl)(OC(=O)C=C1)'
p1828
S'C([O-])(=O)C=CC(=CC([O-])=O)Cl'
p1829
tp1830
sI610
(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'
p1831
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'
p1832
tp1833
sI611
(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)))'
p1834
S'C=C3(C2(CCC4(C15(CC(C(C(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)O)O))))'
p1835
tp1836
sI612
(S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p1837
S'CC1(N=CC(=C(C=1O)C=O)CO)'
p1838
tp1839
sI613
(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'
p1840
S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CC(C2C(C)3CCC(O)4)=O)CC([CH]=O)(C)CC5)C))))'
p1841
tp1842
sI614
(S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p1843
S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p1844
tp1845
sI615
(S'C(=O)(CCCC[N+])N'
p1846
S'C(CC[N+])CC(=O)[O-]'
p1847
tp1848
sI616
(S'CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))'
p1849
S'CC(=O)NCCC1(C2(=C(NC=1)C=C(OS([O-])(=O)=O)C(OC)=C2))'
p1850
tp1851
sI617
(S'CP([O-])(=O)OC1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])[O-])([O-])=O)O)O)'
p1852
S'CP([O-])(=O)OC1(C(C(C(O1)COP(=O)([O-])[O-])O)O)'
p1853
tp1854
sI618
(S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(C=C(I)C(O)=C(I)C=2))'
p1855
S'C([N+])CC1(=CC(I)=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p1856
tp1857
sI619
(S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NCC=2C=34))C6(=C(N5)C=CC=C6)))))'
p1858
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)))))))'
p1859
tp1860
sI620
(S'C=CC(C)=O'
p1861
S'CCC(C)=O'
p1862
tp1863
sI621
(S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(O)C=C12)))3)O)'
p1864
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(OC)C=C12)))3)O)'
p1865
tp1866
sI622
(S'CC(NCCC[CH]=O)=O'
p1867
S'CC(=O)NCCCC(=O)[O-]'
p1868
tp1869
sI623
(S'C(=O)([O-])CC(=O)CCC(=O)[O-]'
p1870
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p1871
tp1872
sI624
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1873
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(C=CC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1874
tp1875
sI625
(S'CC(C)=CCCC(=C[CH]=O)C'
p1876
S'CC(=CCCC(=CC(=O)[O-])C)C'
p1877
tp1878
sI626
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1879
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)))'
p1880
tp1881
sI627
(S'CC(OC3(C(OC)=CC12(C4(=C(CC([N+](CC1)C)C2=C3)C=CC(=C4O)OC))))=O'
p1882
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)OC))(CC5))))'
p1883
tp1884
sI628
(S'CN2(C1(=C(NC=N1)C(=O)N(C)C(=O)2))'
p1885
S'CN2(C(=O)NC1(=C(NC=N1)C(=O)2))'
p1886
tp1887
sI629
(S'COC1(C=CC(=CC=1OC)C2(C4(=CC5(=C(C(OC)=C(C(C3(C2C(OC3)=O))O)4)OCO5))))'
p1888
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))))'
p1889
tp1890
sI630
(S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p1891
S'CC2(CCC1(C(OC(=O)C(=C)1)C3(OC(C)(CCC=2)3)))'
p1892
tp1893
sI631
(S'C(=O)([O-])COC1(C=C(Cl)C(Cl)=CC(Cl)=1)'
p1894
S'C1(=C(Cl)C(Cl)=CC([O-])=C(Cl)1)'
p1895
tp1896
sI632
(S'CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]'
p1897
S'CCC=CCC(OO)C=CC=CCC=CCC=CCC=CCCC(=O)[O-]'
p1898
tp1899
sI633
(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))'
p1900
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)))'
p1901
tp1902
sI634
(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)))'
p1903
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'
p1904
tp1905
sI635
(S'CC(=O)C1(C=CC=CC=1)'
p1906
S'C([O-])(=O)CC(=O)C1(C=CC=CC=1)'
p1907
tp1908
sI636
(S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p1909
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)'
p1910
tp1911
sI637
(S'CCC(O)CCCCCC([N+])C([O-])=O'
p1912
S'CCC(=O)CCCCCC([N+])C([O-])=O'
p1913
tp1914
sI638
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p1915
S'COC1(C(=CC=C(OC)C(O)=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p1916
tp1917
sI639
(S'C(O)CC1(=CNC2(=C1C=C(O)C=C2))'
p1918
S'C1(NC2(C(C(CC=O)=1)=CC(=CC=2)O))'
p1919
tp1920
sI640
(S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p1921
S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p1922
tp1923
sI641
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p1924
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)))'
p1925
tp1926
sI642
(S'C2(C=CC3(=C(OC1(OC(C(C(C1O)O)O)CO))C=CC=C(C=2)3))'
p1927
S'C2(C=CC3(=C(OC1(OC(C(C(C1O)O)O)COC(=O)CC(=O)[O-]))C=CC=C(C=2)3))'
p1928
tp1929
sI643
(S'C(C1(=CC=CC2(C1=NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p1930
S'C(C3(=C2(NC1(=CC=CC=C1N=C2C=CC3=O))))([O-])=O'
p1931
tp1932
sI644
(S'CC(C([O-])=O)CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p1933
S'CC=CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p1934
tp1935
sI645
(S'C(C1(C=CCC2([CH]1NC3(CC=CC(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p1936
S'C([O-])(=O)C1(C2(N=C3(CC=CC([CH](NC(C=CC=1)=2)3)C(=O)[O-])))'
p1937
tp1938
sI646
(S'C(C1(=CC=C(C=C1)C([O-])=O))O'
p1939
S'C(C1(C=CC(C(=O)[O-])=CC=1))=O'
p1940
tp1941
sI647
(S'C(O)P([O-])(O)=O'
p1942
S'[CH](=O)P([O-])(=O)[O-]'
p1943
tp1944
sI648
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p1945
S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p1946
tp1947
sI649
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p1948
S'COC3(C(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p1949
tp1950
sI650
(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)'
p1951
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)'
p1952
tp1953
sI651
(S'CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)NN=C3C=CC=C(C3=O)C4=CC(=CC=C4)C(=O)O)C'
p1954
S'C1=CC(=CC(=C1)C(=O)O)C2=C(C(=CC=C2)N)O'
p1955
tp1956
sI652
(S'C(C[N+])CC(=O)C([O-])=O'
p1957
S'C1(CCC(C([O-])=O)=N1)'
p1958
tp1959
sI653
(S'C([N+])CCC[N+]'
p1960
S'C[N+]CCCC[N+]'
p1961
tp1962
sI654
(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)))'
p1963
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)))'
p1964
tp1965
sI655
(S'C(#N)C(SCC([N+])C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p1966
S'C1(=C(C2(C=CC=CC(N1)=2))C3(=NC(C([O-])=O)CS3))'
p1967
tp1968
sI656
(S'C(C(CO)OP([O-])([O-])=O)O'
p1969
S'C(O)C(CO)OP(OP(OCC1(OC(C(C1O)O)N2(C(N=C(C=C2)N)=O)))(=O)[O-])(=O)[O-]'
p1970
tp1971
sI657
(S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)O))(CC5))))'
p1972
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)=O)O))(CC5))))'
p1973
tp1974
sI658
(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)))'
p1975
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)))'
p1976
tp1977
sI659
(S'CC(=CC([O-])=O)C=CC1(O)(C(C)=CC(=O)CC(CO)(C)1)'
p1978
S'CC(=CC([O-])=O)C=CC2(O)(C1(OCC(C)(CC(=O)C1)2)(C))'
p1979
tp1980
sI660
(S'C(CCCCCCCCCCCCCCC([O-])=O)O'
p1981
S'C(=O)CCCCCCCCCCCCCCC(=O)[O-]'
p1982
tp1983
sI661
(S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C'
p1984
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=C(C(=C(C=2C)C)O)C)))C)C)C'
p1985
tp1986
sI662
(S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC'
p1987
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)CC'
p1988
tp1989
sI663
(S'C[N+]4(CC(CO)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p1990
S'C[N+]4(CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p1991
tp1992
sI664
(S'CCC=CCCO'
p1993
S'CCC=CCCOC(=O)C'
p1994
tp1995
sI665
(S'C=C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p1996
S'C(P(C([O-])=O)([O-])=O)C(=O)C(=O)[O-]'
p1997
tp1998
sI666
(S'C1(=C(NC2(C=C(O)C(O)=CC1=2))C(=O)[O-])'
p1999
S'C([O-])(=O)C1(NC2(C(C=1)=CC(=O)C(=O)C=2))'
p2000
tp2001
sI667
(S'C(=O)([O-])C1(C=C(C([O-])=O)OC(O)C=1)'
p2002
S'C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O)'
p2003
tp2004
sI668
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(OCC[N+])([O-])=O)=O'
p2005
S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p2006
tp2007
sI669
(S'C(NC1(N=C(NC(=O)C(N)=1)N))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p2008
S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p2009
tp2010
sI670
(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)'
p2011
S'CC3(C(Cl)=C(O)C2(C(C1(C(OC)=CC(=O)C=C(C(OC)=O)1)OC=2C(Cl)=3)=O))'
p2012
tp2013
sI671
(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))))))'
p2014
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))'
p2015
tp2016
sI672
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(O)=3)[O-]))'
p2017
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-]))'
p2018
tp2019
sI673
(S'COC5(C=CC4(C1(C(C2(=C(O1)C=C3(OCOC(=C2)3)))(O)COC=4C=5)))'
p2020
S'C4(OC5(=CC1(=C(C2(C(O1)C3(C=CC(O)=CC(OC2)=3))(O))C=C(O4)5)))'
p2021
tp2022
sI674
(S'C(C(=O)[O-])N(C)C(N)=[N+]'
p2023
S'C(C(=O)[O-])N(C)C(NP(=O)([O-])[O-])=[N+]'
p2024
tp2025
sI675
(S'C(=O)([O-])C1(C=C(N)C(O)=CC=1)'
p2026
S'[CH](=O)C1(=CC=C(O)C(N)=C1)'
p2027
tp2028
sI676
(S'C(=O)C1(C=CC=C(Cl)C=1)'
p2029
S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p2030
tp2031
sI677
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p2032
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))'
p2033
tp2034
sI678
(S'CCC15(C=CC[N+]4(CCC2(C3(=CC=C(C=C(NC(C(O)(C1)C(=O)OC)2)3)OC))C45))'
p2035
S'CCC15(C4(C2(C(C(C(OC)=O)(C1)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p2036
tp2037
sI679
(S'C1(=NC(=O)NC(=O)N1)C(=O)[O-].[K+]'
p2038
S'C1=NC(=O)NC(=O)N1'
p2039
tp2040
sI680
(S'C1(=CC(=CC=C1Cl)N=O)'
p2041
S'C1(=CC(=CC=C1Cl)NO)'
p2042
tp2043
sI681
(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)'
p2044
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)'
p2045
tp2046
sI682
(S'C1(NC3(N=C(N)NC(=O)C(N=C1C(O)C2(OP([O-])(=O)OC2))=3))'
p2047
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(OP(=O)([O-])[O-])CO)=2))'
p2048
tp2049
sI683
(S'C1(=CC=C2(C(=C1)C(=CN2)C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O)))'
p2050
S'C=CC(C)(C)C2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p2051
tp2052
sI684
(S'CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO'
p2053
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(CCCCCCCC=CCCCCCCCC)=O'
p2054
tp2055
sI685
(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)'
p2056
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)'
p2057
tp2058
sI686
(S'CC=CSO'
p2059
S'CC=CSS(C=CC)=O'
p2060
tp2061
sI687
(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))))'
p2062
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))))'
p2063
tp2064
sI688
(S'COC2(C=C1(C(OC(=O)C=C1)=CC=2O))'
p2065
S'COC2(=CC1(=C(OC(C=C1)=O)C=C2OC3(C(C(C(O)C(CO)O3)O)O)))'
p2066
tp2067
sI689
(S'CC(=O)NC(C([O-])=O)CSC1(=C(N)C(=O)C=C2(C1=NC3(C(O2)=CC=C([CH]=O)C=3)))'
p2068
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)))'
p2069
tp2070
sI690
(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)))'
p2071
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p2072
tp2073
sI691
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p2074
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p2075
tp2076
sI692
(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)))'
p2077
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)))'
p2078
tp2079
sI693
(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'
p2080
S'C(C2(C(C(O)C(N1(C(N=C(C(O)=C1)N)=O))O2)O))OP([O-])([O-])=O'
p2081
tp2082
sI694
(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))))'
p2083
S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p2084
tp2085
sI695
(S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)O)C))C'
p2086
S'C=CC2(CC[CH]3(C1(CCC(C([CH]1CC(C(=C2)3)=O)(C)C)O)C))C'
p2087
tp2088
sI696
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p2089
S'CC(C)=CC(O)CC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p2090
tp2091
sI697
(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))))'
p2092
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))))'
p2093
tp2094
sI698
(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)))'
p2095
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)))'
p2096
tp2097
sI699
(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'
p2098
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)'
p2099
tp2100
sI700
(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)))'
p2101
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)))'
p2102
tp2103
sI701
(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)))'
p2104
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)))'
p2105
tp2106
sI702
(S'C=CC1(C)(CC2(=CCC3(C(C)(CO)CCCC(C)(C(CC1)2)3)))'
p2107
S'C=CC1(C)(CC2(=CCC3(C(C)(C(O)O)CCCC(C)(C(CC1)2)3)))'
p2108
tp2109
sI703
(S'C1(N=C(C2(=C(N=1)N=CN2))NCC3(=CC=CO3))'
p2110
S'C(C1(OC(C(C(C1O)O)O)N3(C2(N=CN=C(C=2N=C3)NCC4(=CC=CO4)))))O'
p2111
tp2112
sI704
(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)'
p2113
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)'
p2114
tp2115
sI705
(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)'
p2116
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'
p2117
tp2118
sI706
(S'C1(CC(=O)N1C(C(=O)[O-])C(O)CC[N+])'
p2119
S'C([N+])CC2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p2120
tp2121
sI707
(S'C(=O)([O-])C1(=CC([N+](=O)[O-])=CC=C(N)1)'
p2122
S'C(C1(C=C([N+](=O)[O-])C=CC=1O))([O-])=O'
p2123
tp2124
sI708
(S'COC1(C=C(C(=CC=1)C3(CC2(C(=CC(=CC=2)O)OC3)))O)'
p2125
S'COC1(=CC(OC)=CC=C1C3(CC2(C(=CC(=CC=2)O)OC3)))'
p2126
tp2127
sI709
(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)'
p2128
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)'
p2129
tp2130
sI710
(S'C([CH]=O)=CC(C(=O)[O-])=C(O)C(=O)[O-]'
p2131
S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p2132
tp2133
sI711
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p2134
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p2135
tp2136
sI712
(S'CC2(=C4(C3(CC1(C)([CH](C(C)(C)CC1)[CH](CC2)3))(C(C)CC4)))'
p2137
S'CC2(=C4(C3(CC1(C)([CH](C(C)(C)CC1)[CH](CC(=O)2)3))(C(C(OC)=O)CC4)))'
p2138
tp2139
sI713
(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)))'
p2140
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)))'
p2141
tp2142
sI714
(S'COC1(C=C(C=CC=1O)CC[N+])'
p2143
S'COC2(=CC(CCN=CC=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=CC=C2O)'
p2144
tp2145
sI715
(S'C(=O)([O-])C1(C=CC(NO)=CC=1)'
p2146
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p2147
tp2148
sI716
(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'
p2149
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'
p2150
tp2151
sI717
(S'C1(C(=CC(O)=C(O)C(Cl)=1)O)'
p2152
S'C([O-])(=O)C(Cl)=CC(=O)CC(=O)[O-]'
p2153
tp2154
sI718
(S'C(C(O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]'
p2155
S'C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]'
p2156
tp2157
sI719
(S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p2158
S'CCCCCC(O)C=CC=CCC=CCC=CCCCC(=O)[O-]'
p2159
tp2160
sI720
(S'C1(C=C(O)C(=CC=1C(C[N+])O)O)'
p2161
S'C(=O)C(O)C1(C=CC(O)=C(O)C=1)'
p2162
tp2163
sI721
(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)'
p2164
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)'
p2165
tp2166
sI722
(S'C(O)C1(C(O)C(O)C(O)C(OP([O-])([O-])=O)C=1)'
p2167
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)'
p2168
tp2169
sI723
(S'O=[Se](=O)([O-])[O-]'
p2170
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)))'
p2171
tp2172
sI724
(S'C(=O)(N)NC(=O)N'
p2173
S'C(N)(NC([O-])=O)=O'
p2174
tp2175
sI725
(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)))'
p2176
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)))'
p2177
tp2178
sI726
(S'C([O-])(=O)C1(C(O)=CC2(C=CC=CC(N=1)=2))'
p2179
S'C([O-])(=O)C1(C(O)=C(O)C2(C=CC=CC(N=1)=2))'
p2180
tp2181
sI727
(S'C1(C=CC(=CC=1)C2(=CC=CC(O)C(O)2))'
p2182
S'C1(C=CC(=CC=1)C2(=CC=CC(O)=C(O)2))'
p2183
tp2184
sI728
(S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p2185
S'CC24(CCC(=O)C=C(CC[CH]1([CH]3(CCC(C(=O)CO)C(CO)(CC(O)[CH]12)3)))4)'
p2186
tp2187
sI729
(S'CCCCCCCCCCCCCCCC([O-])=O'
p2188
S'CCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p2189
tp2190
sI730
(S'C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=CC=2)'
p2191
S'C(OC1(C(O)C(O)C=C(C([O-])=O)C1))(=O)C=CC2(C=CC(O)=C(O)C=2)'
p2192
tp2193
sI731
(S'C(C1(C=CC=CC=1))O'
p2194
S'C(C1(C=CC=CC=1O))O'
p2195
tp2196
sI732
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C'
p2197
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(O)CC3)))CC4)))C'
p2198
tp2199
sI733
(S'C1(=CC=C(C([O-])=O)C=N1)'
p2200
S'C1(=C(C([O-])=O)C=CC=[N+](C)1)'
p2201
tp2202
sI734
(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)'
p2203
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)'
p2204
tp2205
sI735
(S'C1(C=C(C(=CC=1C3(=C(C(C2(=C(C=C(C(=C2O3)O)O)O))=O)[O-]))O)O)'
p2206
S'COC3(C(=CC(=C2(C(C(=C(C1(=CC=C(C(=C1)O)O))OC2=3)[O-])=O))O)O)'
p2207
tp2208
sI736
(S'C(C=CC(S(=O)(=O)[O-])=CC(=O)[O-])([O-])=O'
p2209
S'C([O-])(=O)CC1(S(=O)(=O)[O-])(C=CC(=O)O1)'
p2210
tp2211
sI737
(S'CC1(CCCC2(C3(CCC4(CC(CCC12)3C=C4C([O-])=O)))C)C'
p2212
S'CC1(CCCC2(C)(C3(CCC4(CC(CCC12)3C=C4C([O-])=O))))C=O'
p2213
tp2214
sI738
(S'C([N+])C1(OC=C(COP([O-])(=O)[O-])C=1)'
p2215
S'C([N+])C1(OC=C(COP([O-])(=O)OP([O-])([O-])=O)C=1)'
p2216
tp2217
sI739
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p2218
S'C2(=C(C1(C(O)=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p2219
tp2220
sI740
(S'COC1(=CC=C(C=C1)C3(=C([O-])C(=O)C2(=C(O)C=C(O)C=C2O3)))'
p2221
S'COC1(C=CC(=CC=1)C2(OC3(C(C(=O)C(O)=2)=C(O)C=C(OC)C=3)))'
p2222
tp2223
sI741
(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))'
p2224
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))'
p2225
tp2226
sI742
(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)'
p2227
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)))'
p2228
tp2229
sI743
(S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)NO'
p2230
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'
p2231
tp2232
sI744
(S'[CH](=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p2233
S'C(O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p2234
tp2235
sI745
(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))'
p2236
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))'
p2237
tp2238
sI746
(S'C1(C=C(O)N=C(O)C=1C(=O)[O-])'
p2239
S'C(=CC(=O)[O-])C(N)=O'
p2240
tp2241
sI747
(S'C([O-])(=O)CCCCCCS'
p2242
S'CC(O)C(NC(CCCCCCS)=O)C(=O)[O-]'
p2243
tp2244
sI748
(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'
p2245
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'
p2246
tp2247
sI749
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p2248
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))))'
p2249
tp2250
sI750
(S'C1(CC(C([O-])=O)[N+]1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p2251
S'C1(CC(C([O-])=O)N1CC(O)C([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p2252
tp2253
sI751
(S'C(=C(Cl)Cl)Cl'
p2254
S'C(Cl)(Cl)=C(Cl)Cl'
p2255
tp2256
sI752
(S'CC([CH]1(C(C(O)C(O1)=O)O))O'
p2257
S'CC(O)C(O)C(O)C(O)C([O-])=O'
p2258
tp2259
sI753
(S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p2260
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))))'
p2261
tp2262
sI754
(S'C(C(C(C(C(C([O-])=O)=O)=O)O)O)O'
p2263
S'C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)'
p2264
tp2265
sI755
(S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p2266
S'CCC1(OC1CC=CCC=CCCCCCCCC(=O)[O-])'
p2267
tp2268
sI756
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p2269
S'C=C3(C2(CC[CH]4(C15(CCCC([CH]1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O))))'
p2270
tp2271
sI757
(S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p2272
S'C2(OC3(=C(C=C(OC1(C(C(C(O)C(O1)CO)O)O))2)C=CC=C(O)3))(=O)'
p2273
tp2274
sI758
(S'COC1(=C(OC2(C=C(O)C=C(O)C(C(=O)1)=2))C3(=CC(O)=C(O)C(O)=C3))'
p2275
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p2276
tp2277
sI759
(S'C2(C=CC(C=CC(C1(=C(C=C(C=C(O)1)O)O))=O)=CC=2)'
p2278
S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p2279
tp2280
sI760
(S'COC1(C=CC3(=C(C(OC)=1)C=[N+]4(CCC2(=CC(OC)=C(O)C=C2C(=C3)4))))'
p2281
S'C2(CC1(C=C(OC)C(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(C=[N+]23)4)))OC))'
p2282
tp2283
sI761
(S'CC(C)C(NC)C(=O)NC(CC2(C1(C=CC=CC=1NC=2)))CO'
p2284
S'CC(C)C3(C(NC(CO)CC2(=CNC1(C=CC=C(C=12)N(C)3)))=O)'
p2285
tp2286
sI762
(S'CSCCCC(C([O-])=O)[N+]'
p2287
S'CSCCCC=NO'
p2288
tp2289
sI763
(S'C(C=CC=C(C(=O)[O-])O)(OC1(=CC=CC=C1O))=O'
p2290
S'C1(C=CC(=C(C=1)O)O)'
p2291
tp2292
sI764
(S'C1(C=C(C(O)=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p2293
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p2294
tp2295
sI765
(S'CCNC1(=NC(NC(C)C)=NC(O)=N1)'
p2296
S'CC(NC1(N=C(O)N=C(N=1)O))C'
p2297
tp2298
sI766
(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))))'
p2299
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p2300
tp2301
sI767
(S'C(=O)([O-])C=CC(=O)C(Cl)C(=O)[O-]'
p2302
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p2303
tp2304
sI768
(S'C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O'
p2305
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))'
p2306
tp2307
sI769
(S'C(OP([O-])(=O)[O-])C(O)C(O)C([N+])CC(=O)C(=O)[O-]'
p2308
S'C(=O)([O-])C1(O)(CC(=O)C(O)C([N+])C1)'
p2309
tp2310
sI770
(S'C(O)C(O)C1(C=CC(O)=C(O)C=1)'
p2311
S'C(=O)C(O)C1(C=CC(O)=C(O)C=1)'
p2312
tp2313
sI771
(S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)CO)O)O))C)C'
p2314
S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O))C)C'
p2315
tp2316
sI772
(S'COC1(=C(O)C(=CC(C(=O)[O-])=C1)C2(=CC(C(=O)[O-])=CC(OC)=C(O)2))'
p2317
S'COC2(C=C(C(=O)[O-])C=C(C1(=CC(C(=O)[O-])=CC(O)=C(O)1))C(O)=2)'
p2318
tp2319
sI773
(S'C1(CC(C([O-])=O)[N+]1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p2320
S'C(C(CC[N+]1(C(CC1)C([O-])=O))[N+]CCC(C([O-])=O)=O)([O-])=O'
p2321
tp2322
sI774
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p2323
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p2324
tp2325
sI775
(S'CC1(C=CC(=CC(O)=1)C([O-])=O)'
p2326
S'CC1(C(O)=CC(C(=O)[O-])=C(O)C=1)'
p2327
tp2328
sI776
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)C2=C3)))'
p2329
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)))'
p2330
tp2331
sI777
(S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p2332
S'CN2(C1(=C(NC=N1)C(=O)N(C)C(=O)2))'
p2333
tp2334
sI778
(S'CC2(C)(OC1(C)(CCC(CC(=O)1)2))'
p2335
S'CC2(C)(OC1(C)(CCC(CC(=O)O1)2))'
p2336
tp2337
sI779
(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))'
p2338
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))'
p2339
tp2340
sI780
(S'CC(=CCCC([CH]1(CCC(=CC1)C))=C)C'
p2341
S'CC1(CCC(CC=1)C2(=CCCC(C)(C)C2))'
p2342
tp2343
sI781
(S'C([O-])(=O)C(Cl)C1(OC(=O)C=C1)'
p2344
S'C([O-])(=O)C=CC=C(C([O-])=O)Cl'
p2345
tp2346
sI782
(S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C=O)C)CC=C2C=3)C)))C'
p2347
S'CC(C)C1(=CC2([CH](CC1)C3(C)([CH](CC=2)C(C([O-])=O)(C)CCC3)))'
p2348
tp2349
sI783
(S'COC3(=C(OC)C=CC(CC1([N+](CCC2(C1=CC(=C(OC)C=2)OC))C))=C3)'
p2350
S'COC3(=C(OC)C=CC(CC1([N+]CCC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p2351
tp2352
sI784
(S'C6(=CC5(C4(=C(C2(NC1(C(Cl)=CC=CC=1C=2C3(=C(C(=O)NC(=O)3)4))))NC=5C(Cl)=C6)))'
p2353
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)'
p2354
tp2355
sI785
(S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p2356
S'COC2(C=CC1(=C(C(CCN)=CN1)C=2))'
p2357
tp2358
sI786
(S'C[N+]1(CCCC=1)'
p2359
S'CC(CC1([N+](CCC1)C))=O'
p2360
tp2361
sI787
(S'C1(C=CC(CCO)=CC=1)'
p2362
S'CC(OCCC1(C=CC=CC=1))=O'
p2363
tp2364
sI788
(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)'
p2365
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)'
p2366
tp2367
sI789
(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)'
p2368
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)'
p2369
tp2370
sI790
(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)'
p2371
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)'
p2372
tp2373
sI791
(S'C[N+]1(C2(CC(O)CC1CC2))'
p2374
S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(O)CC3(C=CC=CC=3)))'
p2375
tp2376
sI792
(S'C(NC(NO)=[N+])CCC([N+])C([O-])=O'
p2377
S'C(=O)(N)NO'
p2378
tp2379
sI793
(S'C([N+])CS([O-])=O'
p2380
S'[CH](=O)CS(=O)[O-]'
p2381
tp2382
sI794
(S'C1(C=C3(C(=CC=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p2383
S'C1(C=C3(C(=CC(O)=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p2384
tp2385
sI795
(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'
p2386
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'
p2387
tp2388
sI796
(S'CC(CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))CO'
p2389
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)'
p2390
tp2391
sI797
(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)))))'
p2392
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))))))'
p2393
tp2394
sI798
(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-]))'
p2395
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))))))'
p2396
tp2397
sI799
(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)))'
p2398
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)))'
p2399
tp2400
sI800
(S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p2401
S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p2402
tp2403
sI801
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p2404
S'C1(C=C(O)C(=CC=1C(C[N+])O)O)'
p2405
tp2406
sI802
(S'C(O)CCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p2407
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)'
p2408
tp2409
sI803
(S'CC1(=C(C=C(C=N1)C([O-])=O)O)'
p2410
S'CC(=O)NC=C(CC([O-])=O)C([O-])=O'
p2411
tp2412
sI804
(S'CC1(=C(O)C(O)=C(Cl)C(Cl)=C1)'
p2413
S'CC(C([O-])=O)=CC(Cl)=C(C([O-])=O)Cl'
p2414
tp2415
sI805
(S'C(C[N+])OP([O-])([O-])=O'
p2416
S'C[N+]CCOP([O-])([O-])=O'
p2417
tp2418
sI806
(S'CC1(C=CC=C(C=1)C)'
p2419
S'CC1(C=C(C=CC=1)CO)'
p2420
tp2421
sI807
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)NC2(C=CC=CC(C(=O)[O-])=2))'
p2422
S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CNC1(C=CC=CC(C(=O)[O-])=1)'
p2423
tp2424
sI808
(S'C(C1(C(=CC(=CC=1)O)O))([O-])=O'
p2425
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=C(C(O)=C1C)O)O))C)C)C)C)C)C'
p2426
tp2427
sI809
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p2428
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)))'
p2429
tp2430
sI810
(S'CC(C3(=CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p2431
S'CC(C3(=CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p2432
tp2433
sI811
(S'C1(C(O)=CC(=C(C=1)O)Cl)'
p2434
S'C(Cl)(=O)C=C([O-])C=CC(=O)[O-]'
p2435
tp2436
sI812
(S'C1(=C(NC=N1)CC[N+])'
p2437
S'C1(NC=NC(CC=O)=1)'
p2438
tp2439
sI813
(S'CC(=CCCC(=CCO)C)C'
p2440
S'CC(C)=CCCC(C)=CC=O'
p2441
tp2442
sI814
(S'C1(C=CC(=C(C=1)O)O)'
p2443
S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p2444
tp2445
sI815
(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)'
p2446
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)'
p2447
tp2448
sI816
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p2449
S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP([O-])([O-])=O'
p2450
tp2451
sI817
(S'C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p2452
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP(=O)([O-])[O-])=2))'
p2453
tp2454
sI818
(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))))'
p2455
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))))'
p2456
tp2457
sI819
(S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p2458
S'COC1(C=C2(OC(CC(C(=C(C=1)O)2)=O)C3(C=CC=CC=3)))'
p2459
tp2460
sI820
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p2461
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p2462
tp2463
sI821
(S'CCCCCC1(=CC2(OC(CCC=C(C)C)(C=CC(C(=C1C([O-])=O)O)=2)C))'
p2464
S'CCCCCC1(=CC2(OC(CCC=C(C)C)(C=CC(C(=C1)O)=2)C))'
p2465
tp2466
sI822
(S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p2467
S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N(C)2))'
p2468
tp2469
sI823
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p2470
S'C([O-])(=O)CC1(=C(O)NC2(C=CC=CC1=2))'
p2471
tp2472
sI824
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p2473
S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p2474
tp2475
sI825
(S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1C2CCC(C)34))))'
p2476
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p2477
tp2478
sI826
(S'C(O)CSCCS(=O)(=O)[O-]'
p2479
S'[CH](=O)CSCCS(=O)(=O)[O-]'
p2480
tp2481
sI827
(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'
p2482
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'
p2483
tp2484
sI828
(S'C([O-])(=O)C1(=CC=CC(C1O)O)'
p2485
S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p2486
tp2487
sI829
(S'C(C(=O)CO)OP([O-])([O-])=O'
p2488
S'CC(C(C(COP([O-])(=O)[O-])=O)O)=O'
p2489
tp2490
sI830
(S'CC(C)=CCC1(=C3(C(=C(C=C1[O-])O)C(CC(C2(C=CC(=CC(O)=2)O))O3)=O))'
p2491
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'
p2492
tp2493
sI831
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p2494
S'CC(C)C(C(=O)[O-])NC(=O)CC2(=CNC1(C=CC=CC=12))'
p2495
tp2496
sI832
(S'C(C(C(C(C(CO)O)O)O)O)O'
p2497
S'C(O)C(=O)C(O)C(O)C(O)CO'
p2498
tp2499
sI833
(S'CC(C1(C=CC(CO)=CC=1))C'
p2500
S'CC(C1(C=CC(C=O)=CC=1))C'
p2501
tp2502
sI834
(S'CSCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p2503
S'CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p2504
tp2505
sI835
(S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p2506
S'C([O-])(=O)CC=CC(=O)C(=O)[O-]'
p2507
tp2508
sI836
(S'CCCCCCCCCC(CC([O-])=O)=O'
p2509
S'CCCCCCCCCC(=O)C'
p2510
tp2511
sI837
(S'CC(O)C[N+]'
p2512
S'CC(C[N+])=O'
p2513
tp2514
sI838
(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'
p2515
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'
p2516
tp2517
sI839
(S'C2(C1(O)(NC(=O)NC1=NC(=O)N2))(=O)'
p2518
S'C(C1(O)(NC(=O)N=C1NC(N)=O))(=O)[O-]'
p2519
tp2520
sI840
(S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C=C1C=2))C(=O)C=3))'
p2521
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C(O)=C1C=2))C(=O)C=3))'
p2522
tp2523
sI841
(S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C)C)CC=C2C=3)C)))C'
p2524
S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(CO)C)CC=C2C=3)C)))C'
p2525
tp2526
sI842
(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)))))'
p2527
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'
p2528
tp2529
sI843
(S'C1(=CN(C(=O)N=C(N)1)C2(CC(O)C(CO)O2))'
p2530
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p2531
tp2532
sI844
(S'C=C(C1(CCC(O)(C)C(=O)C1))C'
p2533
S'C=C(C)C1(CC(=O)OC(C)(O)CC1)'
p2534
tp2535
sI845
(S'C(=O)(CC1(C=CC(=O)O1))[O-]'
p2536
S'[CH]([CH]=CC([O-])=O)=[CH]C([O-])=O'
p2537
tp2538
sI846
(S'C1(C=C(O)C(Cl)=CC=1Cl)'
p2539
S'C1(C(Cl)=CC(=C(C(Cl)=1)O)O)'
p2540
tp2541
sI847
(S'COC1(C(O)=CC(=CC=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p2542
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p2543
tp2544
sI848
(S'C(C([N+])C(=O)[O-])S(=O)(=O)[O-]'
p2545
S'C(=O)([O-])C(=O)CS(=O)(=O)[O-]'
p2546
tp2547
sI849
(S'CC1(O)(CC(=O)C3(C(O1)=CC(O)=CC(CC2(OC(=O)C=C([O-])C=2))=3))'
p2548
S'CC1(=CC(O)=C3(C(=C1)CC2(=CC=CC(O)=C2C(=O)3)))'
p2549
tp2550
sI850
(S'C2(C(=CC(=C1(C(O)=CC(O)=CC1=2))O)O)'
p2551
S'C1(C2(=C(C(O)=CC(O)=1)C(C=C([O-])C(=O)2)=O))'
p2552
tp2553
sI851
(S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C([O-])=O'
p2554
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)'
p2555
tp2556
sI852
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C'
p2557
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C'
p2558
tp2559
sI853
(S'C([O-])(=O)C(C(O)C(=O)[O-])CC1(C=CC=CC=1)'
p2560
S'C([O-])(=O)C(C(=O)C(=O)[O-])CC1(C=CC=CC=1)'
p2561
tp2562
sI854
(S'C(O)C1(C=C(C(=O)[O-])C=CC=1O)'
p2563
S'C(=O)C1(C=C(C(=O)[O-])C=CC=1O)'
p2564
tp2565
sI855
(S'C=C(C2(CC1(C(CC(C=C1CO)=O)C)CC2))C'
p2566
S'C=C(C2(CC1(C(CC(CC(C=O)1)=O)C)CC2))C'
p2567
tp2568
sI856
(S'C(C[N+])C([O-])=O'
p2569
S'[CH](=O)CC([O-])=O'
p2570
tp2571
sI857
(S'C(O)C1(O)(CC(=O)C(O)=C(O)C(O)1)'
p2572
S'COC1(C(=O)CC(CO)(O)C(O)C(O)=1)'
p2573
tp2574
sI858
(S'CC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(C)C)C)(C1COP(OP([O-])([O-])=O)([O-])=O)C))C)C)C'
p2575
S'CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p2576
tp2577
sI859
(S'[CH](=O)C(C(=O)[O-])=CC=C(N)C(=O)[O-]'
p2578
S'[CH](=O)C(C(=O)[O-])=CC=C(O)C([O-])=O'
p2579
tp2580
sI860
(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))'
p2581
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))'
p2582
tp2583
sI861
(S'CC(N(O)CCC[N+])=O'
p2584
S'CC(=O)N(O)CCCNC(=O)CC(O)(C([O-])=O)CC(NCCCN(O)C(=O)C)=O'
p2585
tp2586
sI862
(S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p2587
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'
p2588
tp2589
sI863
(S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)OC))CC3(=CC=C(C=C3)O))'
p2590
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC=C(C=C3)O))C)'
p2591
tp2592
sI864
(S'COC1(C(=CC=C([CH]=O)C=1)O)'
p2593
S'COC1(=CC(=CC=C(O)1)C(=O)[O-])'
p2594
tp2595
sI865
(S'C1(C=CC(N)=CC=1)'
p2596
S'C(CCC(C(=O)[O-])[N+])(NC1(=CC=CC=C1))=O'
p2597
tp2598
sI866
(S'CC[CH]=O'
p2599
S'CCC(=O)[O-]'
p2600
tp2601
sI867
(S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)C)=1)'
p2602
S'CCC1(C=CC=C(CC)C(NC(=O)CCl)=1)'
p2603
tp2604
sI868
(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)))))'
p2605
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)))))'
p2606
tp2607
sI869
(S'CC4(C3(CCC2(C1(CCCC(C1CCC2(C3)C=4)(C)C)C)))'
p2608
S'CC4(C3(CC[CH]2(C1(CC(O)CC([CH]1CCC2(C3)C=4)(C)C)C)))'
p2609
tp2610
sI870
(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)))'
p2611
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))))'
p2612
tp2613
sI871
(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)))'
p2614
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)))'
p2615
tp2616
sI872
(S'CC1(C=CC(=CC=1)S([O-])(=O)=O)'
p2617
S'C(C1(C=CC(S(=O)(=O)[O-])=CC=1))O'
p2618
tp2619
sI873
(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))))'
p2620
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))))'
p2621
tp2622
sI874
(S'CSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p2623
S'CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p2624
tp2625
sI875
(S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(OC)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p2626
S'C[N+]4(C1(C6(=C(C(OC)=CC=1C3(=C(C2(=C(OCO2)C=C3OC))C=4))C=C5(C(OCO5)=C6))))'
p2627
tp2628
sI876
(S'CC(=O)C1(C=CC(O)=CC=1)'
p2629
S'C([O-])(=O)CC(=O)C1(C=CC(O)=CC=1)'
p2630
tp2631
sI877
(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))))'
p2632
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-])))))'
p2633
tp2634
sI878
(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)))))'
p2635
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))))))))'
p2636
tp2637
sI879
(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'
p2638
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'
p2639
tp2640
sI880
(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)'
p2641
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)'
p2642
tp2643
sI881
(S'CCCC1(C=CC=CC(O)=1)'
p2644
S'CCCC1(C=CC=C(O)C(O)=1)'
p2645
tp2646
sI882
(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))))'
p2647
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))))'
p2648
tp2649
sI883
(S'C([O-])(=O)C(CS(=O)(=O)[O-])OP(=O)([O-])[O-]'
p2650
S'C(=O)([O-])C(O)CS([O-])(=O)=O'
p2651
tp2652
sI884
(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))))'
p2653
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))))'
p2654
tp2655
sI885
(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)'
p2656
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)'
p2657
tp2658
sI886
(S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p2659
S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))CO'
p2660
tp2661
sI887
(S'[CH](=O)C(O)CO'
p2662
S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p2663
tp2664
sI888
(S'C(CP([O-])(O)=O)O'
p2665
S'C(O)P([O-])(O)=O'
p2666
tp2667
sI889
(S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))O'
p2668
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))O'
p2669
tp2670
sI890
(S'CN1(CC(=O)NC(=N)1)'
p2671
S'C1(C(=O)NC(=O)N(C)1)'
p2672
tp2673
sI891
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p2674
S'CC15(CCCC(C(C(C24(CC(CCC12)C3(OC3)(C4)))C([O-])=O)5)(C)C([O-])=O)'
p2675
tp2676
sI892
(S'C[N+]1(C2(C(O)CC1CC(C2)OC(=O)C(CO)C3(C=CC=CC=3)))'
p2677
S'CN2(C3(CC(OC(C(C1(=CC=CC=C1))CO)=O)CC2C4(OC34)))'
p2678
tp2679
sI893
(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)'
p2680
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)'
p2681
tp2682
sI894
(S'CC(C)=CCC4(C3(=C([CH]2(OC1(C(=CC=C(O)C=1)C(O)2CO3)))C=CC(O)=4))'
p2683
S'CC5(C=CC4(C(=CC=C1(C(OCC2(O)(C3(C=CC(O)=CC(O[CH]12)=3)))=4))O5))(C)'
p2684
tp2685
sI895
(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))))'
p2686
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))))'
p2687
tp2688
sI896
(S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p2689
S'CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]'
p2690
tp2691
sI897
(S'C(OP(=O)([O-])[O-])C1(OC(OP([O-])(=O)OP([O-])(=O)[O-])C(O)C(O)1)'
p2692
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(O)=CC=1))O2)'
p2693
tp2694
sI898
(S'CC2(C)(C1(CC(C)(CC1)C(O)2))'
p2695
S'C=C1(C2(C(C)(C)C(C1)CC2))'
p2696
tp2697
sI899
(S'CCC(C)C=NO'
p2698
S'CCC(C)C#N'
p2699
tp2700
sI900
(S'C(CCCCC(=CC(=O)[O-])C([O-])=O)([O-])=O'
p2701
S'C(CCCCC(C(C(=O)[O-])O)C(=O)[O-])(=O)[O-]'
p2702
tp2703
sI901
(S'CC1(C)(S[CH]2(C([N+])C(=O)N(C(C([O-])=O)1)2))'
p2704
S'CC3(C)(S[CH]2(N(C(=O)C(NC(=O)CC1(C=CC=CC=1))2)C(C(=O)[O-])3))'
p2705
tp2706
sI902
(S'CC(=O)NCCC(=O)C1(C=C(OC)C=CC(NC=O)=1)'
p2707
S'CC(=O)NCCC(=O)C1(C=C(OC)C=CC(N)=1)'
p2708
tp2709
sI903
(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)))'
p2710
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))))'
p2711
tp2712
sI904
(S'C(O)C1(OC(=O)C(O)(C(=O)[O-])C(O)1)'
p2713
S'C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O'
p2714
tp2715
sI905
(S'CC(C)(C)OCO'
p2716
S'CC(C)(C)O[CH]=O'
p2717
tp2718
sI906
(S'C(=O)C1(=CC=CC=C1)'
p2719
S'C1(C=CC(O)=C(C=O)C=1)'
p2720
tp2721
sI907
(S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)C(O)C=O'
p2722
S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(=O)CO'
p2723
tp2724
sI908
(S'CSCCCCC(=NO)S'
p2725
S'CSCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p2726
tp2727
sI909
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p2728
S'CC(=O)C(O)C(O)COP([O-])(=O)[O-]'
p2729
tp2730
sI910
(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))))'
p2731
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)'
p2732
tp2733
sI911
(S'C1(CCCC(C([O-])=O)[N+]1)'
p2734
S'C1(N=C(CCC1)C(=O)[O-])'
p2735
tp2736
sI912
(S'[CH](=O)C1(OC=CC=1)'
p2737
S'C(O)(O)C1(OC=CC=1)'
p2738
tp2739
sI913
(S'C(C(CCCNC(N)=[N+])=O)(=O)[O-]'
p2740
S'C(CC[CH]=O)NC(N)=[N+]'
p2741
tp2742
sI914
(S'CC(C)C(C([O-])=O)C(C([O-])=O)O'
p2743
S'CC(C(C(=O)[O-])C(=O)C(=O)[O-])C'
p2744
tp2745
sI915
(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)))'
p2746
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p2747
tp2748
sI916
(S'C(NC(=S)SCC(NC(=O)C([N+])CCC(=O)[O-])C(=O)NCC(=O)[O-])C1(=CNC2(=C1C=CC=C2))'
p2749
S'C1(NC2(C(C(C[N+])=1)=CC=CC=2))'
p2750
tp2751
sI917
(S'CC1(C2(C(CC(O1)(CC2)C)O))C'
p2752
S'CC2(C)(OC1(C)(CCC(CC(=O)1)2))'
p2753
tp2754
sI918
(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)))'
p2755
S'C(OP([O-])(=O)[O-])C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p2756
tp2757
sI919
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(CO)C(O)CC3)))CC4)))C'
p2758
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C([CH]=O)C(O)CC3)))CC4)))C'
p2759
tp2760
sI920
(S'CSCCCCC=NO'
p2761
S'CSCCCCC#N=O'
p2762
tp2763
sI921
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p2764
S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p2765
tp2766
sI922
(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-])))'
p2767
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'
p2768
tp2769
sI923
(S'C(O)(C([O-])=O)NC(N)=O'
p2770
S'[CH](C(=O)[O-])=O'
p2771
tp2772
sI924
(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))'
p2773
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))'
p2774
tp2775
sI925
(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-])))'
p2776
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'
p2777
tp2778
sI926
(S'CN1(C(=O)C34(SSC(CO)1C(=O)N([CH]2(C(=CC=CC(O)2)C3))4))'
p2779
S'CN1(C(=O)C2(S)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p2780
tp2781
sI927
(S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CC([N+])C(=O)[O-]'
p2782
S'C(=O)([O-])C1(C=C(N)C(O)=CC=1)'
p2783
tp2784
sI928
(S'CC45(CCC(O)CC(CCC3(C(CCC2(C)(C(C1(COC(=O)C=1))CCC(O)23))4))5)'
p2785
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)'
p2786
tp2787
sI929
(S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p2788
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p2789
tp2790
sI930
(S'CC1(=C(O)C(O)=C(Cl)C=C(Cl)1)'
p2791
S'CC(C([O-])=O)=C(Cl)C=C(C([O-])=O)Cl'
p2792
tp2793
sI931
(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))'
p2794
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))'
p2795
tp2796
sI932
(S'C(CCC(C(=O)[O-])N1(CCC(=O)1))NC(=[N+])N'
p2797
S'C1(CCN(C(C(CCNC(N)=[N+])O)C(=O)[O-])1)=O'
p2798
tp2799
sI933
(S'CC1(C=CC(=CC=1)O)'
p2800
S'CC1(C=CC(O)=C(C=1)O)'
p2801
tp2802
sI934
(S'C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)'
p2803
S'C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)'
p2804
tp2805
sI935
(S'CC1(C)([CH]2(CC(=O)C1(CC(O)2)C))'
p2806
S'CC1(C)([CH]2(CC(=O)C(C)1CC(=O)2))'
p2807
tp2808
sI936
(S'C(=O)([O-])C([N+])CC(O)CP(=O)([O-])O'
p2809
S'C(=O)([O-])C([N+])C=CCP([O-])(=O)O'
p2810
tp2811
sI937
(S'CC(=O)C'
p2812
S'CC(=O)CO'
p2813
tp2814
sI938
(S'CSCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p2815
S'CS(=O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p2816
tp2817
sI939
(S'CC(=CC=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p2818
S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p2819
tp2820
sI940
(S'CC(=O)NC(C([O-])=O)CCCNC(=O)N'
p2821
S'C(NC(N)=O)CCC([N+])C(=O)[O-]'
p2822
tp2823
sI941
(S'C([N+])C([O-])=O'
p2824
S'C(C(C[N+])=O)CC([O-])=O'
p2825
tp2826
sI942
(S'C(CCCCCCCC1(=CC=C(O)C=C1))CCCCCCCCC(=O)[O-]'
p2827
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'
p2828
tp2829
sI943
(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'
p2830
S'CCCCCCCCCCCC(CC(NC1(C(C(C(OC1OP([O-])(=O)[O-])CO)O)OC(CC(CCCCCCCCCCC)O)=O))=O)O'
p2831
tp2832
sI944
(S'C1(C=CC(=CC=1)CC(=NOS(=O)(=O)[O-])[S-])'
p2833
S'C(C1(C=CC=CC=1))N=C=S'
p2834
tp2835
sI945
(S'CC2(C=C(O)C3(C(=O)C1(C(OC)=CC(=O)C=C(C(OC)=O)1)OC(C=2)=3))'
p2836
S'CC2(C=C(OC1(=C(C(OC)=O)C=C(O)C=C(OC)1))C(C([O-])=O)=C(O)C=2)'
p2837
tp2838
sI946
(S'C(C=CC1(C=C(O)C=CC=1))(=O)[O-]'
p2839
S'C(C=CC1(C(O)=C(O)C=CC=1))(=O)[O-]'
p2840
tp2841
sI947
(S'C[N+]1(CCCC=1)'
p2842
S'C[N+]1(CCCC1CC(CC([O-])=O)=O)'
p2843
tp2844
sI948
(S'CC1(C)(OC23(OC1C(=O)C=C2C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p2845
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))'
p2846
tp2847
sI949
(S'C(C(O)CC(=O)[O-])[N+](C)(C)C'
p2848
S'CC(=O)OC(C[N+](C)(C)C)CC(=O)[O-]'
p2849
tp2850
sI950
(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'
p2851
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'
p2852
tp2853
sI951
(S'CC1(C(O)=CC(C(=O)[O-])=C(O)C=1)'
p2854
S'CC(C(CC(=O)C([O-])=O)=O)=CC([O-])=O'
p2855
tp2856
sI952
(S'C1(C=C6(OCOC(=CC=1C2(OCC3(C(OCC23)C4(=CC5(OCOC(C=C(O)4)=5)))))6))'
p2857
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))'
p2858
tp2859
sI953
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p2860
S'CC(C)=CCCC(C)[CH]1(CCC3(C)([CH]1CC=C(C)[CH]2(CCC(O)(C)[CH]2C3)))'
p2861
tp2862
sI954
(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'
p2863
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)'
p2864
tp2865
sI955
(S'CC=C1(CC(C(O)(C)C(=O)OCC2(=CCN3(CCC(OC(=O)1)C23)))C)'
p2866
S'CC=C1(CC(C(O)(C)C(=O)OCC2(=CC[N+]3(O)(CCC(OC(=O)1)C23)))C)'
p2867
tp2868
sI956
(S'CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))'
p2869
S'CC1(C)(S[CH]2(C([N+])C(=O)N(C(C([O-])=O)1)2))'
p2870
tp2871
sI957
(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))'
p2872
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))'
p2873
tp2874
sI958
(S'C(C1(=CNC2(=C1C=CC=C2)))N=C=S'
p2875
S'C3(NC4(C(C(CC2(O)(C(=O)O[CH]1(C(O)COC(O)12)))=3)=CC=CC=4))'
p2876
tp2877
sI959
(S'CC(=C3(CC[CH]2(C1(C(C(CCC1)(C)C)CCC2=C3)C)))C'
p2878
S'CC(=C3(CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p2879
tp2880
sI960
(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))))'
p2881
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))))'
p2882
tp2883
sI961
(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'
p2884
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+]'
p2885
tp2886
sI962
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p2887
S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(O)N=CN=C23)))'
p2888
tp2889
sI963
(S'C(Cl)(=O)C=CC=C(O)C(=O)[O-]'
p2890
S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p2891
tp2892
sI964
(S'CC3(O)(OC2(C(=C(O)C1(=C(O)C=C(O)C=C1C=2))C(=O)C3))'
p2893
S'CC3(OC2(C(=C(O)C1(=C(O)C=C(O)C=C1C=2))C(=O)C=3))'
p2894
tp2895
sI965
(S'C2(C1(=C(OC(=O)C=C1)C=C(O)C=2))'
p2896
S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p2897
tp2898
sI966
(S'CC(C(=O)[O-])=CC=C(N)C([O-])=O'
p2899
S'CC(C=CC(C(=O)[O-])=O)C([O-])=O'
p2900
tp2901
sI967
(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)'
p2902
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)'
p2903
tp2904
sI968
(S'[Pb]=S'
p2905
S'O=S([O-])([O-])=O'
p2906
tp2907
sI969
(S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)OC)))'
p2908
S'COC3(=C(OC)C=CC(CC1([N+]CCC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p2909
tp2910
sI970
(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))))'
p2911
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))))'
p2912
tp2913
sI971
(S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p2914
S'CN1(C(=O)NC2(=C1C(=O)NC(=O)N2))'
p2915
tp2916
sI972
(S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p2917
S'C(=O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p2918
tp2919
sI973
(S'C(=O)([O-])CC(O)(C([O-])=O)CC1(C=CC=CC=1)'
p2920
S'C([O-])(=O)C(C(O)C(=O)[O-])CC1(C=CC=CC=1)'
p2921
tp2922
sI974
(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-]'
p2923
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-]'
p2924
tp2925
sI975
(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)))'
p2926
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)))'
p2927
tp2928
sI976
(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)))'
p2929
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)'
p2930
tp2931
sI977
(S'C=C'
p2932
S'C1(OC1)'
p2933
tp2934
sI978
(S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p2935
S'CC2(=C(C(=O)C1(C(O)=C(Cl)C(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p2936
tp2937
sI979
(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'
p2938
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)'
p2939
tp2940
sI980
(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-]'
p2941
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-]'
p2942
tp2943
sI981
(S'C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)'
p2944
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p2945
tp2946
sI982
(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)'
p2947
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)'
p2948
tp2949
sI983
(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'
p2950
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'
p2951
tp2952
sI984
(S'C1(NC(N)=O)(NC(=O)NC(=O)1)'
p2953
S'C(C(=O)[O-])(NC(=O)N)NC(=O)N'
p2954
tp2955
sI985
(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))'
p2956
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))'
p2957
tp2958
sI986
(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'
p2959
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'
p2960
tp2961
sI987
(S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)O))C'
p2962
S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)OC))C'
p2963
tp2964
sI988
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p2965
S'C(N)CC1(=CNC2(=C1C=C(OS(=O)(=O)O)C=C2))'
p2966
tp2967
sI989
(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)))'
p2968
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)))'
p2969
tp2970
sI990
(S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(=O)C(=O)2))'
p2971
S'C2(C(=NC3(C(=O)C(=O)C1(C=C(C(=O)[O-])NC=1C(C=2C(=O)[O-])=3)))C(=O)[O-])'
p2972
tp2973
sI991
(S'C=C1(C2(CC(C(C)(C)1)C(C)(C)C2))'
p2974
S'CC2(C)(C1(CC(C(=O)C(C)(C)1)C2))'
p2975
tp2976
sI992
(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'
p2977
S'CC(=O)N(O)CCCP([O-])(=O)O'
p2978
tp2979
sI993
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p2980
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p2981
tp2982
sI994
(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)'
p2983
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)'
p2984
tp2985
sI995
(S'C2(=CC=C(O)C(C1(C=CC=CC(O)=1))=C2)'
p2986
S'C1(C=CC(=C(C=1)C2(=CC=CC(=C(O)2)O))O)'
p2987
tp2988
sI996
(S'CSCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p2989
S'CSCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p2990
tp2991
sI997
(S'C=C(C)C1(CCC2(C1)(C(C)CC(O)CC(C=O)2))'
p2992
S'C=C(C2(CC1(C(C(C(CC1C=O)O)O)C)CC2))C'
p2993
tp2994
sI998
(S'C(Cl)C1(C(O)C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23)))'
p2995
S'C(Cl)C1(C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p2996
tp2997
sI999
(S'C(C([O-])=O)C(=O)C([O-])=O'
p2998
S'CCCCC1(=CN=C(C(=O)[O-])C=C1)'
p2999
tp3000
sI1000
(S'C2(N=C(O)N=C(NC1(CC1))N=2)(N)'
p3001
S'C1(=NC(O)=NC(=N1)O)(NC2(CC2))'
p3002
tp3003
sI1001
(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))'
p3004
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))'
p3005
tp3006
sI1002
(S'CSCCCCCC(C([O-])=O)[N+]'
p3007
S'CSCCCCCC=NO'
p3008
tp3009
sI1003
(S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C([O-])=O)C))C'
p3010
S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)O)C))C'
p3011
tp3012
sI1004
(S'CC(C(C([O-])=O)=O)C'
p3013
S'CC(C(O)(CC(=O)[O-])C([O-])=O)C'
p3014
tp3015
sI1005
(S'C(C1(C=C([N+](=O)[O-])C=CC=1O))([O-])=O'
p3016
S'C(C=CC([N+]([O-])=O)=CC(=O)C(=O)[O-])(=O)[O-]'
p3017
tp3018
sI1006
(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'
p3019
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)'
p3020
tp3021
sI1007
(S'C[N+](C)(C[CH]=O)C'
p3022
S'C[N+](C)(CC([O-])=O)C'
p3023
tp3024
sI1008
(S'C1(C=C(C=CC=1Cl)Cl)'
p3025
S'C1(=C(Cl)C(O)C(O)C(=C1)Cl)'
p3026
tp3027
sI1009
(S'C(C(C(O)C([O-])=O)C([O-])=O)P([O-])(O)=O'
p3028
S'C(CC(=O)C(=O)[O-])P([O-])(O)=O'
p3029
tp3030
sI1010
(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'
p3031
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'
p3032
tp3033
sI1011
(S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)C(O)CC3)))'
p3034
S'C=CC3(C(C)C2(C(C1(CCC(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p3035
tp3036
sI1012
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1NC(C)=2))=O)'
p3037
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1N(C(C)=2)O))=O)'
p3038
tp3039
sI1013
(S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p3040
S'C(C=CC(C(=O)[O-])=CC(=O)[O-])([O-])=O'
p3041
tp3042
sI1014
(S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=CC=C(C=3)O)'
p3043
S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))O))=CC=C(C=3)O)'
p3044
tp3045
sI1015
(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)))'
p3046
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))'
p3047
tp3048
sI1016
(S'C([O-])(=O)C1(CC([N+])C(O)C(=O)C=1)'
p3049
S'C(=O)([O-])C1(C=C(O)C=C(N)C=1)'
p3050
tp3051
sI1017
(S'CC(C2(CCC(=C1([CH](C=C(CC1)C)2))C))C'
p3052
S'CC(C2(=CC(=C(C1(=C(C=C(C(=C1)O)C)2))C)O))C'
p3053
tp3054
sI1018
(S'COC4(C(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)O)'
p3055
S'C5(C(CC2(=CC1(=C(OCO1)C=C2)))C(CC4(=CC=C3(C(OCO3)=C4)))C(O5)=O)'
p3056
tp3057
sI1019
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p3058
S'C(C(=O)CO)OP([O-])([O-])=O'
p3059
tp3060
sI1020
(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)'
p3061
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)))'
p3062
tp3063
sI1021
(S'CC(O)C(O)CC(=O)C([O-])=O'
p3064
S'CC(O)C(=O)CC(=O)C([O-])=O'
p3065
tp3066
sI1022
(S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(O)CCC(C)1[CH]2CCC(C)34))))'
p3067
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p3068
tp3069
sI1023
(S'CC1(C(O)C(O)C(Cl)=CC(Cl)=1)'
p3070
S'CC1(=C(O)C(O)=C(Cl)C=C(Cl)1)'
p3071
tp3072
sI1024
(S'C1(=CC(=CC=C1Cl)NO)'
p3073
S'C1(C=C(C(=CC=1Cl)O)N)'
p3074
tp3075
sI1025
(S'C1(C=CC2(NC(=O)C(=O)C(C=1)=2))'
p3076
S'C1(C=CC(N)=C(C=1)C(=O)C(=O)[O-])'
p3077
tp3078
sI1026
(S'C(=O)([O-])C([N+])CCCCCCSC'
p3079
S'CSCCCCCCC=NO'
p3080
tp3081
sI1027
(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)'
p3082
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)'
p3083
tp3084
sI1028
(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)'
p3085
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)'
p3086
tp3087
sI1029
(S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p3088
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'
p3089
tp3090
sI1030
(S'C(=O)C1(OC=C(COP([O-])(=O)[O-])C=1)'
p3091
S'C([N+])C1(OC=C(COP([O-])(=O)[O-])C=1)'
p3092
tp3093
sI1031
(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)'
p3094
S'C(=O)([O-])C1(C=C(C=C(OC)C(O)=1)C(=O)[O-])'
p3095
tp3096
sI1032
(S'CN1(C=CC(OC)=C(C#N)C(=O)1)'
p3097
S'CN1(C=CC(OC)=C(C(=O)[O-])C(=O)1)'
p3098
tp3099
sI1033
(S'CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p3100
S'CC([CH]=O)=O'
p3101
tp3102
sI1034
(S'C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl'
p3103
S'C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3Cl'
p3104
tp3105
sI1035
(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))'
p3106
S'COC2(C1(=C(NC=C(C[N+])1)C=CC=2))'
p3107
tp3108
sI1036
(S'CSCCCCCCC(S)=NO'
p3109
S'CSCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p3110
tp3111
sI1037
(S'C(SS([O-])=O)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p3112
S'[O-]S([O-])=O'
p3113
tp3114
sI1038
(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)'
p3115
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))))'
p3116
tp3117
sI1039
(S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p3118
S'CC(=CCCC2(CC1(C(C3(=C(C(C1CC=2)=O)C(=C(C(=C3C(C)C)OC)[O-])C=O))=O)(C)))C'
p3119
tp3120
sI1040
(S'C(C1(CC[CH]2(N1C(C2)=O)))([O-])=O'
p3121
S'C(C1(=CC[CH]2(N1C(C2)=O)))([O-])=O'
p3122
tp3123
sI1041
(S'CC(OP(=O)([O-])[O-])(CCO)CC(=O)[O-]'
p3124
S'CC(OP(=O)([O-])[O-])(CC(=O)[O-])CCOP(=O)([O-])[O-]'
p3125
tp3126
sI1042
(S'C(O)C(O)C(O)C(O)C([N+])CO'
p3127
S'C(=O)C(O)C(O)C(O)C([N+])CO'
p3128
tp3129
sI1043
(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))'
p3130
S'C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))'
p3131
tp3132
sI1044
(S'CC(C)(C#N)OC1(OC(CO)C(O)C(O)C(O)1)'
p3133
S'CC(O)(C)C#N'
p3134
tp3135
sI1045
(S'C([N+])CC2(=CNC1(=C(C=CC=C1)2))'
p3136
S'C2(C=C1(C(=CNC1=CC=2)CCNO))'
p3137
tp3138
sI1046
(S'C=CCC(=O)C(=O)[O-]'
p3139
S'C=C=CC(=O)C(=O)[O-]'
p3140
tp3141
sI1047
(S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(O)C(O)C(O)1))2)=O)'
p3142
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(=O)C(O)C(O)1))2)=O)'
p3143
tp3144
sI1048
(S'C2(N=C(NC1(CC1))N=C(N=2)N)(N)'
p3145
S'C2(N=C(O)N=C(NC1(CC1))N=2)(N)'
p3146
tp3147
sI1049
(S'C([O-])(=O)C(O)C(C(=O)[O-])OC(=O)C=CC1(=CC=C(O)C=C1)'
p3148
S'CC(=O)OC(C([O-])=O)C(C(=O)[O-])OC(=O)C=CC1(C=CC(O)=CC=1)'
p3149
tp3150
sI1050
(S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1C([O-])=O)=2))'
p3151
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1[O-])=2))'
p3152
tp3153
sI1051
(S'CCNC1(=NC(Cl)=NC(=N1)NC(C)C)'
p3154
S'CCNC1(N=C(N=C(N=1)N)Cl)'
p3155
tp3156
sI1052
(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'
p3157
S'CC(C=CC=O)=CC=CC=C(C=CC=O)C'
p3158
tp3159
sI1053
(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)'
p3160
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)'
p3161
tp3162
sI1054
(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))'
p3163
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))'
p3164
tp3165
sI1055
(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)))'
p3166
S'COC1(=CC(=CC=C(O)1)C=CC2(=C(O)C(OC)=CC(C=CC([O-])=O)=C2))'
p3167
tp3168
sI1056
(S'COC1(=C(C=CC(=C1)CCCO)O)'
p3169
S'COC1(=C(C=CC(=C1)CCCO)OC2(C(C(C(C(O2)CO)O)O)O))'
p3170
tp3171
sI1057
(S'CC1(CC[CH]2(C(CCC(O)CC(O)CC([O-])=O)C(C)C=C[CH](C1)2))'
p3172
S'CC1(CC[CH]2(C(CCC(O)CC(O)CC([O-])=O)C(C)C(O)C=C(C1)2))'
p3173
tp3174
sI1058
(S'COC1(=CC(C=CC([O-])=O)=CC=C(O)1)'
p3175
S'COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)'
p3176
tp3177
sI1059
(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+])'
p3178
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)'
p3179
tp3180
sI1060
(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'
p3181
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'
p3182
tp3183
sI1061
(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'
p3184
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'
p3185
tp3186
sI1062
(S'CC1(C=C(CO)C=CC=1O)'
p3187
S'CC1(C=C([CH]=O)C=CC=1O)'
p3188
tp3189
sI1063
(S'C#N'
p3190
S'C(CC(N)C(=O)[O-])#N'
p3191
tp3192
sI1064
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p3193
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))'
p3194
tp3195
sI1065
(S'C1(CC3(C=C(OC)C(O)=CC(C([N+](C)1)CC2(C=C(O)C(O)=CC=2))=3))'
p3196
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p3197
tp3198
sI1066
(S'CC(C(CC([O-])=O)C([O-])=O)(C([O-])=O)O'
p3199
S'CC(=C(CC([O-])=O)C([O-])=O)C([O-])=O'
p3200
tp3201
sI1067
(S'CCC=CCC=CCC1(OC1CCCCCCCC(=O)[O-])'
p3202
S'CCC=CCC=CCC(O)C(O)CCCCCCCC(=O)[O-]'
p3203
tp3204
sI1068
(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)'
p3205
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)'
p3206
tp3207
sI1069
(S'C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](C)(C)C'
p3208
S'COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)'
p3209
tp3210
sI1070
(S'CC(C(O)C([O-])=O)C2(=CNC1(=C(C=CC=C1)2))'
p3211
S'CC(C(=O)C(=O)[O-])C2(=CNC1(C=CC=CC=12))'
p3212
tp3213
sI1071
(S'CC1(C23(C(C(O)C1)=C(C)C(C)(C)C(C2)CC3))'
p3214
S'CC1(C23(C(C(=O)C1)=C(C)C(C)(C)C(C2)CC3))'
p3215
tp3216
sI1072
(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)'
p3217
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)'
p3218
tp3219
sI1073
(S'C(O)C2(NC(=O)C(CC1(=CC=CC=C1))NC(=O)2)'
p3220
S'C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)'
p3221
tp3222
sI1074
(S'COC1(=C(O)C=CC(C(O)C[N+])=C1)'
p3223
S'COC1(=C(O)C=CC(C(O)C=O)=C1)'
p3224
tp3225
sI1075
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p3226
S'C1(=C(C=CC(=C1)O)C2(OC3(C(C(C2O)=O)=C(O)C=C(O)C=3)))'
p3227
tp3228
sI1076
(S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C=C2)O)))[N+])([O-])=O'
p3229
S'C(=O)([O-])C([N+])CC1(C=CC(=CC=1)OC2(C=CC(O)=CC=2))'
p3230
tp3231
sI1077
(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))))'
p3232
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))))'
p3233
tp3234
sI1078
(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)'
p3235
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)'
p3236
tp3237
sI1079
(S'C1(C(O)=C(O)C(O)=CC=1C2(C([O-])=CC3(=C([O+]=2)C=C(O)C=C([O-])3)))'
p3238
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)))'
p3239
tp3240
sI1080
(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'
p3241
S'C(OP(=O)([O-])[O-])C1(OC(OP([O-])(=O)OP([O-])(=O)[O-])C(O)C(O)1)'
p3242
tp3243
sI1081
(S'C(CC[N+])[N+]CCC([N+])C([O-])=O'
p3244
S'C(CC[N+]CCC[N+])[N+]'
p3245
tp3246
sI1082
(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))'
p3247
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))'
p3248
tp3249
sI1083
(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))))'
p3250
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))))'
p3251
tp3252
sI1084
(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))'
p3253
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)))'
p3254
tp3255
sI1085
(S'NO'
p3256
S'CC(=NO)C(=O)[O-]'
p3257
tp3258
sI1086
(S'C=C(C)C1(CCC(C)C(=O)C1)'
p3259
S'C=C(C)C1(CCC(C)OC(=O)C1)'
p3260
tp3261
sI1087
(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)'
p3262
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)'
p3263
tp3264
sI1088
(S'C(C([O-])=O)C([O-])=O'
p3265
S'CC([O-])=O'
p3266
tp3267
sI1089
(S'CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))'
p3268
S'CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO'
p3269
tp3270
sI1090
(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'
p3271
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'
p3272
tp3273
sI1091
(S'C1(CC[CH]([N+]1)C2(C=NC=CC=2))'
p3274
S'C1(=O)(CC[CH](N1)C2(C=NC=CC=2))'
p3275
tp3276
sI1092
(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)'
p3277
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))'
p3278
tp3279
sI1093
(S'C(C1(OC2(C(C1O)OP(O2)([O-])=O)))OP([O-])([O-])=O'
p3280
S'C(C1(OC(C(C1O)OP([O-])(=O)[O-])O))OP([O-])([O-])=O'
p3281
tp3282
sI1094
(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'
p3283
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'
p3284
tp3285
sI1095
(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'
p3286
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'
p3287
tp3288
sI1096
(S'CC(C)C1(=CC[CH]2(C3(CCCC(C)(C)[CH](CCC(=C1)2)3)C))'
p3289
S'CC(C3(=CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p3290
tp3291
sI1097
(S'CC(C=CC=C(C=CC=O)C)=CC=CC=C(C=CC=C(C=CC=O)C)C'
p3292
S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC([O-])=O)C)C'
p3293
tp3294
sI1098
(S'C=CC(CCC=C(C)C)(O)C'
p3295
S'C=CC(CCC=C(C)C)=C'
p3296
tp3297
sI1099
(S'C(=CC(=O)[O-])C(O)=C[CH]=O'
p3298
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p3299
tp3300
sI1100
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p3301
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p3302
tp3303
sI1101
(S'C1(O)(C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p3304
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)'
p3305
tp3306
sI1102
(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)'
p3307
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)'
p3308
tp3309
sI1103
(S'CSCCCCC([N+])C(=O)[O-]'
p3310
S'CSCCCCC=NO'
p3311
tp3312
sI1104
(S'CC[N+](CC)CC'
p3313
S'CC[N+](O)(CC)CC'
p3314
tp3315
sI1105
(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)))))'
p3316
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)))))'
p3317
tp3318
sI1106
(S'CC1(C)([CH]2(C(O)CC1(C(=O)C2)C))'
p3319
S'CC1(C)([CH]2(C(=O)CC(C)1C(=O)C2))'
p3320
tp3321
sI1107
(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)'
p3322
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)'
p3323
tp3324
sI1108
(S'CC2(CCC1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p3325
S'CC2(CCC1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p3326
tp3327
sI1109
(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'
p3328
S'CC(C=CC=C([CH]=O)C)=CC=CC=C(C=CC=C([CH]=O)C)C'
p3329
tp3330
sI1110
(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))'
p3331
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))))'
p3332
tp3333
sI1111
(S'CCCCCC(O)CC(=O)CCC1(C=C(O)C(O)=CC=1)'
p3334
S'CCCCCC(O)CC(=O)CCC1(C=C(OC)C(O)=CC=1)'
p3335
tp3336
sI1112
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p3337
S'C1(C(CC(C([O-])=O)O)=CC=C(C=1)O)'
p3338
tp3339
sI1113
(S'CCC(C)C=CC=CC=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2)'
p3340
S'CCC(C)C=CC=CC=CC(=O)C1(C(=O)N([O-])C=C(C([O-])=1)C2(C=CC(O)=CC=2))'
p3341
tp3342
sI1114
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=CC(OC)=C(N)1)O)'
p3343
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C'
p3344
tp3345
sI1115
(S'C1(C=C([O-])C=CC=1[N+](=O)[O-])'
p3346
S'C1(=CC(=O)C=CC(=O)1)'
p3347
tp3348
sI1116
(S'C1(C(S(=O)(=O)[O-])=CC(=C(O)C=1)O)'
p3349
S'C(C=CC(S(=O)(=O)[O-])=CC(=O)[O-])([O-])=O'
p3350
tp3351
sI1117
(S'CCC25(C=CC[N+]4(CCC1(C3(C=CC=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p3352
S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(O)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p3353
tp3354
sI1118
(S'C(NC1(=CC=C(C(=O)[O-])C=C1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3))'
p3355
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))'
p3356
tp3357
sI1119
(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))'
p3358
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))'
p3359
tp3360
sI1120
(S'C(O)[CH]=O'
p3361
S'C(CO)O'
p3362
tp3363
sI1121
(S'C1(C=C(C=C2(OCC(CC=12)C4(C=C3(C(OCO3)=CC=4O))))O)'
p3364
S'C1(C(C=C2(OCC(CC(O)(C1)2)C4(C=C3(C(OCO3)=CC=4O))))=O)'
p3365
tp3366
sI1122
(S'C1(NC2(C(C(CC=O)=1)=CC(=CC=2)O))'
p3367
S'C1(C(O)=CC2(=C(C=1)NC=C2CC(=O)[O-]))'
p3368
tp3369
sI1123
(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))'
p3370
S'C([O-])(=O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p3371
tp3372
sI1124
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC=C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p3373
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)))'
p3374
tp3375
sI1125
(S'CC(CO)=C[CH]1(C(CC3(C2(C1=CC=CC=2NC=3)))[N+]C)'
p3376
S'CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p3377
tp3378
sI1126
(S'C([O-])(=O)C(Cl)C1(OC(=O)C=C1)'
p3379
S'C1(=CC(=O)OC(=CC(=O)[O-])1)'
p3380
tp3381
sI1127
(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))))'
p3382
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)'
p3383
tp3384
sI1128
(S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p3385
S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p3386
tp3387
sI1129
(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)'
p3388
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)'
p3389
tp3390
sI1130
(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))'
p3391
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))'
p3392
tp3393
sI1131
(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)))'
p3394
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)))'
p3395
tp3396
sI1132
(S'C(OP([O-])([O-])=O)C(O)C(C(C(C([O-])=O)O)=O)O'
p3397
S'C(O)C(=O)C(O)C(O)COP(=O)([O-])[O-]'
p3398
tp3399
sI1133
(S'CS(=O)(=O)[O-]'
p3400
S'[O-]S([O-])=O'
p3401
tp3402
sI1134
(S'C1(=CC(=C(C=C1[N+]([O-])=O)O)O)'
p3403
S'C1(=CC(=O)C([O-])=CC(=O)1)'
p3404
tp3405
sI1135
(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))'
p3406
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)))'
p3407
tp3408
sI1136
(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))))'
p3409
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))))'
p3410
tp3411
sI1137
(S'CC(C)C1(=CC=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))'
p3412
S'CC(C3(=CC=C2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p3413
tp3414
sI1138
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p3415
S'C(C=CC1(=CC=C(C=C1)O))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p3416
tp3417
sI1139
(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)))'
p3418
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)'
p3419
tp3420
sI1140
(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))'
p3421
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'
p3422
tp3423
sI1141
(S'C1(=CC3(=C(C=C1)OC2(C(=CC=CC=2)3)))'
p3424
S'C1(C=CC(=C(C=1)C2(=CC=CC(=C(O)2)O))O)'
p3425
tp3426
sI1142
(S'C(F)C([O-])=O'
p3427
S'C(C(=O)[O-])O'
p3428
tp3429
sI1143
(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)))))'
p3430
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)'
p3431
tp3432
sI1144
(S'CC(C(=O)[O-])C(=O)C(=O)[O-]'
p3433
S'CCC(=O)C(=O)[O-]'
p3434
tp3435
sI1145
(S'C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]'
p3436
S'C([N+])COC(CC(C(=O)[O-])(O)CC(=O)[O-])=O'
p3437
tp3438
sI1146
(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))))'
p3439
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))))'
p3440
tp3441
sI1147
(S'CC(C(=O)[O-])=C(C(=O)[O-])CC(=O)[O-]'
p3442
S'CC(=C(CC([O-])=O)C([O-])=O)C([O-])=O'
p3443
tp3444
sI1148
(S'C([O-])(=O)C1(O)(C=CC=CC(O)1)'
p3445
S'C1(C=CC(=C(C=1)O)O)'
p3446
tp3447
sI1149
(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'
p3448
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'
p3449
tp3450
sI1150
(S'CC(C)=CCCC(=CCO)C'
p3451
S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)CO)O)O))C)C'
p3452
tp3453
sI1151
(S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)O)[O-]))C'
p3454
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)OC)[O-]))C'
p3455
tp3456
sI1152
(S'C1(NC2(=C(C(CC(=O)NC(CCC([O-])=O)C([O-])=O)=1)C=CC=C2))'
p3457
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))'
p3458
tp3459
sI1153
(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'
p3460
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(=CC(C(C=C2)=O)=O))C([O-])=O'
p3461
tp3462
sI1154
(S'C(C1(=CC=CC=C1O))([O-])=O'
p3463
S'C(O)C2(OC(OC(C1(C=CC=CC=1O))=O)C(O)C(O)C(O)2)'
p3464
tp3465
sI1155
(S'C([O-])(=O)C(=CC=CC(C1(C=CC=CC=1))=O)O'
p3466
S'C([O-])(=O)C(C=CCC(C1(C=CC=CC=1))=O)=O'
p3467
tp3468
sI1156
(S'C=CC(O)CC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p3469
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)'
p3470
tp3471
sI1157
(S'C(CC1(=CC=C(C=C1)O))#N'
p3472
S'C1(C=C(O)C=CC=1C(O)C#N)'
p3473
tp3474
sI1158
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(O)2)[O-]))'
p3475
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C1(C=CC=CC=1[N+](=C(C)C(=O)2)[O-]))'
p3476
tp3477
sI1159
(S'CC(C)=CCCC(=CCCC(C)=CC(=O)[O-])C'
p3478
S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)[O-])C'
p3479
tp3480
sI1160
(S'C3(=CC(C2(COC1(=CC(=CC(=C1C2=O)O)[O-])))=C(C=C3O)O)'
p3481
S'CC(=CCC1(=C(C=C(C2(=C1OCC(C2=O)C3(C=CC(=CC=3O)O)))O)[O-]))C'
p3482
tp3483
sI1161
(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)'
p3484
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)'
p3485
tp3486
sI1162
(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))'
p3487
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))'
p3488
tp3489
sI1163
(S'C(=O)C1(=CC=CC=C1)'
p3490
S'C(C1(C=CC=CC=1))([O-])=O'
p3491
tp3492
sI1164
(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))))'
p3493
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))))'
p3494
tp3495
sI1165
(S'C([N+])C2(C1(C(=O)NC(N)=NC=1NC=2))'
p3496
S'C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)'
p3497
tp3498
sI1166
(S'C1(=C(Cl)C=CC(=C1)O)'
p3499
S'C1(C=C(C(=CC=1Cl)O)O)'
p3500
tp3501
sI1167
(S'CSC'
p3502
S'CS(=O)C'
p3503
tp3504
sI1168
(S'CSCC1(OC(OP([O-])(=O)[O-])C(C1O)O)'
p3505
S'CSCC(O)C(O)C(=O)COP([O-])(=O)[O-]'
p3506
tp3507
sI1169
(S'CC1(=NC=C(COP([O-])(=O)[O-])C(=C(O)1)CO)'
p3508
S'CC1(=NC=C(C(=C1O)CO)CO)'
p3509
tp3510
sI1170
(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)))'
p3511
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)'
p3512
tp3513
sI1171
(S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p3514
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p3515
tp3516
sI1172
(S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p3517
S'C([O-])(=O)C=CC(CC(=O)C([O-])=O)=O'
p3518
tp3519
sI1173
(S'C1(C=CC(CC=NO)=CC=1)'
p3520
S'C1(C=CC(CC#N=O)=CC=1)'
p3521
tp3522
sI1174
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p3523
S'CC(C)=CCC3(=C(C=C(C1(=C(OC=C(C1=O)C2(=CC=C(O)C=C2))3))O)[O-])'
p3524
tp3525
sI1175
(S'C1(=CC=C(C=C1)[N+]([O-])=O)'
p3526
S'C1(C=CC(=C(C=1)O)O)'
p3527
tp3528
sI1176
(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)))'
p3529
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)))'
p3530
tp3531
sI1177
(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-])))'
p3532
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-])))'
p3533
tp3534
sI1178
(S'CN1(C(=O)C2(SC)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p3535
S'CN1(C(=O)C2(SC)(CC3([CH](N(C(=O)C(SC)(CO)1)2)C(O)C=CC=3)))'
p3536
tp3537
sI1179
(S'C(O)CCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p3538
S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)COP([O-])(=O)[O-])=O'
p3539
tp3540
sI1180
(S'[CH](C(C(COP([O-])([O-])=O)O)O)=O'
p3541
S'C(OP(=O)([O-])[O-])C(C(C([O-])=O)O)O'
p3542
tp3543
sI1181
(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'
p3544
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'
p3545
tp3546
sI1182
(S'C(CC2(C(=O)NC1(=C(O)C=CC=C12)))([O-])=O'
p3547
S'C(O)C1(C(O)C(O)C(C(O1)OC3(=CC=CC2(=C(NC(C(CC(=O)[O-])2)=O)3)))O)'
p3548
tp3549
sI1183
(S'CC([N+])C(=O)NC(CCC(=O)NC(C(NC(C)C([O-])=O)=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p3550
S'CC([N+])C(=O)NC(CCC(=O)NC(C([O-])=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p3551
tp3552
sI1184
(S'C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))'
p3553
S'C12(=C(C(C([O-])=O)=CN1)C(=O)NC(N)=N2)'
p3554
tp3555
sI1185
(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)'
p3556
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'
p3557
tp3558
sI1186
(S'[CH](C(C(COP([O-])([O-])=O)O)O)=O'
p3559
S'C(=O)([O-])C(=O)CC(O)C(O)C(O)COP([O-])(=O)[O-]'
p3560
tp3561
sI1187
(S'C[N+]CCOP([O-])([O-])=O'
p3562
S'C[N+](CCOP([O-])([O-])=O)C'
p3563
tp3564
sI1188
(S'C=C(C)C1(CCC2(C1)(C(C)CC(O)CC(C=O)2))'
p3565
S'C=C(C2(CC1(C(CC(CC(C=O)1)=O)C)CC2))C'
p3566
tp3567
sI1189
(S'C(=O)([O-])C=CC1(=CC=C(O)C=C1)'
p3568
S'[CH](C1(C=CC(O)=CC=1))=O'
p3569
tp3570
sI1190
(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'
p3571
S'CC(C)=CCCC(C)=CC=CC(C)=O'
p3572
tp3573
sI1191
(S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p3574
S'C(O)C(O)[CH]1(C(O)=C(O)C(=O)O1)'
p3575
tp3576
sI1192
(S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CCC3=CC(=O)CC4))'
p3577
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p3578
tp3579
sI1193
(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))))'
p3580
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))))'
p3581
tp3582
sI1194
(S'C2(NC1(C=CC=CC=1C=2C(O)C(C(=O)[O-])[N+]))'
p3583
S'[CH](=O)NC1(C=CC=CC=1C(=O)C(O)C([N+])C(=O)[O-])'
p3584
tp3585
sI1195
(S'C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]'
p3586
S'C(C(NC(CCC([N+])C([O-])=O)=O)C(=O)NCC([O-])=O)SC=O'
p3587
tp3588
sI1196
(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)))'
p3589
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)))'
p3590
tp3591
sI1197
(S'COC1(=C(O)CC(CO)(O)CC(=O)1)'
p3592
S'COC1(=C(NCC([O-])=O)CC(CO)(O)CC(=O)1)'
p3593
tp3594
sI1198
(S'CC1(N=CC(=C(C=1O)C=O)CO)'
p3595
S'CC1(=C(C2(=C(C=N1)COC2=O))O)'
p3596
tp3597
sI1199
(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'
p3598
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'
p3599
tp3600
sI1200
(S'CC(CC(=O)[O-])=CC(=O)N(O)CCCC([N+])C([O-])=O'
p3601
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'
p3602
tp3603
sI1201
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)NC2(C=CC=CC(C(=O)[O-])=2))'
p3604
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p3605
tp3606
sI1202
(S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p3607
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)))'
p3608
tp3609
sI1203
(S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))O))=CC=C(C=3)O)'
p3610
S'C3(C(C1(CC2(=CC=C(C=C(OC1)2)O)))=CC=C(C=3)O)'
p3611
tp3612
sI1204
(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))'
p3613
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))'
p3614
tp3615
sI1205
(S'[CH](=O)C(C(C(COP([O-])([O-])=O)O)O)O'
p3616
S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p3617
tp3618
sI1206
(S'CSCC1(OC(C(C1O)O)O)'
p3619
S'CSCC1(OC(OP([O-])(=O)[O-])C(C1O)O)'
p3620
tp3621
sI1207
(S'C(=O)([O-])C(OP(=O)([O-])[O-])CO'
p3622
S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p3623
tp3624
sI1208
(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'
p3625
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'
p3626
tp3627
sI1209
(S'C1(NC(=[N+])N)(C(O)C(O)C(O)C(O)C(O)1)'
p3628
S'C1(NC(=[N+])N)(C(O)C(=O)C(O)C(O)C(O)1)'
p3629
tp3630
sI1210
(S'[CH](=O)P([O-])(=O)[O-]'
p3631
S'C(=O)([O-])P([O-])(O)=O'
p3632
tp3633
sI1211
(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))'
p3634
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)'
p3635
tp3636
sI1212
(S'COC1(=C(O)C(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C=C(OC)C=3)))'
p3637
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)))'
p3638
tp3639
sI1213
(S'C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O'
p3640
S'C(C=CC1(=C(C=CC=C1)O))(=O)[O-]'
p3641
tp3642
sI1214
(S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=CC=C2))3))'
p3643
S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=CC=C2))3)4))'
p3644
tp3645
sI1215
(S'CC(C(C(=O)[O-])C(=O)C(=O)[O-])C'
p3646
S'CC(C)CC(C([O-])=O)=O'
p3647
tp3648
sI1216
(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'
p3649
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'
p3650
tp3651
sI1217
(S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p3652
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(OC)C(O)=C3)))'
p3653
tp3654
sI1218
(S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO'
p3655
S'CC(C)CCCC(C)CCCC(C)CCCC(C)=C[CH]=O'
p3656
tp3657
sI1219
(S'C[N+]1(=C3(C=CC=C(C(=NC2(C=CC=CC1=2))3)C(=O)[O-]))'
p3658
S'C[N+]2(C1(=C(C(O)=CC=C1)N=C3(C=2C=CC=C3)))'
p3659
tp3660
sI1220
(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))))))'
p3661
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))'
p3662
tp3663
sI1221
(S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)OC))C'
p3664
S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)OC))C'
p3665
tp3666
sI1222
(S'C(CC([O-])=O)S'
p3667
S'C(CC([O-])=O)SSCCC([O-])=O'
p3668
tp3669
sI1223
(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)))'
p3670
S'C([O-])(=O)C1(C=CC=C(C=1)C(=O)CCC2(C(O)C(O)C(O)O2))'
p3671
tp3672
sI1224
(S'CC(=O)NC(CCCC(=O)C(=O)[O-])C(=O)[O-]'
p3673
S'CC(=O)NC(CCCC([N+])C(=O)[O-])C(=O)[O-]'
p3674
tp3675
sI1225
(S'CC([C-]1(OC(N)=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p3676
S'CC([C-]1(OC(NC)=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p3677
tp3678
sI1226
(S'C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)'
p3679
S'C3(C(C2(C(=O)C1(=CC=C(C=C1OC(O)2)O)))=CC=C(C=3)O)'
p3680
tp3681
sI1227
(S'CC1(=CC(=O)OC(CC(=O)[O-])1)'
p3682
S'CC1(=C(OC(C1)=O)CC(=O)[O-])'
p3683
tp3684
sI1228
(S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC=C(C=C3)O))C)'
p3685
S'C1(CC3(C=C(OC)C(O)=CC(C([N+](C)1)CC2(C=C(O)C(O)=CC=2))=3))'
p3686
tp3687
sI1229
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p3688
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)))'
p3689
tp3690
sI1230
(S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C([O-])=2)=C(O)C=C(O)C=3)))'
p3691
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C(OC)=2)=C(O)C=C(O)C=3)))'
p3692
tp3693
sI1231
(S'C(=O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p3694
S'C([N+])C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p3695
tp3696
sI1232
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p3697
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p3698
tp3699
sI1233
(S'CCCCCC1(CC[N+]=C(C)1)'
p3700
S'CCCCCC1(C=CNC(C)=1)'
p3701
tp3702
sI1234
(S'C(O)C(CCC([O-])=O)C([O-])=O'
p3703
S'C(=O)C(C([O-])=O)CCC([O-])=O'
p3704
tp3705
sI1235
(S'C(O)CCCCCCCC=CCCCCCCCC(OCCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O)=O'
p3706
S'C(O)CCCCCCCC=CCCCCCCCC(OCCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCOC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O)=O'
p3707
tp3708
sI1236
(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)))))))'
p3709
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)))))))'
p3710
tp3711
sI1237
(S'CC(C)CC(C(=O)[O-])NC(=O)CC2(C1(=CC=CC=C1NC=2))'
p3712
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p3713
tp3714
sI1238
(S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(C(C)C)=O)O))C'
p3715
S'CC(=CCC1(C(=C(C(C(C=1[O-])(O)CC=C(C)C)=O)C(C(C)C)=O)O))C'
p3716
tp3717
sI1239
(S'COC2(C=C(C=CC(=CC(C=CC1(C=C(C(=CC=1)O)OC))=O)O)C=CC(O)=2)'
p3718
S'COC2(=CC(C=CC(=CC(CCC1(=CC(=C(C=C1)O)OC))=O)O)=CC=C(O)2)'
p3719
tp3720
sI1240
(S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C2(CCCC(C)(C)[CH](CCC(O)(C)1)2)C)'
p3721
S'CC(CCO)CCC1(C(C)(O)CCC2(C(C)1CCCC(C)(C)2))'
p3722
tp3723
sI1241
(S'CC(O)C(NC(=O)C)[CH]1(OC(C(=O)[O-])(O)CC(O)C(NC(C)=O)1)'
p3724
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)'
p3725
tp3726
sI1242
(S'C(=O)([O-])CC(=N)C(=O)[O-]'
p3727
S'C1(=CC=C(C(C([O-])=O)=N1)C([O-])=O)'
p3728
tp3729
sI1243
(S'C3(=O)(NC(CC1(C=CC(O)=CC=1))C(=O)NC(CC2(C=CC(O)=CC=2))3)'
p3730
S'C1(=O)(NC3(C(=O)NC1CC2(C=CC(O)=C(C=2)C4(C=C(C3)C=CC(O)=4))))'
p3731
tp3732
sI1244
(S'C(C([N+])P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p3733
S'C(C(=O)P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p3734
tp3735
sI1245
(S'C1(C(C(C(C(C1O)O)O)O)O)O'
p3736
S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p3737
tp3738
sI1246
(S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p3739
S'CCC(OC)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p3740
tp3741
sI1247
(S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))'
p3742
S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C(OC)=O)3))'
p3743
tp3744
sI1248
(S'CC3(C)(OC4(C=CC5(C1(C(C2(=C(OC1)C=C(C=C2)O))OC(C(C=C3)=4)=5))))'
p3745
S'CC3(C)(OC4(C=CC5(C1(C(C2(O)(C(OC1)=CC(C=C2)=O))OC(C(C=C3)=4)=5))))'
p3746
tp3747
sI1249
(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'
p3748
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)'
p3749
tp3750
sI1250
(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))))'
p3751
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))'
p3752
tp3753
sI1251
(S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=C(I)C=2))'
p3754
S'C([N+])CC1(C=CC(=CC=1)OC2(C=C(I)C(O)=C(I)C=2))'
p3755
tp3756
sI1252
(S'CC1(C)([CH]2(CC(=O)C1(C)CC2))'
p3757
S'CC1(C)([CH]2(CC(=O)C1(CC(O)2)C))'
p3758
tp3759
sI1253
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C=1)'
p3760
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)C(O)C=1)'
p3761
tp3762
sI1254
(S'CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))'
p3763
S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))COC3(C(C(C(C(O3)CO)O)O)O)'
p3764
tp3765
sI1255
(S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p3766
S'COC2(C1(OC(C=CC=1C=CC(O)=2)=O))'
p3767
tp3768
sI1256
(S'C1(OC(C(C(O)C1O)O)OCC3(C(O)C(O)C(O)C(OCCC2(C=CC=CC=2))O3))'
p3769
S'C1(C=CC(CCO)=CC=1)'
p3770
tp3771
sI1257
(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)'
p3772
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)'
p3773
tp3774
sI1258
(S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p3775
S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p3776
tp3777
sI1259
(S'CCCCC=CCCCCCCCCO'
p3778
S'CCCCC=CCCCCCCCCOC(=O)C'
p3779
tp3780
sI1260
(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)'
p3781
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)'
p3782
tp3783
sI1261
(S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)OC))C(OC3)=O))'
p3784
S'COC4(C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C(C=4OC)OC)'
p3785
tp3786
sI1262
(S'C[N+]1(C2(CC(O)CC1CC2))'
p3787
S'C[N+]1(C2(CCC1CC(=O)C2))'
p3788
tp3789
sI1263
(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))))'
p3790
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))))'
p3791
tp3792
sI1264
(S'C1(=O)(C(=N)C(S)C(=CS)N1)'
p3793
S'C1(=O)(C(N)=C(S)C(=CS)N1)'
p3794
tp3795
sI1265
(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'
p3796
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'
p3797
tp3798
sI1266
(S'CC1(C(=O)NC(C=CC(C(=O)[O-])=O)=C(C=1)O)'
p3799
S'CC1(C(O)=NC(=C(C=1)O)O)'
p3800
tp3801
sI1267
(S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p3802
S'COC1(C=CC(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p3803
tp3804
sI1268
(S'C1(=CC(O)=C(O)C=N1)'
p3805
S'C1(N(C=C(C(C=1)=O)[O-])CC([N+])C(=O)[O-])'
p3806
tp3807
sI1269
(S'CC2(=CC1(C(=CC=C(C=1O)O)NC2=O))'
p3808
S'CC1(C(=O)NC(C=CC(C(=O)[O-])=O)=C(C=1)O)'
p3809
tp3810
sI1270
(S'CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1CC2))'
p3811
S'CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1C(O)C2))'
p3812
tp3813
sI1271
(S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O)O))C=NC=23)))C'
p3814
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O)O))C=NC=23)))CO'
p3815
tp3816
sI1272
(S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p3817
S'[CH](=[N+])NC(C([O-])=O)CCC([O-])=O'
p3818
tp3819
sI1273
(S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p3820
S'CC(=O)NCCC(=O)C1(C=C(OC)C=CC(NC=O)=1)'
p3821
tp3822
sI1274
(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)'
p3823
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)'
p3824
tp3825
sI1275
(S'CSCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p3826
S'CSCCCCCCC(S)=NO'
p3827
tp3828
sI1276
(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)'
p3829
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)'
p3830
tp3831
sI1277
(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)))'
p3832
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)))'
p3833
tp3834
sI1278
(S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP([O-])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p3835
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'
p3836
tp3837
sI1279
(S'C(O)C1(=CC(O)C2(OC(C(=O)1)2))'
p3838
S'C(O)C1(=CC(=O)C2(OC(C(=O)1)2))'
p3839
tp3840
sI1280
(S'C1(C(=CC=C(C=1)O)CCO)'
p3841
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p3842
tp3843
sI1281
(S'C2(NC3(=C(C(CC(OC1(C(O)C(O)C(O)OC(CO)1))=O)=2)C=CC=C3))'
p3844
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p3845
tp3846
sI1282
(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))))'
p3847
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))))'
p3848
tp3849
sI1283
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p3850
S'COC1(=CC=C(C=C1)C3(=C([O-])C(=O)C2(=C(O)C=C(O)C=C2O3)))'
p3851
tp3852
sI1284
(S'[Fe++]'
p3853
S'[O-]O'
p3854
tp3855
sI1285
(S'C(=O)([O-])CC(O)C([O-])=O'
p3856
S'C(=O)=O'
p3857
tp3858
sI1286
(S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p3859
S'CC1(CC(O)C2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p3860
tp3861
sI1287
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p3862
S'C=C(OC1(C=CC=C(C1[N+])C(=O)[O-]))C(=O)[O-]'
p3863
tp3864
sI1288
(S'C(O)C14(SSC2(CC3([CH](N(C(=O)1)2)C(O)C=CC=3))C(=O)N4)'
p3865
S'CN1(C(=O)C34(SSC(CO)1C(=O)N([CH]2(C(=CC=CC(O)2)C3))4))'
p3866
tp3867
sI1289
(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))))'
p3868
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))))'
p3869
tp3870
sI1290
(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'
p3871
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'
p3872
tp3873
sI1291
(S'C(CC(C(=O)[O-])[N+])ONC(N)=O'
p3874
S'C(ONC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CC([N+])C([O-])=O'
p3875
tp3876
sI1292
(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'
p3877
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))'
p3878
tp3879
sI1293
(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)))'
p3880
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)))'
p3881
tp3882
sI1294
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p3883
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p3884
tp3885
sI1295
(S'C(NC(N)=[N+])CCC([N+])C([O-])=O'
p3886
S'C(NC(N)=[N+])CCC(=[N+])C([O-])=O'
p3887
tp3888
sI1296
(S'CCCCCCCCC=CCCCCCCCC([O-])=O'
p3889
S'C(O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p3890
tp3891
sI1297
(S'COC2(=CC(C=CCO)=CC=C(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p3892
S'COC1(=CC(C=CCO)=CC=C(O)1)'
p3893
tp3894
sI1298
(S'CC3(CC4(C2(=CC(O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p3895
S'CC3(CC4(C2(=CC(=O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p3896
tp3897
sI1299
(S'C1(=C(C(O)=CC(=C1Cl)O)O)'
p3898
S'C1(C(C([O-])=CC(C=1Cl)=O)=O)'
p3899
tp3900
sI1300
(S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p3901
S'C1(OC2(C(O1)=CC(=CC=2)C3(C(=O)C4(=C(OC=3)C=C(C=C4)O))))'
p3902
tp3903
sI1301
(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'
p3904
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'
p3905
tp3906
sI1302
(S'CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(CC([O-])=O)=O'
p3907
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))))'
p3908
tp3909
sI1303
(S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p3910
S'C(O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p3911
tp3912
sI1304
(S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p3913
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p3914
tp3915
sI1305
(S'C2(CC1(=CC5(OCOC(C=C1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4)))=5)))'
p3916
S'COC5(=C(OC)C4(=C[N+]3(CCC2(=CC1(=C(OCO1)C=C2C=3C=C4C=C5)))))'
p3917
tp3918
sI1306
(S'C2(=C(CC(NC(CC1(C=CC=CC=1))C(=O)[O-])=O)C3(C=CC=CC(N2)=3))'
p3919
S'C2(=C(CC(NC(CC1(C=CC=CC=1))C(=O)[O-])=O)C3(C=CC(=CC(N2)=3)O))'
p3920
tp3921
sI1307
(S'CC1(=C(Cl)C(=CC([O-])=O)OC(=O)1)'
p3922
S'CC(=C(Cl)C(=O)CC([O-])=O)C(=O)[O-]'
p3923
tp3924
sI1308
(S'C(CC(C=CC(C([O-])=O)=O)C([O-])=O)([O-])=O'
p3925
S'C(CCC=CC(C([O-])=O)=O)([O-])=O'
p3926
tp3927
sI1309
(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))))'
p3928
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))))'
p3929
tp3930
sI1310
(S'C1(C(=CC(Cl)=C(C=1Cl)[O-])O)'
p3931
S'C([O-])(=O)C(Cl)=CC(=O)CC(=O)[O-]'
p3932
tp3933
sI1311
(S'CC1(=C([O-])C(=O)CO1)'
p3934
S'C=C1(C(=O)C([O-])=C(C)O1)'
p3935
tp3936
sI1312
(S'COC5(=C1(C(OC4(C(C1=O)=C(C=C2(C([CH]3([CH](O2)OC=C3))=4))OC))=CC=C5))'
p3937
S'COC1(C4(=C(C2([CH]3(C=CO[CH](OC(C=1)=2)3)))OC(=O)C5(C(CCC4=5)=O)))'
p3938
tp3939
sI1313
(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)'
p3940
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)'
p3941
tp3942
sI1314
(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)'
p3943
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))'
p3944
tp3945
sI1315
(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-])))'
p3946
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'
p3947
tp3948
sI1316
(S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC=C(C(I)=C2)O)))[N+])([O-])=O'
p3949
S'C(C(CC1(=CC(I)=C(C=C1)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p3950
tp3951
sI1317
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(O)1)2)C=CC=C3NC=4))))'
p3952
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(OC(C)=O)1)2)C=CC=C3NC=4))))'
p3953
tp3954
sI1318
(S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p3955
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'
p3956
tp3957
sI1319
(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)'
p3958
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)'
p3959
tp3960
sI1320
(S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)O))C'
p3961
S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p3962
tp3963
sI1321
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p3964
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p3965
tp3966
sI1322
(S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p3967
S'C(CC2(C(=O)NC1(=C(O)C=CC=C12)))([O-])=O'
p3968
tp3969
sI1323
(S'CC1(=C(C=CC=C1)[N+](=O)[O-])'
p3970
S'CC1(=CC=CC(=C1O)O)'
p3971
tp3972
sI1324
(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))))'
p3973
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)'
p3974
tp3975
sI1325
(S'COC3(=C(OC)C=C1(C(C([N+](CC1)C)CC2(=CC(=C(OC)C=C2)O))=C3))'
p3976
S'COC3(=C(OC)C=CC(CC1([N+](CCC2(C1=CC(=C(OC)C=2)OC))C))=C3)'
p3977
tp3978
sI1326
(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))'
p3979
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))'
p3980
tp3981
sI1327
(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'
p3982
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'
p3983
tp3984
sI1328
(S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C(=O)C(O)C(O)1))2)=O)'
p3985
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C([N+])C(O)C(O)1))2)=O)'
p3986
tp3987
sI1329
(S'C(C(CCCNC(N)=[N+])=O)(=O)[O-]'
p3988
S'C(C[N+])CC(=O)C([O-])=O'
p3989
tp3990
sI1330
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p3991
S'CC(=O)C3(O)(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p3992
tp3993
sI1331
(S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p3994
S'C(=O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p3995
tp3996
sI1332
(S'CCC=CCC(O)C=CC=CCC=CC=CC=CC1(OC1CCC(=O)[O-])'
p3997
S'CCC=CCC(O)C=CC=CCC=CC=CC=CC(O)C(O)CCC(=O)[O-]'
p3998
tp3999
sI1333
(S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p4000
S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p4001
tp4002
sI1334
(S'CC(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)'
p4003
S'C(O)C2(C(C(C([N+])C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)O)O)'
p4004
tp4005
sI1335
(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'
p4006
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'
p4007
tp4008
sI1336
(S'C1(N=CC=CC=1C(=O)CCC(=O)NC)'
p4009
S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p4010
tp4011
sI1337
(S'CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))'
p4012
S'CC1([N+](=CSC(CCOP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p4013
tp4014
sI1338
(S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p4015
S'CSCC1(OC(OP([O-])(=O)[O-])C(C1O)O)'
p4016
tp4017
sI1339
(S'CC1(=C([CH]=O)C(O)=CC(=O)C(O)=C1)'
p4018
S'C1(OC(O)C2(=C(O)C=C(O)C(=O)C=C12))'
p4019
tp4020
sI1340
(S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p4021
S'CC(=O)NC(CCCC(=O)C(=O)[O-])C(=O)[O-]'
p4022
tp4023
sI1341
(S'CSCCC(C([O-])=CO)=O'
p4024
S'CSCCC(C([O-])=O)=O'
p4025
tp4026
sI1342
(S'CC2(C=C(O)C=C1(OC(CC(=O)CC(=O)[O-])=CC(=O)C1=2))'
p4027
S'CC1(C2(C(=O)C=C(OC(C=C(O)C=1)=2)CC(=O)C))'
p4028
tp4029
sI1343
(S'C1(=CC=C(O)C=C1)'
p4030
S'C1(C=CC(=C(C=1)O)O)'
p4031
tp4032
sI1344
(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)'
p4033
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)'
p4034
tp4035
sI1345
(S'C(CCC1(C=C(O)C=CC=1))(=O)[O-]'
p4036
S'C(CCC1(C(=C(C=CC=1)O)O))([O-])=O'
p4037
tp4038
sI1346
(S'CC1(C(=C(C(=CN=1)C=O)C(=O)[O-])O)'
p4039
S'CC1(=C(C(=C(C=N1)C([O-])=O)C([O-])=O)O)'
p4040
tp4041
sI1347
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])[S-])'
p4042
S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p4043
tp4044
sI1348
(S'C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)'
p4045
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p4046
tp4047
sI1349
(S'CC1(CCC(C)(CC=1)C2(C)(CCCC(=C)2))'
p4048
S'CC1(CCC(C)(CC=1)C2(C)(CCC(O)C(=C)2))'
p4049
tp4050
sI1350
(S'C1(C([N+])C(O)C(O)C(O)C([N+])1)'
p4051
S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p4052
tp4053
sI1351
(S'C2(C=CC(C1(C=C(O)C=C(O)C=1))=CC=2)'
p4054
S'COC2(=CC(O)=CC(C1(C=CC=CC=1))=C2)'
p4055
tp4056
sI1352
(S'C(=O)([O-])P([O-])(O)=O'
p4057
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-]))'
p4058
tp4059
sI1353
(S'CC1(CCC(C)(C(O)C=1)C3(C)(CCC(O)C2(OC2)3))'
p4060
S'CC1(CCC(C)(C(O)C=1)C3(C)(CC(O)C(O)C2(OC2)3))'
p4061
tp4062
sI1354
(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))))'
p4063
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))))'
p4064
tp4065
sI1355
(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)'
p4066
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)'
p4067
tp4068
sI1356
(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))))'
p4069
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))))'
p4070
tp4071
sI1357
(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))))))'
p4072
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))))))'
p4073
tp4074
sI1358
(S'C1(C(=O)NC(=O)NC(C(=O)[O-])1)'
p4075
S'C1(=C(C([O-])=O)NC(NC(=O)1)=O)'
p4076
tp4077
sI1359
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p4078
S'COC1(=C(O)C=CC(CC([N+])C(=O)[O-])=C1)'
p4079
tp4080
sI1360
(S'CC(C(=O)[O-])[N+]CCS(=O)([O-])=O'
p4081
S'C(S(=O)(=O)[O-])C[N+]'
p4082
tp4083
sI1361
(S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p4084
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p4085
tp4086
sI1362
(S'C([N+])CC[N+]CCCCNC(=[N+])N'
p4087
S'C([N+])CC[N+]CCCC[N+]'
p4088
tp4089
sI1363
(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)'
p4090
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)'
p4091
tp4092
sI1364
(S'C=CCl'
p4093
S'C1(OC(Cl)1)'
p4094
tp4095
sI1365
(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)))'
p4096
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))'
p4097
tp4098
sI1366
(S'C(O)C1(C(O)C([N+])C(O)C(O)O1)'
p4099
S'C(OP([O-])([O-])=O)C1(OC(O)C(O)C([N+])C(O)1)'
p4100
tp4101
sI1367
(S'C1(Cl)(C(C(C(Cl)C(C(Cl)1)Cl)Cl)Cl)'
p4102
S'C1(=C(C(C(Cl)C(Cl)C1Cl)Cl)Cl)'
p4103
tp4104
sI1368
(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))'
p4105
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))'
p4106
tp4107
sI1369
(S'C([N+]CCCCC([N+])C(=O)[O-])C(=O)C(O)C(O)C(O)CO'
p4108
S'C([N+]CCCCC([N+])C(=O)[O-])C(=O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p4109
tp4110
sI1370
(S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)O)C1)'
p4111
S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)=O)C1)'
p4112
tp4113
sI1371
(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'
p4114
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'
p4115
tp4116
sI1372
(S'C2(=C(C1(C=CC=CC=1N2))CC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO)'
p4117
S'C2(=C(C1(C=CC=CC=1N2))CC(SCC([N+])C(=O)NCC([O-])=O)=NO)'
p4118
tp4119
sI1373
(S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N(C)2))'
p4120
S'CN2(C(=O)N(C)C(C1(O)(N(C)C(=O)N=C12))=O)'
p4121
tp4122
sI1374
(S'C1(=CNC2(=C1C=C(O)C(O)=C2))'
p4123
S'C1(=CNC2(C1=CC(=O)C(=O)C=2))'
p4124
tp4125
sI1375
(S'C[N+]1(C(O)CCC1CC(CC(OC)=O)=O)'
p4126
S'CN1([CH]2(CC(=O)C(C(OC)=O)[CH]1CC2))'
p4127
tp4128
sI1376
(S'CNC(=O)CCC([N+])C(=O)[O-]'
p4129
S'C[N+]C(C(=O)[O-])CCC([O-])=O'
p4130
tp4131
sI1377
(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'
p4132
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'
p4133
tp4134
sI1378
(S'[CH](C1(C=CC(O)=CC=1))=O'
p4135
S'C(C1(C=C(C(=CC=1)O)O))=O'
p4136
tp4137
sI1379
(S'CC1(=CCCC(C)=CCC(C(CO)=C)CC1)'
p4138
S'CC1(=CCCC(C)=CCC(C(C=O)=C)CC1)'
p4139
tp4140
sI1380
(S'CC(=C3(CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p4141
S'CC(=C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p4142
tp4143
sI1381
(S'C(=O)([O-])C1(O)(C=CC(=CC(O)1)C(=O)[O-])'
p4144
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p4145
tp4146
sI1382
(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)))'
p4147
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)))'
p4148
tp4149
sI1383
(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))))'
p4150
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))))'
p4151
tp4152
sI1384
(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'
p4153
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'
p4154
tp4155
sI1385
(S'C(C1(=CC=CC=C1O))([O-])=O'
p4156
S'C(O)C2(OC(OC1(C(=CC=CC=1)C(=O)[O-]))C(O)C(O)C(O)2)'
p4157
tp4158
sI1386
(S'CC1(C=CC(=CC=1)S([O-])(=O)=O)'
p4159
S'CC1(C=CC(O)=C(C=1)O)'
p4160
tp4161
sI1387
(S'C1(NC(=CC=1)C2(NC(CO)=C(O)C=2))'
p4162
S'C1(NC(=CC=1)C2(NC(C=O)=C(O)C=2))'
p4163
tp4164
sI1388
(S'CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p4165
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p4166
tp4167
sI1389
(S'CC1(C)(C2(CC(O)C(C)1CC2))'
p4168
S'CC1(C)([CH]2(CC(=O)C1(C)CC2))'
p4169
tp4170
sI1390
(S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p4171
S'CC(=CCC2(C1(C(C3(=C(C(C1CC=C2C)=O)C(=C(C(=C3C(C)C)OC)[O-])C=O))=O)(C)))C'
p4172
tp4173
sI1391
(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'
p4174
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)))'
p4175
tp4176
sI1392
(S'CS(=O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p4177
S'C=CCC(=NOS(=O)(=O)[O-])SC1(C(O)C(O)C(O)C(CO)O1)'
p4178
tp4179
sI1393
(S'C4(C=C3(C(=O)[CH](C2(OC1(C=CC(=O)C=C1)2))OC3=CC(O)=4))'
p4180
S'C1(C=C(O)C=CC=1C(OO)[CH]2(OC3(C(C(=O)2)=CC=C(O)C=3)))'
p4181
tp4182
sI1394
(S'C(C(CO)=O)O'
p4183
S'C(C(=O)CO)OP([O-])([O-])=O'
p4184
tp4185
sI1395
(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-])'
p4186
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)'
p4187
tp4188
sI1396
(S'CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F'
p4189
S'CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F'
p4190
tp4191
sI1397
(S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p4192
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'
p4193
tp4194
sI1398
(S'CSCCCCC(=O)C([O-])=O'
p4195
S'CSCCCCC([N+])C(=O)[O-]'
p4196
tp4197
sI1399
(S'COC1(=CC=C(C=C1)C3(=C([O-])C(=O)C2(=C(O)C=C(O)C=C2O3)))'
p4198
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)))'
p4199
tp4200
sI1400
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p4201
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))'
p4202
tp4203
sI1401
(S'CC(=O)C1(O)(CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p4204
S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)(O)1)[CH]2CCC3=CC(=O)CC4)))'
p4205
tp4206
sI1402
(S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(=CC2(=CNC=N2))NC(=O)3))=4))'
p4207
S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p4208
tp4209
sI1403
(S'CCC1(OC(=O)C=CC=CC=CCC(O)CC(O)C=CCC(O)C(C)C(O)CCC1)'
p4210
S'CCC1(OC(=O)C=CC=CC=CCC(O)CC(O)C=CCC(=O)C(C)C(O)CCC1)'
p4211
tp4212
sI1404
(S'CC1(C(N2(N(C=1C)C(=C(C2=O)C)CBr))=O)'
p4213
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))'
p4214
tp4215
sI1405
(S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p4216
S'CC(C)=CCC3(=C(C(C1(=COC2(C(C(=O)1)=C(O)C=C([O-])C=2)))=CC=C(O)3)O)'
p4217
tp4218
sI1406
(S'CC2(C(C1(=CC([O-])=CC(=O)O1))=C(O)C=C(O)C=2)'
p4219
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)'
p4220
tp4221
sI1407
(S'C3(C(C2(C(=O)C1(=CC=C(C=C1OC(O)2)O)))=CC=C(C=3)O)'
p4222
S'COC3(C=CC(C2(C(OC1(=C(C=CC(O)=C1)C(=O)2))O))=CC=3)'
p4223
tp4224
sI1408
(S'C([N+])CCC[N+]'
p4225
S'CC(=O)NCCCC[N+]'
p4226
tp4227
sI1409
(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'
p4228
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'
p4229
tp4230
sI1410
(S'C([O-])(=O)C(Cl)=CC(=C(Cl)C([O-])=O)Cl'
p4231
S'C([O-])(=O)C(Cl)C1(OC(=O)C(Cl)=C1)Cl'
p4232
tp4233
sI1411
(S'CSCCCO'
p4234
S'CSCCC=O'
p4235
tp4236
sI1412
(S'C(O)C(O)C(=O)C(O)C(O)COP([O-])([O-])=O'
p4237
S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p4238
tp4239
sI1413
(S'C2(=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC(=C2)O)'
p4240
S'C2(=CC3(OC1(C(=C(O)C=C([O-])C=1)C(=O)C(C=C(O)2)=3)))'
p4241
tp4242
sI1414
(S'COC2(C=C3(OC(C1(=CC=C(O)C(O)=C1))=C(OC)C(=O)C(=C(O)C(O)=2)3))'
p4243
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(OC)=3)OC))'
p4244
tp4245
sI1415
(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))'
p4246
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))'
p4247
tp4248
sI1416
(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)))'
p4249
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)'
p4250
tp4251
sI1417
(S'CC1(C=CC(=CC=1)[N+](=O)[O-])'
p4252
S'C(O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p4253
tp4254
sI1418
(S'C(O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p4255
S'C(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p4256
tp4257
sI1419
(S'C3(C=CC(C2(OC1(C(=C(O)C=C([O-])C=1)C(=O)C=2)))=CC=3)'
p4258
S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p4259
tp4260
sI1420
(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'
p4261
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'
p4262
tp4263
sI1421
(S'CN3([CH](C1(C(=CC2(OCOC(C(O)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p4264
S'CN3([CH](C1(C(=CC2(OCOC(C(OC)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p4265
tp4266
sI1422
(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))'
p4267
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)))))'
p4268
tp4269
sI1423
(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'
p4270
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'
p4271
tp4272
sI1424
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p4273
S'C1(C=C(O)C(O)=CC=1C2(OC3(C(C(=O)C=2[O-])=C(O)C(O)=C(O)C=3)))'
p4274
tp4275
sI1425
(S'COC1(C=CC(=CC=1)C2(OC3(=CC(OC)=C(OC)C(O)=C(C(=O)C=2)3)))'
p4276
S'COC1(C=CC(=CC=1)C2(OC3(C(O)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p4277
tp4278
sI1426
(S'CC(=O)CC1(=CC2(C=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p4279
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1C([O-])=O)=2))'
p4280
tp4281
sI1427
(S'C1(C=CC(=C(C=1)C2(=CC=CC(=C(O)2)O))O)'
p4282
S'C1(C=CC(=C(C=1)C(C=CC=C(C(=O)[O-])O)=O)O)'
p4283
tp4284
sI1428
(S'CC([N+]CC(=O)[O-])C(=O)[O-]'
p4285
S'C([N+])C([O-])=O'
p4286
tp4287
sI1429
(S'C=C(C1(CCC(CC1=O)C))C'
p4288
S'C=C(C1(CCC(=CC1=O)C))C'
p4289
tp4290
sI1430
(S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)C(O)1)'
p4291
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)C(O)1)'
p4292
tp4293
sI1431
(S'C1(CC[CH]([N+](C)=1)C2(C=NC=CC=2))'
p4294
S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p4295
tp4296
sI1432
(S'C[N+](CCOP([O-])([O-])=O)(C)C'
p4297
S'C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OCC1(OC(C(O)C(O)1)N2(C=CC(=NC2=O)N))'
p4298
tp4299
sI1433
(S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=C(C(O)=C1C)O)O))C)C)C)C)C)C'
p4300
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)'
p4301
tp4302
sI1434
(S'CC(C)(O)CCC3(C(O)=CC(O)=C2(C(OCC(C1(=CC=C(C=C(O)1)O))C(=O)2)=3))'
p4303
S'CC(=CCC1(=C(C=C(C2(=C1OCC(C2=O)C3(C=CC(=CC=3O)O)))O)[O-]))C'
p4304
tp4305
sI1435
(S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=CC(=C(O1)2)C))'
p4306
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=CC(=C(O1)2)C)C))'
p4307
tp4308
sI1436
(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))))'
p4309
S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p4310
tp4311
sI1437
(S'C(F)[CH]=O'
p4312
S'C(F)C(O)C([N+])C(=O)[O-]'
p4313
tp4314
sI1438
(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'
p4315
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'
p4316
tp4317
sI1439
(S'C1(C=C(O)C(O)=C(C=1)O)'
p4318
S'C1(C(=CC(O)=CC=1O)O)'
p4319
tp4320
sI1440
(S'COC2(=CC(C=CC(=CC(CCC1(=CC(=C(C=C1)O)OC))=O)O)=CC=C(O)2)'
p4321
S'COC2(=CC(CCC(=CC(CCC1(=CC(=C(C=C1)O)OC))=O)O)=CC=C(O)2)'
p4322
tp4323
sI1441
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p4324
S'COC1(=C(OC2(C=C(O)C=C(O)C(C(=O)1)=2))C3(=CC(O)=C(O)C(O)=C3))'
p4325
tp4326
sI1442
(S'CC(C[N+])=O'
p4327
S'CC([CH]=O)=O'
p4328
tp4329
sI1443
(S'[CH](CCCC(=O)[O-])=O'
p4330
S'C(CC([O-])=O)CC(=O)[O-]'
p4331
tp4332
sI1444
(S'C([O-])(=O)CC(O)(C([O-])=O)C[PH]([O-])=O'
p4333
S'C([O-])(=O)C(C(O)C([O-])=O)C[PH]([O-])=O'
p4334
tp4335
sI1445
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C'
p4336
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'
p4337
tp4338
sI1446
(S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C)CCCC34C)))'
p4339
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(CO)CCCC34C)))'
p4340
tp4341
sI1447
(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))'
p4342
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))'
p4343
tp4344
sI1448
(S'C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]'
p4345
S'CSCCCCC(=O)C([O-])=O'
p4346
tp4347
sI1449
(S'C(OP([O-])(=O)[O-])C(O)C(O)C(=O)CO'
p4348
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'
p4349
tp4350
sI1450
(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'
p4351
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'
p4352
tp4353
sI1451
(S'CC(O)(C)C#N'
p4354
S'CC(C)(C#N)OC1(OC(CO)C(O)C(O)C(O)1)'
p4355
tp4356
sI1452
(S'COC1(=C([N+]([O-])=O)C=C([N+]([O-])=O)C=C1)'
p4357
S'C1(=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])'
p4358
tp4359
sI1453
(S'C2(C=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC=2)'
p4360
S'C2(=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC(=C2)O)'
p4361
tp4362
sI1454
(S'CC(C)CO'
p4363
S'CC(C)[CH]=O'
p4364
tp4365
sI1455
(S'CSCCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p4366
S'CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p4367
tp4368
sI1456
(S'CC(C)C1(CCC3(C)(C=1CCC(C)[CH]2(CCC(C)=C2C3)))'
p4369
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)=C2C3)))'
p4370
tp4371
sI1457
(S'CC(C)=CCC2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p4372
S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=CC=CC=23)))C(N5([CH](C4=O)CCC5))=O))'
p4373
tp4374
sI1458
(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))'
p4375
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)))'
p4376
tp4377
sI1459
(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-])))'
p4378
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-])))'
p4379
tp4380
sI1460
(S'C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p4381
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)'
p4382
tp4383
sI1461
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p4384
S'C1(C=C(C(=CC=1C3(=C(C(C2(=C(C=C(C(=C2O3)O)O)O))=O)[O-]))O)O)'
p4385
tp4386
sI1462
(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'
p4387
S'CC(C)CCCC([CH]4(C1(C)(C(C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))=CC4)))C'
p4388
tp4389
sI1463
(S'CC3(C)(CC4(C=C(C([O-])=O)[CH]2(C(C1(OC1)C(=O)OC2)(C3)4)))'
p4390
S'CC3(C(C)C4(C=C(C([O-])=O)[CH]2(C(C1(OC1)C(=O)OC2)(C=3)4)))'
p4391
tp4392
sI1464
(S'C[N+]4(CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p4393
S'C[N+]4(CC(C(=O)[O-])=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p4394
tp4395
sI1465
(S'C(O[N+](=O)[O-])C(O[N+](=O)[O-])CO'
p4396
S'C(O[N+](=O)[O-])C(O)CO'
p4397
tp4398
sI1466
(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'
p4399
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'
p4400
tp4401
sI1467
(S'CC2(CCC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p4402
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)))'
p4403
tp4404
sI1468
(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)'
p4405
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)'
p4406
tp4407
sI1469
(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))'
p4408
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))'
p4409
tp4410
sI1470
(S'C(O)C1(OCC(=O)C(O)=C1)'
p4411
S'C(C1(CC(C(=CO1)O)=O))O'
p4412
tp4413
sI1471
(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'
p4414
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)))'
p4415
tp4416
sI1472
(S'CC2(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p4417
S'CC1(C3(=C(C[CH](CC([O-])=O)O1)C(C2(C(=C(C=CC=2)O)C(=O)3))=O))'
p4418
tp4419
sI1473
(S'CC(C)CC1(=[N+]([O-])C([O-])=C(CC(C)C)[N+]([O-])=C([O-])1)'
p4420
S'CC(C)CC2([N+]1(O[Fe+]OC=1C(CC(C)C)=[N+]3(O[Fe+]OC=23)))'
p4421
tp4422
sI1474
(S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C=2[O-])=O)O)O)))C=C(C=3O)O)'
p4423
S'COC1(=CC(=CC(O)=C(OC)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p4424
tp4425
sI1475
(S'CC(C)=CCCC(=CCO)C'
p4426
S'CC(=CCCC(=CCOC(C)=O)C)C'
p4427
tp4428
sI1476
(S'C(=O)([O-])C(=O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p4429
S'C(NC1(=C(N)C=CC=C1))C(=O)C(=O)[O-]'
p4430
tp4431
sI1477
(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))'
p4432
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))'
p4433
tp4434
sI1478
(S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p4435
S'CC(=O)NCCC1(=CNC2(C1=CC(OC)=C(O)C=2))'
p4436
tp4437
sI1479
(S'C[N+]2(CCC1(=CC(OC)=C(O)C=C1CC2CC3(C=C(OC)C(OC)=C(O)C=3)))'
p4438
S'C[N+]4(C2(CC3(C(C1(=C(OC)C(OC)=C(O)C=C1C2))(C=C(C(C=3)=O)OC)CC4)))'
p4439
tp4440
sI1480
(S'C5(=C[CH]4(C3(=C(C=C(C2(C(C1(C(=CC=CC=1OC=23)O))=O))O)O[CH]4O5)))'
p4441
S'COC5(C=C2(C([CH]1([CH](OC=C1)O2))=C4(OC3(C(=C(C=CC=3)O)C(=O)C4=5))))'
p4442
tp4443
sI1481
(S'C1(NC=CC=1C2(C(N)=C(Cl)C=CC=2))'
p4444
S'C1(NC=C(Cl)C=1C2(C(N)=C(Cl)C=CC=2))'
p4445
tp4446
sI1482
(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+]))'
p4447
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+]))'
p4448
tp4449
sI1483
(S'C4(CC(O)CC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p4450
S'CC=C(C(OC4(CC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]3CC4))))=O)C'
p4451
tp4452
sI1484
(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)'
p4453
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))'
p4454
tp4455
sI1485
(S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p4456
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'
p4457
tp4458
sI1486
(S'C(CCC1(C(=C(C=CC=1)O)O))([O-])=O'
p4459
S'C([O-])(=O)CCC(=O)C=CC=C(C([O-])=O)O'
p4460
tp4461
sI1487
(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))'
p4462
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)'
p4463
tp4464
sI1488
(S'C(C1(OC(C(C1O)O)N2(C3(=C(N=C2)C(=NC=N3)N))))F'
p4465
S'C(C1(OC(OP([O-])(=O)[O-])C(O)C1O))F'
p4466
tp4467
sI1489
(S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CC(C2C(C)3CCC(O)4)=O)CC([CH]=O)(C)CC5)C))))'
p4468
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))))'
p4469
tp4470
sI1490
(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)'
p4471
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)'
p4472
tp4473
sI1491
(S'C([O-])(=O)C(C(O)C([O-])=O)C[PH]([O-])=O'
p4474
S'C([O-])(=O)C(=O)CC[PH]([O-])=O'
p4475
tp4476
sI1492
(S'C(C[N+])CC([O-])=O'
p4477
S'C([CH]=O)CC(=O)[O-]'
p4478
tp4479
sI1493
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p4480
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-])))'
p4481
tp4482
sI1494
(S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N(C)2))'
p4483
S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(=O)N(C)2))'
p4484
tp4485
sI1495
(S'C([O-])(=O)C1(C=NC2(=CC=CC=C(N=1)2))'
p4486
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'
p4487
tp4488
sI1496
(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))))'
p4489
S'CC1(=CC2(=C(C(O)=C1)C3(C(C(O)=C2)=C(O)C4(=C(C(O)=3)C=CC=C(O)4))))'
p4490
tp4491
sI1497
(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)'
p4492
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)'
p4493
tp4494
sI1498
(S'CC2(CCC1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p4495
S'CC2(C(O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p4496
tp4497
sI1499
(S'C(CCC(NC(CCC(=O)[O-])=O)C(=O)[O-])=O'
p4498
S'C(CCC(=O)[O-])(NC(CCC(=O)[O-])C(=O)[O-])=O'
p4499
tp4500
sI1500
(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'
p4501
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'
p4502
tp4503
sI1501
(S'C1(=C(O)C=C2(C(=C1)[CH]3([CH](O2)C4(=C(OC3)C=C(O)C=C4))))'
p4504
S'C4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p4505
tp4506
sI1502
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p4507
S'COC3(C(=O)C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(O)=CC=2))=3))'
p4508
tp4509
sI1503
(S'C1(C(C(C(C(C1=O)=O)O)O)O)'
p4510
S'C(C(=O)[O-])C(O)C(O)C(O)C=O'
p4511
tp4512
sI1504
(S'CCCCCC=C[CH]=O'
p4513
S'CCCCCC(C(C)=O)C[CH]=O'
p4514
tp4515
sI1505
(S'C1(C=C(O)C(=CC=1C(C[N+])O)O)'
p4516
S'C[N+]CC(O)C1(C=CC(=C(C=1)O)O)'
p4517
tp4518
sI1506
(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))))'
p4519
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))))'
p4520
tp4521
sI1507
(S'C(O[N+](=O)[O-])C(O[N+]([O-])=O)CO[N+](=O)[O-]'
p4522
S'C(O[N+](=O)[O-])C(O)CO[N+](=O)[O-]'
p4523
tp4524
sI1508
(S'C=C(C2(CC1(C(C(C(CC(CO)1)O)O)C)CC2))C'
p4525
S'C=C(C2(CC1(C(C(C(CC1C=O)O)O)C)CC2))C'
p4526
tp4527
sI1509
(S'COC2(C(OC)=C1(C(O)O[CH](C1=CC=2)[CH]5(C4(=C(OC)C3(OCOC=3C=C4CCN(C)5)))))'
p4528
S'COC2(=C(OC)C1(C(=O)O[CH](C=1C=C2)[CH]5(C4(C(OC)=C3(OCOC3=CC=4CCN(C)5)))))'
p4529
tp4530
sI1510
(S'CC(CC([N+])C([O-])=O)CO'
p4531
S'CC(CC([N+])C([O-])=O)C(O)O'
p4532
tp4533
sI1511
(S'CC(O)C(NC(CCCCCCS)=O)C(=O)[O-]'
p4534
S'CC(OP([O-])(=O)[O-])C(NC(CCCCCCS)=O)C(=O)[O-]'
p4535
tp4536
sI1512
(S'C(CCC(=O)[O-])CC1(CCSS1)'
p4537
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)'
p4538
tp4539
sI1513
(S'C(C1(OC(C(C1O)O)(O)CO))OP([O-])([O-])=O'
p4540
S'C(O)C(=O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p4541
tp4542
sI1514
(S'CCC=CC[CH]=O'
p4543
S'CCCC=C[CH]=O'
p4544
tp4545
sI1515
(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'
p4546
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'
p4547
tp4548
sI1516
(S'C([O-])(=O)C(Cl)=CC(=O)CC(=O)[O-]'
p4549
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p4550
tp4551
sI1517
(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'
p4552
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'
p4553
tp4554
sI1518
(S'C(=O)C(CC([N+])C(=O)[O-])=CC=C(C(=O)[O-])O'
p4555
S'C([O-])(=O)C1(CC(C=N1)=CC=C(C(=O)[O-])O)'
p4556
tp4557
sI1519
(S'C(C(C=CC(=O)C(=O)[O-])Cl)(=O)[O-]'
p4558
S'C(C=CC(=O)C([O-])=O)Cl'
p4559
tp4560
sI1520
(S'CC(=O)NC1(C(O)OC(COP([O-])(=O)[O-])C(O)C(O)1)'
p4561
S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)COP([O-])([O-])=O)O)'
p4562
tp4563
sI1521
(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+])'
p4564
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)'
p4565
tp4566
sI1522
(S'CC(O)(CCO)CC(=O)[O-]'
p4567
S'CC(OP(=O)([O-])[O-])(CCO)CC(=O)[O-]'
p4568
tp4569
sI1523
(S'C(CCl)Cl'
p4570
S'C(Cl)CO'
p4571
tp4572
sI1524
(S'CSCCCC(=NO)S'
p4573
S'CSCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p4574
tp4575
sI1525
(S'CC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p4576
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p4577
tp4578
sI1526
(S'CSCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p4579
S'CSCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p4580
tp4581
sI1527
(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'
p4582
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'
p4583
tp4584
sI1528
(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'
p4585
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'
p4586
tp4587
sI1529
(S'CC(=O)C(O)C(O)C(=O)COP([O-])(=O)[O-]'
p4588
S'CC(=O)C(O)C(O)CC([N+])C([O-])=O'
p4589
tp4590
sI1530
(S'C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)'
p4591
S'CC1(C=CC(=C(N)C(O)=1)C(=O)CC([N+])C([O-])=O)'
p4592
tp4593
sI1531
(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))))'
p4594
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))))'
p4595
tp4596
sI1532
(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)))'
p4597
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)'
p4598
tp4599
sI1533
(S'CCC=CC(C(=O)[O-])=O'
p4600
S'CCC(O)=CC(=O)C(=O)[O-]'
p4601
tp4602
sI1534
(S'CC1(C[N+]2(C3(CC4(C(C)(C(C(C)C(CC1)2)3)CCC5(C4CC=C6(C(C)5CCC(O)C6))))))'
p4603
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)))))))'
p4604
tp4605
sI1535
(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'
p4606
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'
p4607
tp4608
sI1536
(S'C(O)C2(OC(OC1(C(=CC=CC=1)C(=O)[O-]))C(O)C(O)C(O)2)'
p4609
S'C(O)C2(OC(OC1(=C(C=C(O)C=C1)C([O-])=O))C(O)C(O)C(O)2)'
p4610
tp4611
sI1537
(S'CC(C([O-])=O)OC2(C(O)C1(COC(O1)C(NC(C)=O)2))'
p4612
S'CC(OC1(C(C(OC(C1O)COP([O-])([O-])=O)O)NC(=O)C))C([O-])=O'
p4613
tp4614
sI1538
(S'C(C1(C=CC=C(C=1)O))=O'
p4615
S'C([O-])(=O)C1(=CC(O)=CC=C1)'
p4616
tp4617
sI1539
(S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C([O-])=2)=C(O)C=C(O)C=3)))'
p4618
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)))'
p4619
tp4620
sI1540
(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)'
p4621
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)'
p4622
tp4623
sI1541
(S'CCCCCCCCCCCCCC=CC(O)C([N+])COP(=O)([O-])[O-]'
p4624
S'CCCCCCCCCCCCCC=C[CH]=O'
p4625
tp4626
sI1542
(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'
p4627
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(CO)C)O)C))))C'
p4628
tp4629
sI1543
(S'CC1(C=C(CC(C(=O)[O-])[N+])C=CC=1O)'
p4630
S'CC1(=CC(CC(C(=O)[O-])[N+])=CC(O)=C1O)'
p4631
tp4632
sI1544
(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)'
p4633
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)'
p4634
tp4635
sI1545
(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)))'
p4636
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)'
p4637
tp4638
sI1546
(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))))'
p4639
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-]'
p4640
tp4641
sI1547
(S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p4642
S'COC1(=C(C=CC(=C1)C=CC=O)OC2(C(C(C(C(O2)CO)O)O)O))'
p4643
tp4644
sI1548
(S'CC(C(C)O)NC(C)=O'
p4645
S'CC(C(C)=O)NC(C)=O'
p4646
tp4647
sI1549
(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)'
p4648
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)'
p4649
tp4650
sI1550
(S'CCCCCCCCCCCCCCO'
p4651
S'CCCCCCCCCCCCCCOC(=O)C'
p4652
tp4653
sI1551
(S'C(C(CCCNC(N)=[N+])=O)(=O)[O-]'
p4654
S'CC(CCNC(N)=[N+])C(C(=O)[O-])=O'
p4655
tp4656
sI1552
(S'C3(C(C2(OC1(=CC(=C(C=C1C(C2)=O)O)O)))=CC=C(C=3)O)'
p4657
S'C3(C(C1(C(C2(=CC(=C(C=C(OC1O)2)O)O))=O))=CC=C(C=3)O)'
p4658
tp4659
sI1553
(S'CC1(C([N+](=O)[O-])=CC(NO)=CC([N+]([O-])=O)=1)'
p4660
S'CC2(C([N+](=O)[O-])=CC(NO)=C(C1(OC(CO)C(O)C(O)C(O)1))C([N+]([O-])=O)=2)'
p4661
tp4662
sI1554
(S'COC1(=CC(=CC=C(O)1)CC3(C(CO)C(C2(C=CC(O)=C(OC)C=2))OC3))'
p4663
S'COC1(=CC(=CC=C(O)1)C4(OC[CH]3(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p4664
tp4665
sI1555
(S'C(C([O-])=O)C(=O)C([O-])=O'
p4666
S'C([O-])(C(=O)[O-])=O'
p4667
tp4668
sI1556
(S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p4669
S'CSCC1(OC(C(C1O)O)O)'
p4670
tp4671
sI1557
(S'C3(=C(C2(=[O+]C1(=CC(=CC(=C1C=C2)O)O)))C=C(O)C(=C3)O)'
p4672
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)'
p4673
tp4674
sI1558
(S'CCCCCCO'
p4675
S'CCCCC[CH]=O'
p4676
tp4677
sI1559
(S'CC1(C(=O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p4678
S'CC1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p4679
tp4680
sI1560
(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)'
p4681
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))'
p4682
tp4683
sI1561
(S'C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)'
p4684
S'C1(C=C(C(N)=C(O)C=1)C([O-])=O)'
p4685
tp4686
sI1562
(S'C(=NO)CC1(=CNC2(C=CC=CC1=2))'
p4687
S'C(#N=O)CC1(=CNC2(C=CC=CC1=2))'
p4688
tp4689
sI1563
(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'
p4690
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'
p4691
tp4692
sI1564
(S'CC2(OC(C)=C(OC1(C(O)C(O)C(O)C(CO)O1))C(=O)2)'
p4693
S'CC2(OC(C)=C(OC1(C(O)C(O)C(O)C(COC(=O)CC([O-])=O)O1))C(=O)2)'
p4694
tp4695
sI1565
(S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p4696
S'C(OP(=O)([O-])[O-])C1(OC(OP([O-])(=O)OP([O-])(=O)[O-])C(O)C(O)1)'
p4697
tp4698
sI1566
(S'C=C(C)C(CCC(O)C)CC([O-])=O'
p4699
S'C=C(C)C(CCC(=O)C)CC([O-])=O'
p4700
tp4701
sI1567
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p4702
S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p4703
tp4704
sI1568
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p4705
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p4706
tp4707
sI1569
(S'COC1(C=C(CC(=O)C(=O)[O-])C=CC(O)=1)'
p4708
S'COC1(=C(C=CC(=C1)CC([O-])=O)O)'
p4709
tp4710
sI1570
(S'C1(C(=CC=C(C=1)O)CCO)'
p4711
S'C(O)C2(C(O)C(O)C(O)C(OCCC1(C=CC(O)=CC=1))O2)'
p4712
tp4713
sI1571
(S'CCCC1(CCC(O)C[N+]1)'
p4714
S'CCCC1(N=CC(O)CC1)'
p4715
tp4716
sI1572
(S'C(C[N+])OP([O-])([O-])=O'
p4717
S'C(COP(OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)[N+]'
p4718
tp4719
sI1573
(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'
p4720
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'
p4721
tp4722
sI1574
(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)'
p4723
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)'
p4724
tp4725
sI1575
(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'
p4726
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'
p4727
tp4728
sI1576
(S'CC1(=CCCC(C)=CCC(C(C=O)=C)CC1)'
p4729
S'CC1(=CCCC(C)=CCC(C(C(=O)[O-])=C)CC1)'
p4730
tp4731
sI1577
(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))'
p4732
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))'
p4733
tp4734
sI1578
(S'CSCCCCCCCC(=O)C([O-])=O'
p4735
S'CSCCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p4736
tp4737
sI1579
(S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(CC2(=CC=CC=C2))3))'
p4738
S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=CC=C2))3))'
p4739
tp4740
sI1580
(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)'
p4741
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)'
p4742
tp4743
sI1581
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p4744
S'CC(C)=CCCC([CH]1(CCC4([CH]1CC[CH]3(C2([CH](C(C)(C)CCC2)CCC34C)(C)))(C)))=C'
p4745
tp4746
sI1582
(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)))'
p4747
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)))'
p4748
tp4749
sI1583
(S'CSCCCCCCC=NO'
p4750
S'CSCCCCCCC#N=O'
p4751
tp4752
sI1584
(S'C(O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p4753
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)'
p4754
tp4755
sI1585
(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))'
p4756
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-]))))'
p4757
tp4758
sI1586
(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)))'
p4759
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)))'
p4760
tp4761
sI1587
(S'C(=O)([O-])C=C(CC(C([O-])=O)=O)C([O-])=O'
p4762
S'C(=C(O)C(=O)[O-])C(=CC(=O)[O-])C(=O)[O-]'
p4763
tp4764
sI1588
(S'CC1(C=CC(=CC=1)CO)'
p4765
S'CC1(C=CC(C=O)=CC=1)'
p4766
tp4767
sI1589
(S'C(NC(N)=O)CCC([N+])C(=O)[O-]'
p4768
S'C(NC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CCC(C(=O)[O-])[N+]'
p4769
tp4770
sI1590
(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))'
p4771
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP(=O)([O-])[O-])=2))'
p4772
tp4773
sI1591
(S'C(C(C([O-])=O)OC1(C(C(C(C(O1)CO)O)O)O))OP([O-])([O-])=O'
p4774
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-]'
p4775
tp4776
sI1592
(S'C3(=CC(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=C(C=C3O)O)'
p4777
S'C1(OC4(C=C(O)C=CC(C2(=C1C3(C(O2)=CC(O)=CC=3)))=4))'
p4778
tp4779
sI1593
(S'C(C1(C=CC(C(=O)[O-])=CC=1))=O'
p4780
S'C(C1(C=CC(=CC=1)C([O-])=O))([O-])=O'
p4781
tp4782
sI1594
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p4783
S'COC3(C=C(C2(=C(OC=C(C1(C=CC(O)=CC=1))C(=O)2)C=3))O)'
p4784
tp4785
sI1595
(S'C2(=CC(O)=C(OC1(=CC=CC(O)=C(O)1))C=C2)'
p4786
S'C(C=CC=C(C(=O)[O-])O)(OC1(=CC=CC=C1O))=O'
p4787
tp4788
sI1596
(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)'
p4789
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)'
p4790
tp4791
sI1597
(S'CC1(C=CC(CO)=CC=1O)'
p4792
S'CC1(C=CC(C=O)=CC=1O)'
p4793
tp4794
sI1598
(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)'
p4795
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)'
p4796
tp4797
sI1599
(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)))'
p4798
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)))'
p4799
tp4800
sI1600
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p4801
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p4802
tp4803
sI1601
(S'CN2(C(=O)NC1(=C(NC=N1)C(=O)2))'
p4804
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p4805
tp4806
sI1602
(S'C(C(C(CO)O)O)O'
p4807
S'C(O)C(O)C(=O)CO'
p4808
tp4809
sI1603
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p4810
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)O))'
p4811
tp4812
sI1604
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N2(C=NC(C(=O)N)=C(N)2))'
p4813
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(N1(C=NC(C(=O)N)=C(NC=O)1))O2)'
p4814
tp4815
sI1605
(S'C(C([N+])C(=O)[O-])S(=O)(=O)[O-]'
p4816
S'[O-]S([O-])=O'
p4817
tp4818
sI1606
(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)'
p4819
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'
p4820
tp4821
sI1607
(S'C1(=C(Cl)C(O)C(O)C(=C1)Cl)'
p4822
S'C1(C(Cl)=C(C(=C(Cl)C=1)O)O)'
p4823
tp4824
sI1608
(S'C([O-])(=O)C([N+])C(O)C(=O)C1(=C(N)C=CC=C1)'
p4825
S'C(C(C(O)C(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p4826
tp4827
sI1609
(S'C1(O)(OCC2(=CC(=O)OC(=C1)2))'
p4828
S'C(O)C=C1(C(CO)=CC(=O)O1)'
p4829
tp4830
sI1610
(S'CCCCC1(=CN=C(C(=O)[O-])C=C1)'
p4831
S'CCCCC1(=CN=C(C(=O)OC)C=C1)'
p4832
tp4833
sI1611
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)O))'
p4834
S'COC3(=CC(O)=C2(C(=O)C(O)=C(C1(C=C(OC)C(O)=CC=1))OC2=C3))'
p4835
tp4836
sI1612
(S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=CC=CC=23)))C(N5([CH](C4=O)CCC5))=O))'
p4837
S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p4838
tp4839
sI1613
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p4840
S'C2(=C(C1(C=CC=CC=1N2))C(O)C(=O)[O-])'
p4841
tp4842
sI1614
(S'C([N+])COC(CC(C(=O)[O-])(O)CC(=O)[O-])=O'
p4843
S'C([N+])COC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C(=O)[O-])[N+]'
p4844
tp4845
sI1615
(S'CC(=CCC4(=C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C3=CC=C(O)4))))C'
p4846
S'CC3(C)(OC4(C=CC5(C1(C(C2(=C(OC1)C=C(C=C2)O))OC(C(C=C3)=4)=5))))'
p4847
tp4848
sI1616
(S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p4849
S'CCC(C(CO)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p4850
tp4851
sI1617
(S'CC1(=CC=C(N)C(O)=C1)'
p4852
S'CC(=CC=C(C(=O)[O-])N)[CH]=O'
p4853
tp4854
sI1618
(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'
p4855
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'
p4856
tp4857
sI1619
(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'
p4858
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'
p4859
tp4860
sI1620
(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-]'
p4861
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-]'
p4862
tp4863
sI1621
(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-]'
p4864
S'C[N+](C)(C)C(CC1(=CNC(S(=O)CC(C([O-])=O)[N+])=N1))C(=O)[O-]'
p4865
tp4866
sI1622
(S'C=CCC3(C=CC(OC2(OC(COC1(OCC(O)(CO)C(O)1))C(O)C(O)C(O)2))=CC=3)'
p4867
S'C=CCC1(C=CC(=CC=1)O)'
p4868
tp4869
sI1623
(S'CC1(=CC(OC(=O)1)(Cl)CC([O-])=O)'
p4870
S'CC1(=CC(=CC(=O)[O-])OC(=O)1)'
p4871
tp4872
sI1624
(S'CC(=C1(CCC(CC1=O)C))C'
p4873
S'CC1(CCC2(=C(C1)OC=C2C))'
p4874
tp4875
sI1625
(S'NN'
p4876
S'N=O'
p4877
tp4878
sI1626
(S'CS(=O)C'
p4879
S'CSC'
p4880
tp4881
sI1627
(S'C2(C=CC1(=CC(O)=C(C=C1O2)OC3(C(C(C(O)C(O3)CO)O)O)))(=O)'
p4882
S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p4883
tp4884
sI1628
(S'C([O-])(=O)C=CC=C(N)C(=O)[O-]'
p4885
S'C([O-])(=O)CC=CC(=O)C(=O)[O-]'
p4886
tp4887
sI1629
(S'C(S)C(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p4888
S'C(S)C(C(NCCC(=O)[O-])=O)NC(=O)CCC([N+])C([O-])=O'
p4889
tp4890
sI1630
(S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O'
p4891
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p4892
tp4893
sI1631
(S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p4894
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))))'
p4895
tp4896
sI1632
(S'C[Se+](C)CCC[N+]'
p4897
S'C[Se+](C)CCC=O'
p4898
tp4899
sI1633
(S'C[Se+](C)CCC([N+])C(=O)[O-]'
p4900
S'C[Se]C'
p4901
tp4902
sI1634
(S'C1(CC[CH]([N+](C)1)C2(C=NC(O)=CC=2))'
p4903
S'C1(CC=C([N+](C)1)C2(C=NC(O)=CC=2))'
p4904
tp4905
sI1635
(S'C(Cl)C(O)C(O)C(O)C=O'
p4906
S'C(Cl)C1(C(O)C(O)C(=O)O1)'
p4907
tp4908
sI1636
(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'
p4909
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'
p4910
tp4911
sI1637
(S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p4912
S'CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO'
p4913
tp4914
sI1638
(S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)O))C'
p4915
S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)O))C'
p4916
tp4917
sI1639
(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'
p4918
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)'
p4919
tp4920
sI1640
(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)))'
p4921
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)))'
p4922
tp4923
sI1641
(S'C(O)C2(O)(NC(=O)C(O)(CC1(=CC=CC=C1))NC(=O)2)'
p4924
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'
p4925
tp4926
sI1642
(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))))'
p4927
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))))'
p4928
tp4929
sI1643
(S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p4930
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p4931
tp4932
sI1644
(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'
p4933
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)'
p4934
tp4935
sI1645
(S'CC1(C(O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p4936
S'CC1(C(=O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p4937
tp4938
sI1646
(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)'
p4939
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)'
p4940
tp4941
sI1647
(S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p4942
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C)CCCC(C)2[CH]3CC4))))'
p4943
tp4944
sI1648
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p4945
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)([CH](CC=C23)CC(O)CC4))))'
p4946
tp4947
sI1649
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p4948
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(=O)CCC(C)1C=2CCC(C)34))))'
p4949
tp4950
sI1650
(S'C(CC[N+])[N+]'
p4951
S'C(CC[N+])=O'
p4952
tp4953
sI1651
(S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p4954
S'COC1(=C(C=C(C=C1)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)=O))OC)'
p4955
tp4956
sI1652
(S'C=CC(CCC=C(CCC=C(CCC=C(C)C)C)C)(C)O'
p4957
S'C=CC=C(CCC=C(CCC=C(C)C)C)C'
p4958
tp4959
sI1653
(S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p4960
S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p4961
tp4962
sI1654
(S'C=C[CH]=O'
p4963
S'CC[CH]=O'
p4964
tp4965
sI1655
(S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p4966
S'C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](C)(C)C'
p4967
tp4968
sI1656
(S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(O)O1)'
p4969
S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p4970
tp4971
sI1657
(S'CC(C(C1(C(=CC(=CC=1O)O)O))=O)C'
p4972
S'CC(=CCC1(=C(C=C(C(=C1O)C(C(C)C)=O)O)[O-]))C'
p4973
tp4974
sI1658
(S'CC12(CCC(C[CH]1CC[CH]4([CH]2CCC3([CH](CCC(=O)3)4)C))=O)'
p4975
S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p4976
tp4977
sI1659
(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)))'
p4978
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)))'
p4979
tp4980
sI1660
(S'CSO'
p4981
S'CSS(=O)C'
p4982
tp4983
sI1661
(S'C(OP(=O)([O-])[O-])C2(OC(CO)(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2)'
p4984
S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p4985
tp4986
sI1662
(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)))'
p4987
S'CC2(C(C)=CC1(=C(N=CN1)C=2))'
p4988
tp4989
sI1663
(S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)NC(CCC(C(=O)[O-])[N+])=O)C(CCCC([O-])=O)O'
p4990
S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O'
p4991
tp4992
sI1664
(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'
p4993
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)'
p4994
tp4995
sI1665
(S'CC1(CC([O-])=O)(C=CC(=O)O1)'
p4996
S'CC1(=CC(=O)OC(CC(=O)[O-])1)'
p4997
tp4998
sI1666
(S'C(O)C([N+])C(=O)[O-]'
p4999
S'CCCCCCCCCCCCCCCC(C(CO)[N+])=O'
p5000
tp5001
sI1667
(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'
p5002
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'
p5003
tp5004
sI1668
(S'C(NC(N)=[N+])C([O-])=O'
p5005
S'C(C(=O)[O-])N(C)C(N)=[N+]'
p5006
tp5007
sI1669
(S'CC1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p5008
S'C=C1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p5009
tp5010
sI1670
(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)))'
p5011
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))))'
p5012
tp5013
sI1671
(S'C(C1(C=CC=CC=1))([O-])=O'
p5014
S'C(O)C2(OC(OC(C1(C=CC=CC=1))=O)C(O)C(O)C(O)2)'
p5015
tp5016
sI1672
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p5017
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)))'
p5018
tp5019
sI1673
(S'C(C(=O)[O-])C(O)[CH]=O'
p5020
S'C(=O)([O-])CC(O)C([O-])=O'
p5021
tp5022
sI1674
(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'
p5023
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'
p5024
tp5025
sI1675
(S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=C(C)C(=C(O1)2)C))'
p5026
S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))'
p5027
tp5028
sI1676
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p5029
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p5030
tp5031
sI1677
(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)'
p5032
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)'
p5033
tp5034
sI1678
(S'CC(CC(=O)[O-])C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p5035
S'CC(=O)C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p5036
tp5037
sI1679
(S'CC1(CCCC(C)(C)C=1C=CC(C([O-])=O)=COC2(C=C(C)C(=O)O2))'
p5038
S'CC1(C(=O)OC(C=1)OC=C2(C(=O)O[CH]3([CH]2CC4(=C3C(C)(C)CCC4))))'
p5039
tp5040
sI1680
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p5041
S'C(NC(C=CC1(C=CC(=CC=1)O))=O)CC2(C=CC(O)=CC=2)'
p5042
tp5043
sI1681
(S'C2(CC1(C=C(OC)C(=CC=1[CH]3(CC4(=CC=C(OC)C(OC)=C(CN23)4)))OC))'
p5044
S'C2(CC1(C=C(OC)C(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(C=[N+]23)4)))OC))'
p5045
tp5046
sI1682
(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))))'
p5047
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))))'
p5048
tp5049
sI1683
(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-])))'
p5050
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'
p5051
tp5052
sI1684
(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)'
p5053
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)'
p5054
tp5055
sI1685
(S'CSCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p5056
S'CSCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p5057
tp5058
sI1686
(S'CC(O)(C(=O)[O-])CC(=O)[O-]'
p5059
S'CC(C([O-])=O)=CC([O-])=O'
p5060
tp5061
sI1687
(S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p5062
S'C(C1(=CNC2(=C1C=CC=C2)))SCC(N)C(=O)O'
p5063
tp5064
sI1688
(S'C(CO)(Cl)(Cl)Cl'
p5065
S'C(C([O-])=O)(Cl)(Cl)Cl'
p5066
tp5067
sI1689
(S'C(C1(C=CC=CC=1))O'
p5068
S'C(C1(=CC=CC=C1))(=O)OCC2(C=CC=CC=2)'
p5069
tp5070
sI1690
(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)))'
p5071
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)'
p5072
tp5073
sI1691
(S'CC(CCO)C'
p5074
S'CC(C)C[CH]=O'
p5075
tp5076
sI1692
(S'C1(C([N+])C(O)C(O)C(O)C([N+])1)'
p5077
S'CC(=O)NC1(C(O)C(O)C(CO)OC1OC2(C([N+])CC(C(C2O)O)[N+]))'
p5078
tp5079
sI1693
(S'CN4(CCC2(C=C1(C(OCO1)=CC=2C(=O)CC5(C=CC3(OCOC=3C(C4)=5)))))'
p5080
S'CN4(CCC1(C(=CC2(OCOC(C=1)=2))C(CC5(C=CC3(OCOC=3C(C4O)=5)))=O))'
p5081
tp5082
sI1694
(S'C(S(=O)(=O)[O-])C1(OC(O)(COP([O-])(=O)[O-])C(O)C(O)1)'
p5083
S'C(C(=O)CO)OP([O-])([O-])=O'
p5084
tp5085
sI1695
(S'C2(=CC=C1(C(C(=O)C=C(O)O1)=C2))'
p5086
S'C1(=CC2(=C(C=C1)OC(C(=C(O)2)CC3(C(OC4(C(C=3O)=CC=CC=4))=O))=O))'
p5087
tp5088
sI1696
(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)'
p5089
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)'
p5090
tp5091
sI1697
(S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=CC(O)=C(C)C(=C(O1)2)C))'
p5092
S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C(C)=C(C)C=1O)O))C)C'
p5093
tp5094
sI1698
(S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p5095
S'C(=O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p5096
tp5097
sI1699
(S'CC(C)(C)O[CH]=O'
p5098
S'CC(C)(C)O'
p5099
tp5100
sI1700
(S'CCC(O)(C)C(C([O-])=O)O'
p5101
S'CCC(C)C(=O)C([O-])=O'
p5102
tp5103
sI1701
(S'COC4(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C4OC)'
p5104
S'COC4(C(=C(O)C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)OC)'
p5105
tp5106
sI1702
(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))))'
p5107
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))))'
p5108
tp5109
sI1703
(S'CC1(=CC(OC(=O)1)(Cl)CC([O-])=O)'
p5110
S'CC(=CC(Cl)=CC([O-])=O)C([O-])=O'
p5111
tp5112
sI1704
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p5113
S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p5114
tp5115
sI1705
(S'C(C([N+])C(=O)[O-])S([O-])=O'
p5116
S'C(S([O-])=O)C(=O)C(=O)[O-]'
p5117
tp5118
sI1706
(S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p5119
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)'
p5120
tp5121
sI1707
(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'
p5122
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'
p5123
tp5124
sI1708
(S'CCCCCC=CCC=CCCCCCCCC([O-])=O'
p5125
S'CCCCCC=CC=CC(CCCCCCCC([O-])=O)OO'
p5126
tp5127
sI1709
(S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p5128
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'
p5129
tp5130
sI1710
(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'
p5131
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'
p5132
tp5133
sI1711
(S'CC(C)CC(NC(=O)C[N+])C(NC(=C)P(=O)([O-])O)=O'
p5134
S'CC(C)CC(NC(=O)C[N+])C(NC(=C)P([O-])(OC)=O)=O'
p5135
tp5136
sI1712
(S'C([N+])CCCNC(=O)CCC([N+])C(=O)[O-]'
p5137
S'[CH](=O)CCCNC(=O)CCC([N+])C(=O)[O-]'
p5138
tp5139
sI1713
(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)'
p5140
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)'
p5141
tp5142
sI1714
(S'C(=O)(CC1(C=CC(=O)O1))[O-]'
p5143
S'C1(CC(=O)OC=1CC([O-])=O)'
p5144
tp5145
sI1715
(S'CC(C)(O)C(O)C(=O)[O-]'
p5146
S'CC(C(C([O-])=O)=O)C'
p5147
tp5148
sI1716
(S'CC(O)(CO)C(O)COP([O-])([O-])=O'
p5149
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'
p5150
tp5151
sI1717
(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))))'
p5152
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))))'
p5153
tp5154
sI1718
(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)))'
p5155
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)))'
p5156
tp5157
sI1719
(S'CC1(=NCCC2(=C1NC3(C=C(O)C=CC2=3)))'
p5158
S'CC1(=NC=CC2(=C1NC3(C=C(O)C=CC2=3)))'
p5159
tp5160
sI1720
(S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p5161
S'C([CH]=O)=CC(C(=O)[O-])=C(O)C(=O)[O-]'
p5162
tp5163
sI1721
(S'C=C(C1(CCC(=CC1)C=O))C'
p5164
S'C=C(C1(CCC(=CC1)C([O-])=O))C'
p5165
tp5166
sI1722
(S'C1(OC(O)C2(=C(O)C=C(O)C(=O)C=C12))'
p5167
S'C1(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p5168
tp5169
sI1723
(S'COC1(=CC=C(C=C1)C3(=C([O-])C(=O)C2(=C(O)C=C(O)C=C2O3)))'
p5170
S'COC1(C=CC(=CC=1)C2(OC3(C(C(=O)C(OC)=2)=C(O)C=C(O)C=3)))'
p5171
tp5172
sI1724
(S'C(C(CC1(C=CC(O)=C(O)C=1))O)(=O)[O-]'
p5173
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(C([O-])=O)CC2(C=CC(=C(C=2)O)O))=O'
p5174
tp5175
sI1725
(S'C3(C=C1(C(OC2(C(C1=O)=C(C=C([O-])C=2)O))=C(C=3)O))'
p5176
S'C2(C1(C(=O)C3(=C(O)C=C([O-])C=C(OC=1C(O)=C(O)C=2)3)))'
p5177
tp5178
sI1726
(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)'
p5179
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)'
p5180
tp5181
sI1727
(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))'
p5182
S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p5183
tp5184
sI1728
(S'C4(C2(C(=CC=C1(OCOC1=2))C3(C=CC5(C=C6(OCOC(=CC(C=3N(C)4)=5)6)))))'
p5185
S'C[N+]2(C1(C5(=C(C=CC=1C3(C=CC4(OCOC(C(C=2)=3)=4)))C=C6(C(=C5)OCO6))))'
p5186
tp5187
sI1729
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C=O)CCCC(C)2[CH]3CC4))))'
p5188
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))'
p5189
tp5190
sI1730
(S'C([N+])CCC[N+]'
p5191
S'C(NO)CCC[N+]'
p5192
tp5193
sI1731
(S'C=C1(CC24(CC(O)1CCC(C3(C(CC2)C(C(O)=O)(C)CCC3)C)4))'
p5194
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))'
p5195
tp5196
sI1732
(S'CC1(COC(C1O)=O)C'
p5197
S'CC1(C)(C(=O)C(=O)OC1)'
p5198
tp5199
sI1733
(S'COC2(C3(C(C1(C(OC)=CC4(O[CH]5(OCC[CH](C(C=1OC(C=CC=2)=3)=4)5))))=O))'
p5200
S'COC1(C5(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC(=O)C4(=C(CCOC(=O)4)5)))'
p5201
tp5202
sI1734
(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)))'
p5203
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)))'
p5204
tp5205
sI1735
(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))))'
p5206
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))))'
p5207
tp5208
sI1736
(S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p5209
S'C(O)C2(OC(OC1(CO)(OC(CO)C(O)C(O)1))C(O)C(=O)C(O)2)'
p5210
tp5211
sI1737
(S'COC3(C(=CC(=C2(C(C(=C(C1(=CC=C(C(=C1)O)O))OC2=3)[O-])=O))O)O)'
p5212
S'COC1(=CC(=CC=C1O)C3(=C(C(C2(=C(C=C(C(=C2O3)OC)O)O))=O)[O-]))'
p5213
tp5214
sI1738
(S'C(O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p5215
S'C(=O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p5216
tp5217
sI1739
(S'CC(=CCC1(=C(C=C(C(=C1O)C(CC(C)C)=O)O)[O-]))C'
p5218
S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C'
p5219
tp5220
sI1740
(S'CC(O)(C)CO'
p5221
S'CC(O)(C)[CH]=O'
p5222
tp5223
sI1741
(S'[CH](=O)CCC(=O)C1(C=CC=NC=1)'
p5224
S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p5225
tp5226
sI1742
(S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p5227
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p5228
tp5229
sI1743
(S'CS(=O)(=O)C'
p5230
S'CS(=O)(=O)[O-]'
p5231
tp5232
sI1744
(S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1C(O)C=C2C3)C))C'
p5233
S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)O)C))C'
p5234
tp5235
sI1745
(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'
p5236
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'
p5237
tp5238
sI1746
(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)'
p5239
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)'
p5240
tp5241
sI1747
(S'CC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(CCOC2(=CC1(N=C3(C(=NC=1C=C2)C=CC=C3))))C)C)C'
p5242
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOC3(=CC2(NC1(=CC=CC=C1NC=2C=C3)))'
p5243
tp5244
sI1748
(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)'
p5245
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+])'
p5246
tp5247
sI1749
(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)'
p5248
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)'
p5249
tp5250
sI1750
(S'CC(O)C1(C=CC(O)=CC=1)'
p5251
S'CC(=O)C1(C=CC(O)=CC=1)'
p5252
tp5253
sI1751
(S'CC(=O)CC([O-])=O'
p5254
S'CC(=O)C'
p5255
tp5256
sI1752
(S'C(=O)([O-])C1(=CC(OP(=O)([O-])[O-])C(O)C(O)C1)'
p5257
S'C=C(C(=O)[O-])OC1(CC(C(=O)[O-])=CC(OP(=O)([O-])[O-])C(O)1)'
p5258
tp5259
sI1753
(S'C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)'
p5260
S'COC1(=CC(C=CC([O-])=O)=CC=C(O)1)'
p5261
tp5262
sI1754
(S'C1(=NC(O)=NC(=N1)O)(NC2(CC2))'
p5263
S'C1(NC(NC(=O)N1)=O)=O'
p5264
tp5265
sI1755
(S'C([N+])CCCCN(O)C(CCC([O-])=O)=O'
p5266
S'C([N+])CCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)[O-])O'
p5267
tp5268
sI1756
(S'C1(=C(CC(C(O)C(O)1)O)C(=O)[O-])'
p5269
S'C(=O)([O-])C1(=CC(OP(=O)([O-])[O-])C(O)C(O)C1)'
p5270
tp5271
sI1757
(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)))'
p5272
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)'
p5273
tp5274
sI1758
(S'C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p5275
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)'
p5276
tp5277
sI1759
(S'CN5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C5))))'
p5278
S'C[N+]5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C=5))))'
p5279
tp5280
sI1760
(S'CC=CC1(C=CC(=C(C=1)OC)O)'
p5281
S'CC=CC1(C=CC(=C(C=1)OC)OC)'
p5282
tp5283
sI1761
(S'C3(=CC(C2(COC1(=CC(=CC(=C1C2=O)O)[O-])))=C(C=C3O)O)'
p5284
S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p5285
tp5286
sI1762
(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)))'
p5287
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))'
p5288
tp5289
sI1763
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p5290
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)))'
p5291
tp5292
sI1764
(S'CC(C)=CCC2(=C(C1(=CC=C(O)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p5293
S'CC(C)=CCC2(=C(C1(=CC=C(OC)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p5294
tp5295
sI1765
(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)'
p5296
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)'
p5297
tp5298
sI1766
(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'
p5299
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'
p5300
tp5301
sI1767
(S'CC(=O)C3(O)(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p5302
S'CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p5303
tp5304
sI1768
(S'CC(=O)CC1(=C(O)C2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p5305
S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1CO)=2))'
p5306
tp5307
sI1769
(S'C(CC(=O)C(=O)[O-])P([O-])(O)=O'
p5308
S'C(P([O-])(O)=O)CC([N+])C([O-])=O'
p5309
tp5310
sI1770
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p5311
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p5312
tp5313
sI1771
(S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(O)C(=O)2))'
p5314
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(=O)C(=O)2))'
p5315
tp5316
sI1772
(S'CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO'
p5317
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p5318
tp5319
sI1773
(S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p5320
S'C(C1(OC(C(C1O)O)(CO)OP([O-])([O-])=O))OP(=O)([O-])[O-]'
p5321
tp5322
sI1774
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p5323
S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p5324
tp5325
sI1775
(S'CC(C3(=CCC2(C1([CH](C(CCC1)(C)C)CCC=2C3)C)))C'
p5326
S'CC(C)C1(=CC=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))'
p5327
tp5328
sI1776
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(O)=C(N)1)C(=O)[O-])'
p5329
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)C(=O)[O-])'
p5330
tp5331
sI1777
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p5332
S'CC12(CCCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))'
p5333
tp5334
sI1778
(S'[CH](C(=O)[O-])=O'
p5335
S'[CH](=O)C(O)C(=O)[O-]'
p5336
tp5337
sI1779
(S'CCCCCCCCCCCCCC(=O)CC(=O)[O-]'
p5338
S'CCCCCCCCCCCCCC(=O)C'
p5339
tp5340
sI1780
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p5341
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p5342
tp5343
sI1781
(S'C1(C(=CC(Cl)=C(C=1Cl)[O-])O)'
p5344
S'C1(C(=CC(O)=C(O)C(Cl)=1)O)'
p5345
tp5346
sI1782
(S'C1(=O)(C(N)=C(S)C(=CS)N1)'
p5347
S'C2(=O)(C(N)=C1(SSC=C1N2))'
p5348
tp5349
sI1783
(S'[CH](CP([O-])(O)=O)=O'
p5350
S'C([O-])(=O)C(=O)CC(O)CP(=O)([O-])O'
p5351
tp5352
sI1784
(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'
p5353
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'
p5354
tp5355
sI1785
(S'C1(Cl)(=NC(O)=C(Cl)C=C(Cl)1)'
p5356
S'C1(O)(=NC(=O)C(O)=CC(=O)1)'
p5357
tp5358
sI1786
(S'C(=O)(C(CC([O-])=O)C(O)C([O-])=O)[O-]'
p5359
S'C(C([O-])=O)C(C(C(=O)[O-])=O)C([O-])=O'
p5360
tp5361
sI1787
(S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(O)C(O)C(OP(=O)([O-])[O-])1)'
p5362
S'C1(O)(C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p5363
tp5364
sI1788
(S'C(OP([O-])(=O)[O-])C(O)[CH]1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p5365
S'C(C([CH]1(OC(C(C(C1O)O)O)OP([O-])(=O)[O-]))O)O'
p5366
tp5367
sI1789
(S'CC3(C1(OC2(C=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5368
S'CC3(C1(OC2(C=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C3)'
p5369
tp5370
sI1790
(S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(O)C(OP([O-])([O-])=O)1)'
p5371
S'C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p5372
tp5373
sI1791
(S'C(C(C1(C=CC=CC=1))O)#N'
p5374
S'C#N'
p5375
tp5376
sI1792
(S'CSCCCCCC#N=O'
p5377
S'CSCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p5378
tp5379
sI1793
(S'CC(CCNC(N)=[N+])C(C(=O)[O-])=O'
p5380
S'CC(C(C(=O)[O-])[N+])CCNC(=[N+])N'
p5381
tp5382
sI1794
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p5383
S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CC=C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p5384
tp5385
sI1795
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C'
p5386
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'
p5387
tp5388
sI1796
(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))))'
p5389
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))))'
p5390
tp5391
sI1797
(S'C(=O)C(O)C1(C=CC(O)=C(O)C=1)'
p5392
S'C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O'
p5393
tp5394
sI1798
(S'C(O)C1(OCC(=O)C(O)=C1)'
p5395
S'C1(C=CC(=O)C(O1)(O)CO)'
p5396
tp5397
sI1799
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p5398
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'
p5399
tp5400
sI1800
(S'C([O-])(=O)C=CC([O-])=O'
p5401
S'C(C([O-])=O)=CC(=O)[O-]'
p5402
tp5403
sI1801
(S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p5404
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p5405
tp5406
sI1802
(S'[CH](C(=O)[O-])=O'
p5407
S'CCC(C(=O)[O-])C(C([O-])=O)O'
p5408
tp5409
sI1803
(S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O'
p5410
S'CCCCCC=CCC=CC=CC=CC(SCC(C(=O)[O-])[N+])C(CCCC([O-])=O)O'
p5411
tp5412
sI1804
(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'
p5413
S'CC3(CC4(C2(=CC(O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p5414
tp5415
sI1805
(S'CC(=O)OC1(C=CC(S(=O)(=O)[O-])=CC=1)'
p5416
S'C1(=C(O)C=CC(S(=O)(=O)[O-])=C1)'
p5417
tp5418
sI1806
(S'C([N+])C([O-])=O'
p5419
S'C(NCC([O-])=O)=[N+]'
p5420
tp5421
sI1807
(S'CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O'
p5422
S'CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O'
p5423
tp5424
sI1808
(S'C1(=CC2(NC3(C=CC=CC(NC(C=C1)=2)=3)))'
p5425
S'C1(=CC=C2(N=C3(C=CC=CC(=NC(=C1)2)3)))'
p5426
tp5427
sI1809
(S'C1(C=C(Cl)C(=CC=1)O)'
p5428
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p5429
tp5430
sI1810
(S'C1(=CC(O)=C(O)C=C1C=C2(C(=O)C3(=CC=C(O)C=C(O2)3)))'
p5431
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)'
p5432
tp5433
sI1811
(S'C[N+](C)(CC([O-])=O)C'
p5434
S'C[N+](CC([O-])=O)C'
p5435
tp5436
sI1812
(S'C([O-])(=O)C1(OC(C(O)O)=CC=1)'
p5437
S'C([O-])(=O)C1(OC(C([O-])=O)=CC=1)'
p5438
tp5439
sI1813
(S'C2(CC1(=CC5(OCOC(C=C1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4)))=5)))'
p5440
S'C[N+]34([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC5(C=CC(=C(C(C4)=5)OC)OC))'
p5441
tp5442
sI1814
(S'C(=CC1(=CC=C(O)C=C1))CO'
p5443
S'CC(=O)OCC=CC1(=CC=C(O)C=C1)'
p5444
tp5445
sI1815
(S'CSCC1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p5446
S'CSCC1(OC(OP([O-])(=O)[O-])C(C1O)O)'
p5447
tp5448
sI1816
(S'C=C(C1(CC(C(CC1)(O)C)O))C'
p5449
S'C=C(C1(CCC(O)(C)C(=O)C1))C'
p5450
tp5451
sI1817
(S'C1(OC(C(C(O)C1O)O)OCC3(C(O)C(O)C(O)C(OCC2(C=CC=CC=2))O3))'
p5452
S'C(C1(C=CC=CC=1))O'
p5453
tp5454
sI1818
(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)'
p5455
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))))'
p5456
tp5457
sI1819
(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))'
p5458
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))'
p5459
tp5460
sI1820
(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'
p5461
S'C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(N)([O-])=O'
p5462
tp5463
sI1821
(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))))'
p5464
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))))'
p5465
tp5466
sI1822
(S'C([N+])CCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)[O-])O'
p5467
S'C1(NC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCC1)'
p5468
tp5469
sI1823
(S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p5470
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))'
p5471
tp5472
sI1824
(S'CC(CCC1(=CC=C(C=C1)O))=O'
p5473
S'CC(C=CC1(=CC=C(C=C1)O))=O'
p5474
tp5475
sI1825
(S'COC1(=C(O)C=CC(=C1)C3(OC[CH]4(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p5476
S'COC1(=CC(=CC=C(O)1)CC3(C(CO)C(C2(C=CC(O)=C(OC)C=2))OC3))'
p5477
tp5478
sI1826
(S'CC(C)=CCCC1(=CC(C2(C(=CC=C(C(C1=O)=2)O)O))=O)'
p5479
S'CC(C)=CCC(C2(=CC(C1(C(=CC=C(C=1C2=O)O)O))=O))O'
p5480
tp5481
sI1827
(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'
p5482
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'
p5483
tp5484
sI1828
(S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)OC(C)=O)))'
p5485
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CC(O)C=1C(C)(C)2)3)OC(C)=O)))'
p5486
tp5487
sI1829
(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))))'
p5488
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))))'
p5489
tp5490
sI1830
(S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p5491
S'C(OP([O-])([O-])=O)C(O)C(O)C(=O)COP(=O)([O-])[O-]'
p5492
tp5493
sI1831
(S'CC1(=CC(=CC(C=O)=C1)O)'
p5494
S'CC1(C=C(O)C=C(C=1)C([O-])=O)'
p5495
tp5496
sI1832
(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'
p5497
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'
p5498
tp5499
sI1833
(S'CC(C)=CCC2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p5500
S'CC(C)=CCC2(=C(C1(=CC=C(O)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p5501
tp5502
sI1834
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p5503
S'COC2(C=C1(C(OC(=O)C=C1)=CC=2O))'
p5504
tp5505
sI1835
(S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p5506
S'COC3(C=CC(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC(O)=3)'
p5507
tp5508
sI1836
(S'[CH](Cl)=[CH]Cl'
p5509
S'C=CCl'
p5510
tp5511
sI1837
(S'C([O-])(=O)C(=O)CC(O)CP(=O)([O-])O'
p5512
S'C(=O)([O-])C(=O)C=CCP(=O)([O-])O'
p5513
tp5514
sI1838
(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))))))'
p5515
S'CC(O)(C)C1(OC3(C2(OC(C1)2)C4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p5516
tp5517
sI1839
(S'CC(NC1(C(OC(CC([O-])=O)C(=O)[O-])OC(C(C1O)O)CO))=O'
p5518
S'C(C1(C(C(C(C(OC(CC([O-])=O)C(=O)[O-])O1)[N+])O)O))O'
p5519
tp5520
sI1840
(S'CC1(C=CC(=C(C)C=1)O)'
p5521
S'CC1(C=C(CO)C=CC=1O)'
p5522
tp5523
sI1841
(S'COC1(=CC(=CC=C(O)1)C(=O)[O-])'
p5524
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p5525
tp5526
sI1842
(S'CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))'
p5527
S'CCCCCCCC(NC1(C(N2(C(C(=O)[O-])C(C)(C)S[CH]12))=O))=O'
p5528
tp5529
sI1843
(S'C(O)CCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O'
p5530
S'C(O)CCCCCCCC=CCCCCCCCC(OCCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCO)CO)=O)=O'
p5531
tp5532
sI1844
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p5533
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)))'
p5534
tp5535
sI1845
(S'C([O-])(=O)CC1(O)(C(=O)NC2(C=CC=CC1=2))'
p5536
S'C1(C=CC2(NC(=O)C(O)C(C=1)=2))'
p5537
tp5538
sI1846
(S'C(O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p5539
S'C(C1(OC(C(C(C1O)O)O)O))OP([O-])([O-])=O'
p5540
tp5541
sI1847
(S'C1(=CC(=C(O)C=C1C[CH]=O)O)'
p5542
S'C([O-])(=O)CC1(C=CC(=C(C=1)O)O)'
p5543
tp5544
sI1848
(S'CCCCCC(C(C)=O)C[CH]=O'
p5545
S'CCCCCC1(CC[N+]=C(C)1)'
p5546
tp5547
sI1849
(S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p5548
S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p5549
tp5550
sI1850
(S'C(C([CH]1(C(C(C(O1)=O)O)O))O)O'
p5551
S'C(C(O)[CH]1(OC(=O)C(O)C(=O)1))O'
p5552
tp5553
sI1851
(S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(CCC(C)[CH]2C3)))'
p5554
S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(C(O)CC(C)[CH]2C3)))'
p5555
tp5556
sI1852
(S'CC1(=C([O-])C(=O)CO1)'
p5557
S'CCC=C1(C(=O)C([O-])=C(C)O1)'
p5558
tp5559
sI1853
(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))'
p5560
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))'
p5561
tp5562
sI1854
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p5563
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)=O'
p5564
tp5565
sI1855
(S'C(CP([O-])(O)=O)[N+]'
p5566
S'C([N+])C(O)P([O-])(O)=O'
p5567
tp5568
sI1856
(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))))'
p5569
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))))'
p5570
tp5571
sI1857
(S'C(C(O)P([O-])(=O)O)OP([O-])(=O)[O-]'
p5572
S'C(C(=O)P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p5573
tp5574
sI1858
(S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(=O)N(C)2))'
p5575
S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(OC)=N2))'
p5576
tp5577
sI1859
(S'CC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C'
p5578
S'CC(=CCCC(=CCCC(=CCCC(=CCO)C)CO)C)C'
p5579
tp5580
sI1860
(S'C(O)C(O)C(O)CC(C(=O)[O-])=O'
p5581
S'C(OP(=O)([O-])[O-])C(O)C(O)CC(=O)C([O-])=O'
p5582
tp5583
sI1861
(S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p5584
S'C1(=C(C(CCC(=O)[O-])=O)C=CC(O)=N1)'
p5585
tp5586
sI1862
(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))'
p5587
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))'
p5588
tp5589
sI1863
(S'CC(C)CCCC(C)CCCC(C)CCCC1(C)(CCC2(=C(C(O)=C(C)C(=C(O1)2)C)C))'
p5590
S'CC(CCCC(C)CO)CCCC(C)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p5591
tp5592
sI1864
(S'C(C1(OC(C(C1O)O)(CO)OP([O-])([O-])=O))OP(=O)([O-])[O-]'
p5593
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p5594
tp5595
sI1865
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p5596
S'COC1(=C(O)C(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p5597
tp5598
sI1866
(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))))'
p5599
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))))'
p5600
tp5601
sI1867
(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'
p5602
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'
p5603
tp5604
sI1868
(S'C(COC1(C=CC(=CC=1Cl)Cl))(=O)[O-]'
p5605
S'C1(C=C(O)C(Cl)=CC=1Cl)'
p5606
tp5607
sI1869
(S'C[N+](C)(CC(O)O)C'
p5608
S'C[N+](C)(C[CH]=O)C'
p5609
tp5610
sI1870
(S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=C(C)C=2C)O)))C)C)C'
p5611
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=C(C)C(O)=C1))C)C'
p5612
tp5613
sI1871
(S'CC1(=C(C(=C(C=N1)C([O-])=O)C([O-])=O)O)'
p5614
S'CC1(=C(C=C(C=N1)C([O-])=O)O)'
p5615
tp5616
sI1872
(S'C1(=NNC=C1)'
p5617
S'C1(=CC=NN1CC([N+])C(=O)[O-])'
p5618
tp5619
sI1873
(S'C([O-])(=O)C1(O)(C=CC=C(Cl)C(O)1)'
p5620
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p5621
tp5622
sI1874
(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'
p5623
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)'
p5624
tp5625
sI1875
(S'C1(C=C(N)C(=CC=1)O)'
p5626
S'C(C=C(C([O-])=O)N)=C[CH]=O'
p5627
tp5628
sI1876
(S'C1(NC(N)=C[N+]=1)'
p5629
S'C1(NC(CN=1)=O)'
p5630
tp5631
sI1877
(S'C1(C=C(O)C=CC=1C3(C(C2(C(=CC(O)=CC(O)=2)OC(O)3))=O))'
p5632
S'COC3(=CC=C(C1(C(O)OC2(C(C(=O)1)=C(O)C=C([O-])C=2)))C=C3)'
p5633
tp5634
sI1878
(S'C=C(C2(CC1(C(C(C(CC1C=O)O)O)C)CC2))C'
p5635
S'C=C(C2(CC1(C(C(C(CC=1CC2)O)O)C)))C'
p5636
tp5637
sI1879
(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)))'
p5638
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)'
p5639
tp5640
sI1880
(S'C1(CC=C([N+](C)1)C2(C=NC(O)=CC=2))'
p5641
S'C[N+]CCCC(=O)C1(=CC=C(O)N=C1)'
p5642
tp5643
sI1881
(S'CC(NCCCCC(=O)C([O-])=O)=O'
p5644
S'CC(NCCCCC([O-])=O)=O'
p5645
tp5646
sI1882
(S'CC2(=CC(=C(C(=O)C1(C(C(OC)=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p5647
S'CC2(=CC(O)=C1(C(=O)C3(OC1=C2)(C(OC)=CC(=O)C=C(C(OC)=O)3)))'
p5648
tp5649
sI1883
(S'CCOP(=O)([O-])OCC'
p5650
S'CCOP([O-])(=O)[O-]'
p5651
tp5652
sI1884
(S'CCCC(CCCC[N+])=O'
p5653
S'CCCC1(=[N+]CCCC1)'
p5654
tp5655
sI1885
(S'C=CCC1(C=CC(=C(C=1)OC)O)'
p5656
S'CC(OCC=CC1(=CC(=C(C=C1)O)OC))=O'
p5657
tp5658
sI1886
(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)'
p5659
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))'
p5660
tp5661
sI1887
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p5662
S'CC(C)=CCCC(=CCCC(C)=CCCC=C(CCC=C(C)CCC(C)C(=C)C)C)C'
p5663
tp5664
sI1888
(S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p5665
S'CC1(N=CC(COP(=O)([O-])[O-])=C(N=1)N)'
p5666
tp5667
sI1889
(S'C(CC1(O)(C(=O)NC2(=C1C=CC=C2)))(=O)NC(CC(=O)[O-])C([O-])=O'
p5668
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'
p5669
tp5670
sI1890
(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)))'
p5671
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)))'
p5672
tp5673
sI1891
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p5674
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p5675
tp5676
sI1892
(S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p5677
S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p5678
tp5679
sI1893
(S'C1(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p5680
S'C1(O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p5681
tp5682
sI1894
(S'CC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p5683
S'CC(C)=CCCC1(C)(C2(CC1C(C)=CC2))'
p5684
tp5685
sI1895
(S'C2(=C(C1(C=CC=CC=1N2))C(O)C=O)'
p5686
S'C2(=C(C(=O)C=O)C1(C=CC=CC=1N2))'
p5687
tp5688
sI1896
(S'C(=O)([O-])C(O)CS(=O)(=O)[O-]'
p5689
S'C(=O)([O-])C(=O)CS(=O)(=O)[O-]'
p5690
tp5691
sI1897
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p5692
S'C([O-])(=O)CC(C([O-])=O)(CC1(=CC=C(C=C1)O))O'
p5693
tp5694
sI1898
(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)))))'
p5695
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)))))'
p5696
tp5697
sI1899
(S'COC3(C=C(C2(OC1(C=C(C=C(C=1C(C=2[O-])=O)O)O)))C=C(C=3O)O)'
p5698
S'COC1(=CC(=CC(O)=C(O)1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C(OC)=2)=3)))'
p5699
tp5700
sI1900
(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))'
p5701
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))'
p5702
tp5703
sI1901
(S'CCC=CCCCCCCCCCCO'
p5704
S'CCC=CCCCCCCCCCCOC(=O)C'
p5705
tp5706
sI1902
(S'CC1(C=C3(C(=C(C=1)O)C(C2(C(=CC(=CC=2O)[O-])C3=O))=O))'
p5707
S'CC2(C=C(O)C1(C(=O)C3(C(O)=CC=CC(C(=O)C=1C=2)=3)))'
p5708
tp5709
sI1903
(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))'
p5710
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)'
p5711
tp5712
sI1904
(S'C1(=C(C(Cl)=CC(O)C(O)1)Cl)'
p5713
S'C1(C(=C(Cl)C=C(O)C(O)=1)Cl)'
p5714
tp5715
sI1905
(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))))'
p5716
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))))'
p5717
tp5718
sI1906
(S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p5719
S'C(OP([O-])(OCC(CO)O)=O)C[N+]'
p5720
tp5721
sI1907
(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)'
p5722
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))'
p5723
tp5724
sI1908
(S'CC(C)CC1(NC(=O)C(CC(C)C)NC(=O)1)'
p5725
S'CC(C)CC1(=[N+]([O-])C([O-])=C(CC(C)C)[N+]([O-])=C([O-])1)'
p5726
tp5727
sI1909
(S'C1(C=C(C(O)=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p5728
S'C3(=C(C2(=[O+]C1(=CC(=CC(=C1C=C2)O)O)))C=C(O)C(=C3)O)'
p5729
tp5730
sI1910
(S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CCC2=C3)C)C))C'
p5731
S'C=CC3(CC[CH]2(C1(CCC(O)C(C)([CH]1CCC2=C3)C)C))C'
p5732
tp5733
sI1911
(S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p5734
S'COC1(C=C(C(=CC=1)C3(CC2(C(=CC(=CC=2)O)OC3)))O)'
p5735
tp5736
sI1912
(S'CC(=O)NCCC[N+]CCCC[N+]CCC[N+]'
p5737
S'C([N+])CC[N+]CCCC[N+]'
p5738
tp5739
sI1913
(S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p5740
S'[CH](=O)C(C(CC(C([O-])=O)=O)O)O'
p5741
tp5742
sI1914
(S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p5743
S'COC(=O)C1(C2(=C(NC=1)C=CC=C2))'
p5744
tp5745
sI1915
(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)'
p5746
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)'
p5747
tp5748
sI1916
(S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p5749
S'COC3(=CC=C(CC2(C(CC1(=CC(=C(C=C1)O)OC))COC2=O))C=C3OC)'
p5750
tp5751
sI1917
(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))'
p5752
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))'
p5753
tp5754
sI1918
(S'CC(C3(=CC=C2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p5755
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p5756
tp5757
sI1919
(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)'
p5758
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)'
p5759
tp5760
sI1920
(S'CC(CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p5761
S'CC(=CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p5762
tp5763
sI1921
(S'CC(C)(C)OC'
p5764
S'CC(C)(C)OCO'
p5765
tp5766
sI1922
(S'C(CC(C([O-])=O)[N+])[N+]'
p5767
S'C(CC[N+])[N+]'
p5768
tp5769
sI1923
(S'C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))'
p5770
S'COC1(C4(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC5(C=CC=C(C(C4=O)=5)O)))'
p5771
tp5772
sI1924
(S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)OC))(CC5))))'
p5773
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(CC=4)=O)OC))(CC5))))'
p5774
tp5775
sI1925
(S'C(=O)([O-])CCCC(C([O-])=O)=CC(=O)[O-]'
p5776
S'C(CCCC(C(O)C(=O)[O-])C(=O)[O-])([O-])=O'
p5777
tp5778
sI1926
(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)'
p5779
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)'
p5780
tp5781
sI1927
(S'CC2([CH]1(CCC(C)(OO)C=C1[CH](CC2)C(C([O-])=O)C))'
p5782
S'CC1(CC[CH]3(C(C)C(O[CH]4(OC2(CC[CH]1C(OO2)34)(C)))=O))'
p5783
tp5784
sI1928
(S'C=CC1(C)(CC2(=CCC3(C(C)(C(O)O)CCCC(C)(C(CC1)2)3)))'
p5785
S'C=CC1(C)(CC2(=CCC3(C(C)(C=O)CCCC(C)(C(CC1)2)3)))'
p5786
tp5787
sI1929
(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+]))'
p5788
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+]))'
p5789
tp5790
sI1930
(S'C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)'
p5791
S'C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3)'
p5792
tp5793
sI1931
(S'[CH](=O)C(O)C(O)CC(=O)C(=O)[O-]'
p5794
S'C(C(C(CC(C([O-])=O)=O)O)=O)O'
p5795
tp5796
sI1932
(S'C1(C(=CC(O)=CC=1O)O)'
p5797
S'COC1(=CC(=CC(=C1)O)O)'
p5798
tp5799
sI1933
(S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)COP([O-])([O-])=O)O)'
p5800
S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)CO)O)'
p5801
tp5802
sI1934
(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)))'
p5803
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)))'
p5804
tp5805
sI1935
(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)'
p5806
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)'
p5807
tp5808
sI1936
(S'C1(=CC=C(C=C1)NO)'
p5809
S'C1(C=C(N)C(=CC=1)O)'
p5810
tp5811
sI1937
(S'CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p5812
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p5813
tp5814
sI1938
(S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)'
p5815
S'C1(=C(C=CC(=C1)O)C2(OC3(C(C(C2O)=O)=C(O)C=C(O)C=3)))'
p5816
tp5817
sI1939
(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)))'
p5818
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)))'
p5819
tp5820
sI1940
(S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C=O)=CC3)))'
p5821
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C([O-])=O)=CC3)))'
p5822
tp5823
sI1941
(S'CC3(C1(OC2(C=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5824
S'CC3(C1(OC2(C=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p5825
tp5826
sI1942
(S'C1(C=C3(C(=CC(O)=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p5827
S'COC1(=CC=C3(C(=C1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p5828
tp5829
sI1943
(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)'
p5830
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)'
p5831
tp5832
sI1944
(S'C2(OC1(=CC(=C(O)C=C1O2)C3(=CC4(C=CC(=CC(OC3)=4)O))))'
p5833
S'C4(OC5(=CC1(=C(C2(C(O1)C3(C=CC(O)=CC(OC2)=3))(O))C=C(O4)5)))'
p5834
tp5835
sI1945
(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'
p5836
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'
p5837
tp5838
sI1946
(S'C([O-])(=O)C=CC(=O)NCC([N+])C([O-])=O'
p5839
S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p5840
tp5841
sI1947
(S'C2(NC1(C=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p5842
S'C2(NC1(C=CC=CC=1C=2C3(C(=C(C([O-])=O)NC(C([O-])=O)=3)C4(=CNC5(=C4C=CC=C5)))))'
p5843
tp5844
sI1948
(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)'
p5845
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-])'
p5846
tp5847
sI1949
(S'CC1(C(NO)=CC([N+](=O)[O-])=CC([N+](=O)[O-])=1)'
p5848
S'CC2(C(NOC1(OC(CO)C(O)C(O)C(O)1))=CC([N+](=O)[O-])=CC([N+]([O-])=O)=2)'
p5849
tp5850
sI1950
(S'C(CO)C([N+])C([O-])=O'
p5851
S'C(CC(=O)OCCC(C([O-])=O)[N+])C([O-])=O'
p5852
tp5853
sI1951
(S'COC1(=CC(=C(C=C1)C2(CC3(=CC=C(C=C(OC2)3)O)))O)'
p5854
S'COC1(=CC(=C(C=C1)C2(CC3(O)(CCC(C=C(OC2)3)=O)))O)'
p5855
tp5856
sI1952
(S'CC1(C([N+](=O)[O-])=CC([N+])=CC([N+]([O-])=O)=1)'
p5857
S'CC2(C([N+](=O)[O-])=CC(NC1(OC(CO)C(O)C(O)C(O)1))=CC([N+]([O-])=O)=2)'
p5858
tp5859
sI1953
(S'C(O)C1(=CC(=O)C2(OC(C(=O)1)2))'
p5860
S'C1(O)(OCC2(=CC(=O)OC(=C1)2))'
p5861
tp5862
sI1954
(S'C(C([O-])=O)(Cl)(Cl)Cl'
p5863
S'C([O-])(C(=O)[O-])=O'
p5864
tp5865
sI1955
(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)'
p5866
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)'
p5867
tp5868
sI1956
(S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p5869
S'CC(C(=O)C(=O)[O-])C2(=CNC1(C=CC=CC=12))'
p5870
tp5871
sI1957
(S'C1(C=CC(CCO)=CC=1)'
p5872
S'[CH](=O)CC1(=CC=CC=C1)'
p5873
tp5874
sI1958
(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-])'
p5875
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)'
p5876
tp5877
sI1959
(S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p5878
S'[CH](=O)C(C(=O)[O-])=CC=C(O)C([O-])=O'
p5879
tp5880
sI1960
(S'CCC=CCC(O)C=CC=CC=CC=CC1(OC(CC=CCCC(=O)[O-])1)'
p5881
S'CCC=CCC(O)C=CC=CC=CC=CC(O)C(O)CC=CCCC(=O)[O-]'
p5882
tp5883
sI1961
(S'CC1(=CC=CC(C(O)1)O)'
p5884
S'CC1(=CC=CC(=C1O)O)'
p5885
tp5886
sI1962
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C)([CH](CC2)3)4)C(=O)[O-]))C=O)))'
p5887
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)))'
p5888
tp5889
sI1963
(S'C2(NC1(C=CC(O)=CC=1C=2CC(C(=O)[O-])[N+]))'
p5890
S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p5891
tp5892
sI1964
(S'C1(CC(=O)OC=1CC([O-])=O)'
p5893
S'C(=O)([O-])CC(=O)CCC(=O)[O-]'
p5894
tp5895
sI1965
(S'C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)'
p5896
S'C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)'
p5897
tp5898
sI1966
(S'C1(C=C(O)C=CC=1C(O)C#N)'
p5899
S'C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N'
p5900
tp5901
sI1967
(S'CC1(O)(OCC(O)C(O)(O)1)'
p5902
S'CC12(O[B-](O)(O)OC(O)1C(O)CO2)'
p5903
tp5904
sI1968
(S'CC(C(C(CO)O)=O)=O'
p5905
S'CC(C(C(COP([O-])(=O)[O-])O)=O)=O'
p5906
tp5907
sI1969
(S'COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)'
p5908
S'COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)'
p5909
tp5910
sI1970
(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))))'
p5911
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))))'
p5912
tp5913
sI1971
(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))))'
p5914
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))))'
p5915
tp5916
sI1972
(S'CC2(CCC1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p5917
S'CC2(CCC1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p5918
tp5919
sI1973
(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'
p5920
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C'
p5921
tp5922
sI1974
(S'CCCCCCCC1(=CC(=O)C2(=C(N1)C=CC=C2))'
p5923
S'CCCCCCCC1(=C(O)C(=O)C2(=C(N1)C=CC=C2))'
p5924
tp5925
sI1975
(S'C(OP([O-])(=O)[O-])C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p5926
S'C(O)C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p5927
tp5928
sI1976
(S'C(O)C(O)C1(C(O)C(=O)C(O)O1)'
p5929
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p5930
tp5931
sI1977
(S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=C(OC)C=C2))3)4))'
p5932
S'COC1(C=CC(=CC=1)C2(=C([O-])C(=O)NC3(C2=CC=CC=3)))'
p5933
tp5934
sI1978
(S'C(C(O)CC(=O)[O-])[N+](C)(C)C'
p5935
S'C(C(=O)CC(=O)[O-])[N+](C)(C)C'
p5936
tp5937
sI1979
(S'CCC=CCO'
p5938
S'CCC=C[CH]=O'
p5939
tp5940
sI1980
(S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP(=O)([O-])[O-])=2))'
p5941
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2))'
p5942
tp5943
sI1981
(S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O'
p5944
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C([O-])=O'
p5945
tp5946
sI1982
(S'CC(C)C1(C=CC=C(O)C(O)=1)'
p5947
S'CC(C)C(=O)C=CC=C(O)C([O-])=O'
p5948
tp5949
sI1983
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p5950
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p5951
tp5952
sI1984
(S'CC1(=C(Cl)C(C(Cl)C([O-])=O)OC(=O)1)'
p5953
S'CC1(=C(Cl)C(=CC([O-])=O)OC(=O)1)'
p5954
tp5955
sI1985
(S'C[N+](CCC([O-])=O)C'
p5956
S'C[N+](CCC([O-])=O)(C)C'
p5957
tp5958
sI1986
(S'C(C(CC1(C=CC(O)=C(O)C=1))=O)(=O)[O-]'
p5959
S'C(C(CC1(C=CC(O)=C(O)C=1))O)(=O)[O-]'
p5960
tp5961
sI1987
(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)))'
p5962
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'
p5963
tp5964
sI1988
(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)))'
p5965
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)))'
p5966
tp5967
sI1989
(S'CC(C)C1(=CC=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))'
p5968
S'CC(C)C1(=C(C=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))O)'
p5969
tp5970
sI1990
(g1370
S'CO'
p5971
tp5972
sI1991
(S'[As](O)([O-])O'
p5973
S'C[As](=O)([O-])O'
p5974
tp5975
sI1992
(S'C(C1(C(C(C(C(O1)O)O)O)O))([O-])=O'
p5976
S'C(C1(C(C(C(C(O1)=O)O)O)O))([O-])=O'
p5977
tp5978
sI1993
(S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)C'
p5979
S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)([CH]=O)C'
p5980
tp5981
sI1994
(S'COC1(C=C(C=CCO)C=C(OC)C(O)=1)'
p5982
S'COC1(C=C(C=CC=O)C=C(OC)C(O)=1)'
p5983
tp5984
sI1995
(S'C(CCC([O-])=O)O'
p5985
S'CC([O-])=O'
p5986
tp5987
sI1996
(S'C=CCC=CCC=CCCCCCCCC1(=CC(O)=CC(O)=C1)'
p5988
S'C=CCC=CCC=CCCCCCCCC1(C=C(O)C=C(OC)C=1)'
p5989
tp5990
sI1997
(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))'
p5991
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))))))))'
p5992
tp5993
sI1998
(S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP([O-])(C)=O)NC(C)=O'
p5994
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP(=O)([O-])C)[N+]'
p5995
tp5996
sI1999
(S'C(C1(C=CCC2(=C1NC3(C=CC=CC(N2)=3))))(=O)[O-]'
p5997
S'C1(=CC2(NC3(C=CC=CC(NC(C=C1)=2)=3)))'
p5998
tp5999
sI2000
(S'C(CO)C([N+])C([O-])=O'
p6000
S'CC(OCCC(C([O-])=O)[N+])=O'
p6001
tp6002
sI2001
(S'C[S+](C)CCC=O'
p6003
S'C[S+](C)CCC(=O)[O-]'
p6004
tp6005
sI2002
(S'C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)'
p6006
S'C1(C=C(O)C=CC=1C([O-])=CC(=O)C2(=CC=C(O)C=C(O)2))'
p6007
tp6008
sI2003
(S'C([O-])(=O)C=CC(CC(=O)C([O-])=O)=O'
p6009
S'C([O-])(=O)C=CC(CC(C([O-])=O)=O)=O'
p6010
tp6011
sI2004
(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))'
p6012
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))'
p6013
tp6014
sI2005
(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))'
p6015
S'COC1(C=C4(C(=CC=1C2(C(=O)C3(C=C(C(=CC(OC=2)=3)O)OC)))OCO4))'
p6016
tp6017
sI2006
(S'C1(=CC=C(C=C1)C=CC(CC(=O)C=CC2(C=CC(O)=CC=2))=O)'
p6018
S'C2(=CC=C(C=CC=CC(CCC1(=CC=C(C=C1)O))=O)C=C2)'
p6019
tp6020
sI2007
(S'C(NC(C(=O)[O-])CC([O-])=O)(=O)CC1(C(NC2(=CC=CC=C12))=O)'
p6021
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'
p6022
tp6023
sI2008
(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)))))'
p6024
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)))))'
p6025
tp6026
sI2009
(S'C2(NC1(C(Cl)=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p6027
S'C2(NC1(C(Cl)=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p6028
tp6029
sI2010
(S'C1(=CC(=O)C([O-])=CC(=O)1)'
p6030
S'C1(C=C(C(=CC(O)=1)O)O)'
p6031
tp6032
sI2011
(S'CC=CSCC([N+])C([O-])=O'
p6033
S'CC=CS(=O)CC([N+])C([O-])=O'
p6034
tp6035
sI2012
(S'C(OC1(OC(C(O)C(O)C(O)1)COC2(OCC(O)(CO)C(O)2)))C3(C=CC=CC=3)'
p6036
S'C(C1(C=CC=CC=1))O'
p6037
tp6038
sI2013
(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))))'
p6039
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))))'
p6040
tp6041
sI2014
(S'C(O)C([N+])C([O-])=O'
p6042
S'C=C(N)C(=O)[O-]'
p6043
tp6044
sI2015
(S'CCCCCCCC'
p6045
S'CCCCCCCCO'
p6046
tp6047
sI2016
(S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(O)4)=CC=C(OC)5))))'
p6048
S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(=O)4)=CC=C(OC)5))))'
p6049
tp6050
sI2017
(S'CCCCCCCCO'
p6051
S'CCCCCCC[CH]=O'
p6052
tp6053
sI2018
(S'CC(C1(CCC(CC1=O)C))C'
p6054
S'CC(C1(CCC(CC1O)C))C'
p6055
tp6056
sI2019
(S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)CO)=1)'
p6057
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)C)=1)'
p6058
tp6059
sI2020
(S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p6060
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)'
p6061
tp6062
sI2021
(S'CC(NC(CCC(C(=O)[O-])[N+])=O)C'
p6063
S'CC(CO)NC(=O)CCC([N+])C([O-])=O'
p6064
tp6065
sI2022
(S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))'
p6066
S'CC(=CCO)CCC1(C)(C(C)CC=C2(C(C)(C)CCCC12))'
p6067
tp6068
sI2023
(S'CC(=O)NC(C([O-])=O)CCC(=O)[O-]'
p6069
S'CC(=O)NC(C([O-])=O)CCC(=O)OP([O-])(=O)[O-]'
p6070
tp6071
sI2024
(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))'
p6072
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))'
p6073
tp6074
sI2025
(S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p6075
S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=CC=C(C=3)O)'
p6076
tp6077
sI2026
(S'C(C1(OC(C(C(C=1)O)O)O))([O-])=O'
p6078
S'[CH](=O)C(C(CC(C([O-])=O)=O)O)O'
p6079
tp6080
sI2027
(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)'
p6081
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)'
p6082
tp6083
sI2028
(S'C(SC(CC1(C=CC=CC=1))=NO)C([N+])C(=O)NCC(=O)[O-]'
p6084
S'C1(C=CC(=CC=1)CC(=NO)[S-])'
p6085
tp6086
sI2029
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p6087
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C)C'
p6088
tp6089
sI2030
(S'CC(=O)CC([O-])=O'
p6090
S'CCCC(=O)[O-]'
p6091
tp6092
sI2031
(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))))))))'
p6093
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)))'
p6094
tp6095
sI2032
(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))))'
p6096
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))))'
p6097
tp6098
sI2033
(S'CCCCCCCCCCCCCCC[CH]=O'
p6099
S'CCCCCCCCCCCCCC=C[CH]=O'
p6100
tp6101
sI2034
(S'C2(=C(CCO)C1(C=CC=CC=1N2))'
p6102
S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p6103
tp6104
sI2035
(S'C(=O)([O-])C(C1(C=CC(=CC=1)O))O'
p6105
S'C(C(C1(C=CC(O)=CC=1))=O)(=O)[O-]'
p6106
tp6107
sI2036
(S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p6108
S'C(C2(OC(OC1(OC(C(O)C(C1O)O)COP([O-])(=O)[O-]))(C(O)C(O)2)CO))O'
p6109
tp6110
sI2037
(S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p6111
S'C[N+]2(=CC5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=12)=3)4))))5)6)))'
p6112
tp6113
sI2038
(S'C(=O)CCCCCCCCCCCCCCC(=O)[O-]'
p6114
S'C(=O)([O-])CCCCCCCCCCCCCCC(=O)[O-]'
p6115
tp6116
sI2039
(S'C1(=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])'
p6117
S'C1(=CC(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p6118
tp6119
sI2040
(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'
p6120
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'
p6121
tp6122
sI2041
(S'CC1(C([N+](=O)[O-])=CC(=C(C=1)O)O)'
p6123
S'CC1(=CC(=O)C([O-])=CC1=O)'
p6124
tp6125
sI2042
(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))))'
p6126
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))))'
p6127
tp6128
sI2043
(S'CC1(=NCCC2(=C1NC3(C=C(O)C=CC2=3)))'
p6129
S'CC1(=NCCC2(=C1NC3(C=C(OC)C=CC2=3)))'
p6130
tp6131
sI2044
(S'C1(C(=CC(=C(C=1)O)CC([O-])=O)O)'
p6132
S'C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O'
p6133
tp6134
sI2045
(S'COC1(=CC=C3(C(=C1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p6135
S'COC1(C=CC2(=C(C=1)OC(C(N2[O-])=O)O))'
p6136
tp6137
sI2046
(S'C([N+])CCCC[N+]'
p6138
S'C(CC[N+]CCCCC[N+])[N+]'
p6139
tp6140
sI2047
(S'C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))'
p6141
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p6142
tp6143
sI2048
(S'CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p6144
S'CSCCCCCC(=O)C([O-])=O'
p6145
tp6146
sI2049
(S'C=CC1(C(C)[CH]2([CH](C(O)C=1)C3(C)([CH](CC2)C(C)(C)CCC3)))'
p6147
S'C=CC3(C(C)C2(C(C1(CCC(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p6148
tp6149
sI2050
(S'C2(C=CC(OC1(=CC=CC(O)C(O)1))=CC=2)'
p6150
S'C2(C=CC(OC1(=CC=CC(O)=C(O)1))=CC=2)'
p6151
tp6152
sI2051
(S'C1(C=C2(C(=CC=1)OC(CC2)=O))'
p6153
S'C(CCC1(C(=CC=CC=1)O))([O-])=O'
p6154
tp6155
sI2052
(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))))))'
p6156
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-]))'
p6157
tp6158
sI2053
(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-]))'
p6159
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)))'
p6160
tp6161
sI2054
(S'C=CCSCC([N+])C([O-])=O'
p6162
S'C=CCS(=O)CC([N+])C([O-])=O'
p6163
tp6164
sI2055
(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)))'
p6165
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)))'
p6166
tp6167
sI2056
(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)))'
p6168
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)))'
p6169
tp6170
sI2057
(S'C([Se])C([N+])C([O-])=O'
p6171
S'C[Se]CC([N+])C([O-])=O'
p6172
tp6173
sI2058
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p6174
S'COC3(=C(C=C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))C=C3)O)'
p6175
tp6176
sI2059
(S'C3(C=C1(C(OC2(C(C1=O)=C(C=C([O-])C=2)O))=C(C=3)O))'
p6177
S'C2(C=C(O)C3(OC1(C(=C(O)C=C([O-])C=1)C(=O)C(C(O)=2)=3)))'
p6178
tp6179
sI2060
(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)'
p6180
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)'
p6181
tp6182
sI2061
(S'C([O-])(=O)C1(C([N+])C(O)C=CC=1)'
p6183
S'C(C1(C=CCC(C1[N+])=O))(=O)[O-]'
p6184
tp6185
sI2062
(S'C(C1(=CC=CC=C1O))([O-])=O'
p6186
S'COC(C1(C=CC=CC=1O))=O'
p6187
tp6188
sI2063
(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'
p6189
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'
p6190
tp6191
sI2064
(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+])'
p6192
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'
p6193
tp6194
sI2065
(S'C1(C=CC(=C(C=1)N)S([O-])(=O)=O)'
p6195
S'C1(C=C(C(=C(S(=O)(=O)[O-])C=1)O)O)'
p6196
tp6197
sI2066
(S'C1(N=CC=CC=1C(=O)CCC(N)=O)'
p6198
S'C1(=C(C(CCC(=O)[O-])=O)C=CC=N1)'
p6199
tp6200
sI2067
(S'C[N+](CCOP([O-])([O-])=O)(C)C'
p6201
S'C(CO)[N+](C)(C)C'
p6202
tp6203
sI2068
(S'C=CC3(C(C)C2(C(C1(CCC(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p6204
S'C=CC3(C(C)C2(C(C1(CC(O)C(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p6205
tp6206
sI2069
(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)'
p6207
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))'
p6208
tp6209
sI2070
(S'[CH](=O)CCC(=O)C1(C=CC(O)=NC=1)'
p6210
S'C1(=C(C(CCC(=O)[O-])=O)C=CC(O)=N1)'
p6211
tp6212
sI2071
(S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p6213
S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p6214
tp6215
sI2072
(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))))'
p6216
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))))'
p6217
tp6218
sI2073
(S'C1(=CC(=O)OC(=C(Cl)C(=O)[O-])1)'
p6219
S'C(=O)([O-])C=CC(=O)C(Cl)C(=O)[O-]'
p6220
tp6221
sI2074
(S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CC[PH](=O)[O-])NC(C)=O'
p6222
S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CCP(=O)([O-])C)NC(C)=O'
p6223
tp6224
sI2075
(S'CSCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p6225
S'CSCCCC(=NO)S'
p6226
tp6227
sI2076
(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))))'
p6228
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))))'
p6229
tp6230
sI2077
(S'C(CC([N+])C(=O)[O-])ON'
p6231
S'C(CO)C([N+])C([O-])=O'
p6232
tp6233
sI2078
(S'C(NC=O)C(=[N+])NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p6234
S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p6235
tp6236
sI2079
(S'C(C1(C=CCC2([CH]1NC3(O)(CC=CC(C([O-])=O)C(N=2)3))))(=O)[O-]'
p6237
S'C(C1(C=CCC2([CH]1NC3(CC=CC(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p6238
tp6239
sI2080
(S'CC(=CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p6240
S'CC(O)C1(C=CC(O)=CC=1)'
p6241
tp6242
sI2081
(S'C1(N6([CH](C3(=C(C1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6)))'
p6243
S'C[N+]16([CH](C3(=C(CC1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6))'
p6244
tp6245
sI2082
(S'C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]'
p6246
S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p6247
tp6248
sI2083
(S'CSCCCCC#N=O'
p6249
S'CSCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p6250
tp6251
sI2084
(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))))'
p6252
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))))'
p6253
tp6254
sI2085
(S'C1(OCCCCC1)=O'
p6255
S'C(CCO)CCC(=O)[O-]'
p6256
tp6257
sI2086
(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))'
p6258
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))'
p6259
tp6260
sI2087
(S'CC(=O)NC(C([O-])=O)CC[CH]=O'
p6261
S'CC(=O)NC(C([O-])=O)CCC(=O)OP([O-])(=O)[O-]'
p6262
tp6263
sI2088
(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)'
p6264
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)'
p6265
tp6266
sI2089
(S'CC(C([N+])C([O-])=O)C([O-])=O'
p6267
S'CC(C([O-])=O)=CC([O-])=O'
p6268
tp6269
sI2090
(S'C[N+]1(CCCC1CC(CC(OC)=O)=O)'
p6270
S'C[N+]1(C(O)CCC1CC(CC(OC)=O)=O)'
p6271
tp6272
sI2091
(S'C[N+]34([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC5(C=CC(=C(C(C4)=5)OC)OC))'
p6273
S'C[N+]3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC4(C=CC(=C(C(C=O)=4)OC)OC))'
p6274
tp6275
sI2092
(S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p6276
S'CCC(C)C(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p6277
tp6278
sI2093
(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'
p6279
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'
p6280
tp6281
sI2094
(S'CC1(C=CC=CC=1)'
p6282
S'C(C1(C=CC=CC=1))O'
p6283
tp6284
sI2095
(S'C(C1(C=CC=C(C=1)O))O'
p6285
S'C(C1(C=CC=C(C=1)O))=O'
p6286
tp6287
sI2096
(S'CC=CC3(C(C)(C(O)=C1(C(=O)C(CO)NC(=O)1))[CH]2([CH](CC(C)CC2)C=C3))'
p6288
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))'
p6289
tp6290
sI2097
(S'C1(=C(Cl)C(Cl)(O)C(O)C(Cl)=C(Cl)1)'
p6291
S'C1(C(Cl)=C(O)C([O-])=C(Cl)C(Cl)=1)'
p6292
tp6293
sI2098
(S'COC1(C=C(C=CC=O)C=C(OC)C(O)=1)'
p6294
S'COC1(=CC(=CC(=C1OC2(C(C(C(C(O2)CO)O)O)O))OC)C=CC=O)'
p6295
tp6296
sI2099
(S'C1(=C(C(C=C(Cl)C(Cl)1)Cl)Cl)'
p6297
S'C1(C(Cl)C(Cl)=CC(C(Cl)=1)O)'
p6298
tp6299
sI2100
(S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CCC(=C)3)O)))'
p6300
S'C=C1(CCC(O)CC1=CC=C2(CCCC3(C)([CH](C(CCCC(O)(C)C)C)CC[CH]23)))'
p6301
tp6302
sI2101
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p6303
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p6304
tp6305
sI2102
(S'C(C1(C=CC=CC=1))([O-])=O'
p6306
S'C(=O)(C1(O)(C=CCCC(=O)1))[O-]'
p6307
tp6308
sI2103
(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-])'
p6309
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)'
p6310
tp6311
sI2104
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p6312
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)))'
p6313
tp6314
sI2105
(S'CC3(C)(CC4(C=C(C([O-])=O)C2(C(C1(OC1)OC(=O)C2)(C3)4)))'
p6315
S'CC2(C)(CC3(C=C(C([O-])=O)C1(C(C(=O)COC(=O)C1)(C2)3)))'
p6316
tp6317
sI2106
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(N)N=CN=C23)))'
p6318
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p6319
tp6320
sI2107
(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)))'
p6321
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)))'
p6322
tp6323
sI2108
(S'CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO'
p6324
S'CC(CCCC(CCCC(C)CCCC(C)=CCOP([O-])(=O)[O-])C)C'
p6325
tp6326
sI2109
(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)'
p6327
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)'
p6328
tp6329
sI2110
(S'CC1(=CCCC(=CCC(C=CC1)(C)C)C)'
p6330
S'CC1(CCC=C(C)C(O)C=CC(C)(C)CC=1)'
p6331
tp6332
sI2111
(S'CC1(=CC(Cl)=CC=C(O)1)'
p6333
S'CC1(C(O)=C(O)C=C(Cl)C=1)'
p6334
tp6335
sI2112
(S'CC1(C(=C(C=CC=1)O)C([O-])=O)'
p6336
S'CC1(=CC=CC(=C1)O)'
p6337
tp6338
sI2113
(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))))'
p6339
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)'
p6340
tp6341
sI2114
(S'C(OP([O-])(=O)[O-])C([O-])=O'
p6342
S'C(C(=O)[O-])O'
p6343
tp6344
sI2115
(S'C([N+])CC2(=CNC1(=C(C=CC=C1)2))'
p6345
S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p6346
tp6347
sI2116
(S'C[Se+](C)CCC([N+])C(=O)[O-]'
p6348
S'C[Se+](C)CCC[N+]'
p6349
tp6350
sI2117
(S'C([N+])CS([O-])=O'
p6351
S'C(S(=O)(=O)[O-])C[N+]'
p6352
tp6353
sI2118
(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)))))'
p6354
S'C2(NC1(C(=CC=CC=1)C=2C3(=CC(=NC(=O)3)C4(C5(=C(NC=4)C=CC(O)=C5)))))'
p6355
tp6356
sI2119
(S'CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C'
p6357
S'CC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)NC(CS)C(=O)[O-]'
p6358
tp6359
sI2120
(S'COC2(=CC(O)=CC(C1(C=CC=CC=1))=C2)'
p6360
S'COC2(=C(O)C(O)=CC(C1(C=CC=CC=1))=C2)'
p6361
tp6362
sI2121
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C)CCCC(C)2[CH]3CC4))))'
p6363
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C'
p6364
tp6365
sI2122
(S'C(=O)([O-])C1(O)(CC(=O)C(O)C([N+])C1)'
p6366
S'C([O-])(=O)C1(CC([N+])C(O)C(=O)C=1)'
p6367
tp6368
sI2123
(S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p6369
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p6370
tp6371
sI2124
(S'C12(NC(=O)NC(C=1N=CN2)=O)'
p6372
S'C12(NC(=O)NC=1C(=O)NC(=O)N2)'
p6373
tp6374
sI2125
(S'C1(CCN(C(C(CCNC(N)=[N+])O)C(=O)[O-])1)=O'
p6375
S'C1(CC(=O)N1C(C(=O)[O-])C(O)CC[N+])'
p6376
tp6377
sI2126
(S'C=C(C2(CC1(C(CC(C=C1C)O)C)CC2))C'
p6378
S'C=C(C2(CC1(C(CC(C=C1C)=O)C)CC2))C'
p6379
tp6380
sI2127
(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-]'
p6381
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-]'
p6382
tp6383
sI2128
(S'C1([N+])(C(O)C(O)C(OP([O-])(=O)[O-])C(NC(=[N+])N)C(O)1)'
p6384
S'C(NC1(C(C(C(C(C(O)1)O)OP([O-])([O-])=O)NC(N)=[N+])O))(N)=[N+]'
p6385
tp6386
sI2129
(S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C2(CCCC(C)(C)[CH](CCC(O)(C)1)2)C)'
p6387
S'C=CC1(C)(CCC2(C(C)(O1)CCC3(C(C)2CCCC(C)(C)3)))'
p6388
tp6389
sI2130
(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))))'
p6390
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))))'
p6391
tp6392
sI2131
(S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p6393
S'CC(CO)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p6394
tp6395
sI2132
(S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p6396
S'C2(NC3(=C(C(CC(OC1(C(O)C(O)C(O)OC(CO)1))=O)=2)C=CC=C3))'
p6397
tp6398
sI2133
(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)'
p6399
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)1)'
p6400
tp6401
sI2134
(S'C(C1(C=CC=CC=1))([O-])=O'
p6402
S'C([O-])(=O)C1(O)(C=CC=CC(O)1)'
p6403
tp6404
sI2135
(S'CCC1(C=CC=C(CC)C(N)=1)'
p6405
S'C1(C=CC(N)=CC=1)'
p6406
tp6407
sI2136
(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)))'
p6408
S'COC1(=CC(=CC(OC)=C(O)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C(OC)=2)=3)))'
p6409
tp6410
sI2137
(S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p6411
S'C(=O)NC(C(N)=O)CCC([O-])=O'
p6412
tp6413
sI2138
(S'C1(NC2(C(C(CC=O)=1)=CC(=CC=2)O))'
p6414
S'C(O)(=O)C1(CSC(N1)CC2(=CNC3(C2=CC(O)=CC=3)))'
p6415
tp6416
sI2139
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p6417
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p6418
tp6419
sI2140
(S'CC(=O)C'
p6420
S'CC(=O)OC'
p6421
tp6422
sI2141
(S'CC(=O)CC([N+])C(=O)[O-]'
p6423
S'CC([N+])C([O-])=O'
p6424
tp6425
sI2142
(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))))'
p6426
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))))'
p6427
tp6428
sI2143
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC))'
p6429
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=C3)OC))'
p6430
tp6431
sI2144
(S'CSCCCCCCCC=NO'
p6432
S'CSCCCCCCCC#N=O'
p6433
tp6434
sI2145
(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'
p6435
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'
p6436
tp6437
sI2146
(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))'
p6438
S'COC1(NC(=O)CCCC([N+])C(=O)[O-])(C(=O)N2(C(C(=O)[O-])=C(COC(=O)N)CSC12))'
p6439
tp6440
sI2147
(S'CC1(C2(C(=O)C=C(OC(C=C(O)C=1)=2)CC(=O)C))'
p6441
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))'
p6442
tp6443
sI2148
(S'C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)'
p6444
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'
p6445
tp6446
sI2149
(S'C([O-])(=O)C1(C=CC(=CC=1)S([O-])(=O)=O)'
p6447
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p6448
tp6449
sI2150
(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)'
p6450
S'CC1(OC(O)C(NC(C)=O)C(O)C(NC(C)=O)1)'
p6451
tp6452
sI2151
(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)))))'
p6453
S'C3(=O)(C(=C2(C(=O)NC1(C(=CC=CC=1)2)))C=C(N3)C4(=CNC5(=C4C=CC=C5)))'
p6454
tp6455
sI2152
(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)))'
p6456
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))))'
p6457
tp6458
sI2153
(S'C1(C=C(O)C=C(O)C=1)'
p6459
S'C1(C=C(C(=CC(O)=1)O)O)'
p6460
tp6461
sI2154
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O'
p6462
S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p6463
tp6464
sI2155
(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)'
p6465
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'
p6466
tp6467
sI2156
(S'C2(C=CC(OC1(=CC=CC(O)=C(O)1))=CC=2)'
p6468
S'C([O-])(=O)C(O)=CC=CC(=O)OC1(=CC=CC=C1)'
p6469
tp6470
sI2157
(S'C(C1(C=CC=CC=1))O'
p6471
S'C(=O)C1(=CC=CC=C1)'
p6472
tp6473
sI2158
(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'
p6474
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'
p6475
tp6476
sI2159
(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'
p6477
S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CCC2C(C)3CCC(O)4)CC(C(O)=O)(C)CC5)C))))'
p6478
tp6479
sI2160
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(=O)CO'
p6480
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p6481
tp6482
sI2161
(S'C(C1(=CC=CC(=C1O)O))([O-])=O'
p6483
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)'
p6484
tp6485
sI2162
(S'CN1(C(=O)N(C)C2(=C1C(=O)N(C)C(OC)=N2))'
p6486
S'CN1(C2(=C(NC(=O)1)C(=O)N(C)C(OC)=N2))'
p6487
tp6488
sI2163
(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)'
p6489
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)'
p6490
tp6491
sI2164
(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)))'
p6492
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)))'
p6493
tp6494
sI2165
(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'
p6495
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'
p6496
tp6497
sI2166
(S'C2(C5(=C6(OCOC(=CC(O)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p6498
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p6499
tp6500
sI2167
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)CO'
p6501
S'C(O)C(=O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p6502
tp6503
sI2168
(S'C(C1(OC(O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p6504
S'C(C1(OC(=O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p6505
tp6506
sI2169
(S'CC=CC=CCC=CCCCCCCCC1(C(O)=C(O)C=CC=1)'
p6507
S'CC=CC=CC=CCCCCCCCCC1(=C(O)C(O)=CC(=C1)C(C=CC=CC=CC)CCCCCCCC2(C(O)=C(O)C=CC=2))'
p6508
tp6509
sI2170
(S'C[Se+](C)CCC(=O)[O-]'
p6510
S'C[Se]C'
p6511
tp6512
sI2171
(S'C2(=C(C(=O)C=O)C1(C=CC=CC=1N2))'
p6513
S'C2(=C(C(=O)C(=O)[O-])C1(C=CC=CC=1N2))'
p6514
tp6515
sI2172
(S'CC(=O)C[N+](C)(C)C'
p6516
S'C[N+](C)(CC([O-])=O)C'
p6517
tp6518
sI2173
(S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p6519
S'C1(C(C(C(C(C1O)O)O)O)O)[N+]'
p6520
tp6521
sI2174
(S'C(C1(=CC=CC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p6522
S'C(=O)([O-])C3(C2(=C(NC1(C=CC=CC=1N2))C=CC=3))'
p6523
tp6524
sI2175
(S'CC(C)C(NC(=O)C(NC(=O)CCCC([N+])C(=O)[O-])CS)C(=O)[O-]'
p6525
S'CC1(C)(S[CH]2(C(C(=O)N(C(C(=O)[O-])1)2)NC(=O)CCCC([N+])C(=O)[O-]))'
p6526
tp6527
sI2176
(S'C=C1(CC(C(C([O-])=O)=O)1)'
p6528
S'C=C1(CC1C([N+])C(=O)[O-])'
p6529
tp6530
sI2177
(S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p6531
S'C(=CC(C1(=CC=C(C=C(O)1)O))=O)C2(C=C(C(=CC=2)O)O)'
p6532
tp6533
sI2178
(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))))'
p6534
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))))'
p6535
tp6536
sI2179
(S'C(CO)[N+](C)(C)C'
p6537
S'C[N+](CCOP([O-])([O-])=O)(C)C'
p6538
tp6539
sI2180
(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'
p6540
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))'
p6541
tp6542
sI2181
(S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p6543
S'COC1(=CC(C=CC(=O)[O-])=CC(OC)=C(OC(=O)C(O)CC(=O)[O-])1)'
p6544
tp6545
sI2182
(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))))'
p6546
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))))'
p6547
tp6548
sI2183
(S'CCC=CS(=O)CC([N+])C(=O)[O-]'
p6549
S'CCC=CSO'
p6550
tp6551
sI2184
(S'CSCCCCCC(=O)C([O-])=O'
p6552
S'CSCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p6553
tp6554
sI2185
(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)'
p6555
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)'
p6556
tp6557
sI2186
(S'C(CC([N+])C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p6558
S'C(CC(=O)C(=O)[O-])CC(NC(CCC([O-])=O)=O)C([O-])=O'
p6559
tp6560
sI2187
(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)))))'
p6561
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)))))'
p6562
tp6563
sI2188
(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))))'
p6564
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))))'
p6565
tp6566
sI2189
(S'C6(OC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C5O6))'
p6567
S'C1(C=C6(OCOC(=CC=1C2(OCC3(C(OCC23)C4(=CC5(OCOC(C=C(O)4)=5)))))6))'
p6568
tp6569
sI2190
(S'C([O-])(=O)C(NO)CC1(C=CC=CC=1)'
p6570
S'C([O-])(=O)C(N(O)O)CC1(C=CC=CC=1)'
p6571
tp6572
sI2191
(S'C([O-])(=O)C([N+])CCC=N'
p6573
S'C(CC([N+])C([O-])=O)[CH]=O'
p6574
tp6575
sI2192
(S'CSCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p6576
S'CSCCCCCCCC(=NO)S'
p6577
tp6578
sI2193
(S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)C)C))'
p6579
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)=C)C))'
p6580
tp6581
sI2194
(S'C1(CC=NCC1)'
p6582
S'C(CC[N+])CC(=O)[O-]'
p6583
tp6584
sI2195
(S'C(C1(OC2(C(C1O)OP(O2)([O-])=O)))OP([O-])([O-])=O'
p6585
S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p6586
tp6587
sI2196
(S'COC1(C(O)=CC(=CC=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p6588
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)))'
p6589
tp6590
sI2197
(S'CP([O-])(=O)O'
p6591
S'CP([O-])(=O)OC1(C(C(C(O1)COP(OP(=O)([O-])OP(=O)([O-])[O-])([O-])=O)O)O)'
p6592
tp6593
sI2198
(S'C[C-]1(C(=O)C(OC)=C(C)O1)'
p6594
S'CC1(=C(O)C(OC)=C(C)O1)'
p6595
tp6596
sI2199
(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))))'
p6597
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))))'
p6598
tp6599
sI2200
(S'C(C([N+])CC2(CCC(O)C1(OC12)))([O-])=O'
p6600
S'C(C([N+])CC2(CCC(=O)C1(OC12)))([O-])=O'
p6601
tp6602
sI2201
(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)'
p6603
S'CC1(N=CSC(CCOP([O-])(=O)[O-])=1)'
p6604
tp6605
sI2202
(S'C([N+])COC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C(=O)[O-])[N+]'
p6606
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)'
p6607
tp6608
sI2203
(S'C=C(O)[CH]=O'
p6609
S'CC([CH]=O)=O'
p6610
tp6611
sI2204
(S'C1(NC(=O)CCCC1)'
p6612
S'C(CCCCC(=O)[O-])[N+]'
p6613
tp6614
sI2205
(S'C([O-])(=O)C(=O)CC[PH]([O-])=O'
p6615
S'C([O-])(=O)C([N+])CC[PH](=O)[O-]'
p6616
tp6617
sI2206
(S'CC(C1(C=CC(C)=CC=1))C'
p6618
S'CC(C1(C=CC(CO)=CC=1))C'
p6619
tp6620
sI2207
(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'
p6621
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'
p6622
tp6623
sI2208
(S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CC(O)C2=C3)C)C))C'
p6624
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)O)C))C'
p6625
tp6626
sI2209
(S'C=CCSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p6627
S'C=CCSCC([N+])C([O-])=O'
p6628
tp6629
sI2210
(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'
p6630
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'
p6631
tp6632
sI2211
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p6633
S'C(OP([O-])(=O)[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p6634
tp6635
sI2212
(S'CC(=CCO)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p6636
S'CC(=CC(=O)[O-])C=CC1(O)(C(C)(C)CC(=O)C=C(C)1)'
p6637
tp6638
sI2213
(S'C(O)C(O)C(O)C(=O)CO'
p6639
S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CO'
p6640
tp6641
sI2214
(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))))'
p6642
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))'
p6643
tp6644
sI2215
(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)'
p6645
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)'
p6646
tp6647
sI2216
(S'[Se--]'
p6648
S'[O-]P([O-])(O)=[Se]'
p6649
tp6650
sI2217
(S'C(CO)C([O-])=O'
p6651
S'[CH](=O)CC([O-])=O'
p6652
tp6653
sI2218
(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)))'
p6654
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)))'
p6655
tp6656
sI2219
(S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p6657
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])[O-])O2))'
p6658
tp6659
sI2220
(S'C(CCC(C(=O)[O-])[N+])(NC1(=CC=CC=C1))=O'
p6660
S'C(CCC(C(=O)[O-])[N+])(NC1(O)(C(O)C=CC=C1))=O'
p6661
tp6662
sI2221
(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)))'
p6663
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)'
p6664
tp6665
sI2222
(S'C([N+])CCCC[N+]'
p6666
S'C4(CCCC3(C1(CC(C2(CCCCN(C1=O)2))C[N+]34)))'
p6667
tp6668
sI2223
(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)))'
p6669
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p6670
tp6671
sI2224
(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))))'
p6672
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)'
p6673
tp6674
sI2225
(S'C(C[N+])CC=O'
p6675
S'C1(CC[N+]=C1)'
p6676
tp6677
sI2226
(S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p6678
S'CC(=CC([O-])=O)C=CC1(O)(C(CO)(C)CC(=O)C=C(C)1)'
p6679
tp6680
sI2227
(S'CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C'
p6681
S'CC(=CCC1(=C(C=C(C(=C1O)C(CC(C)C)=O)O)[O-]))C'
p6682
tp6683
sI2228
(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'
p6684
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'
p6685
tp6686
sI2229
(S'C([O-])(=O)C(=O)CC1(CCC=CC=1)'
p6687
S'C([O-])(=O)C(=O)C[CH]1(CCCC=C1)'
p6688
tp6689
sI2230
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C(C(=O)[O-])=CC(=O)NC(=O)2))'
p6690
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p6691
tp6692
sI2231
(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))'
p6693
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))'
p6694
tp6695
sI2232
(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)'
p6696
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)'
p6697
tp6698
sI2233
(S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(O)C(=C2)3)=O)C))C'
p6699
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(=O)C(=C2)3)=O)C))C'
p6700
tp6701
sI2234
(S'C(O)CC1(=CNC2(=C1C=C(O)C=C2))'
p6702
S'C(O)CC1(=CNC3(=C1C=C(OC2(OC(C(=O)O)C(O)C(O)C(O)2))C=C3))'
p6703
tp6704
sI2235
(S'CS(=O)C'
p6705
S'CS(=O)(=O)C'
p6706
tp6707
sI2236
(S'CCCCCC=CCC=CCC=CC=CC(OO)CCCC([O-])=O'
p6708
S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p6709
tp6710
sI2237
(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)'
p6711
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))))'
p6712
tp6713
sI2238
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p6714
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))'
p6715
tp6716
sI2239
(S'C1(NC=C(Cl)C=1C2(C(N)=C(Cl)C=CC=2))'
p6717
S'C1(NC=C(Cl)C=1C2(C([N+](=O)[O-])=C(Cl)C=CC=2))'
p6718
tp6719
sI2240
(S'CCCC(CCCC=O)=O'
p6720
S'CCCC(CCCC[N+])=O'
p6721
tp6722
sI2241
(S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p6723
S'CCCCCC(O)C(O)C=CC=CC=CC=CC(O)CCCC(=O)[O-]'
p6724
tp6725
sI2242
(S'COC1(=C(O)C=CC(C(O)CO)=C1)'
p6726
S'COC1(=C(O)C=CC(C(O)C=O)=C1)'
p6727
tp6728
sI2243
(S'CC(=CC(=O)[O-])C(=O)[O-]'
p6729
S'CC(C(=O)[O-])C(O)C([O-])=O'
p6730
tp6731
sI2244
(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'
p6732
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'
p6733
tp6734
sI2245
(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)'
p6735
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)'
p6736
tp6737
sI2246
(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)'
p6738
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)'
p6739
tp6740
sI2247
(S'C(=O)([O-])C1(=C(C(=O)[O-])C(O)C(O)C=C1)'
p6741
S'C([O-])(=O)C1(C=CC(=C(C=1C([O-])=O)O)O)'
p6742
tp6743
sI2248
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p6744
S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p6745
tp6746
sI2249
(S'C1(NC(CCN1)=O)=O'
p6747
S'C(NC(=O)N)CC([O-])=O'
p6748
tp6749
sI2250
(S'CC([N+])CO'
p6750
S'CC[CH]=O'
p6751
tp6752
sI2251
(S'C(=O)([O-])C(O)CS([O-])(=O)=O'
p6753
S'C(=O)([O-])C(=O)CS(=O)(=O)[O-]'
p6754
tp6755
sI2252
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p6756
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p6757
tp6758
sI2253
(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))))))'
p6759
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))))))'
p6760
tp6761
sI2254
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p6762
S'C[N+]2(=CC([CH]1(CCC(=O)N(C)1))=CC=C2)'
p6763
tp6764
sI2255
(S'C(C1(C(=CC=CC=1)NO))(=O)[O-]'
p6765
S'C1(C=C(C(N)=C(O)C=1)C([O-])=O)'
p6766
tp6767
sI2256
(S'C(C(=O)[O-])C(O)C(O)C(O)C=O'
p6768
S'C(=O)([O-])CC(O)C(O)C(=O)CO'
p6769
tp6770
sI2257
(S'C([O-])(=O)C(O)C(O)C(O)CO'
p6771
S'C(O)C(O)CC(=O)C(=O)[O-]'
p6772
tp6773
sI2258
(S'C([O-])(=O)C([N+])C[CH]1(CCCC=C1)'
p6774
S'CC23(C(C(NC(C(O)[CH]1(C=CCCC1))(C(=O)O2)3)=O)CCCl)'
p6775
tp6776
sI2259
(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)'
p6777
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)'
p6778
tp6779
sI2260
(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)'
p6780
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(C1(C=CC(N)=CC=1))O2)'
p6781
tp6782
sI2261
(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'
p6783
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'
p6784
tp6785
sI2262
(S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CCC3=CC(=O)CC4))'
p6786
S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(CO)([CH]2CC3)CCC(=O)C=4)))'
p6787
tp6788
sI2263
(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)'
p6789
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)'
p6790
tp6791
sI2264
(S'C2(C=CC3(SC1(C=CC=CC=1C(C=2)=3)))'
p6792
S'C3(C=CC2(=C(C1(C=CC=CC=1S2=O))C=3))'
p6793
tp6794
sI2265
(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))))))))'
p6795
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)))))))))'
p6796
tp6797
sI2266
(S'C=CCC1(C=CC(=CC=1)O)'
p6798
S'C=CCC1(C=CC(=CC=1)OC)'
p6799
tp6800
sI2267
(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'
p6801
S'CC(C=CC=C(C=CC=O)C)=CC=CC=C(C=CC=C(C=CC=O)C)C'
p6802
tp6803
sI2268
(S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C1(=CC(CCO)NC(=O)1))C)C'
p6804
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(CCO)NC(=O)1)2))C)C'
p6805
tp6806
sI2269
(S'CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p6807
S'CC(C)=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C'
p6808
tp6809
sI2270
(S'CC(=O)C2(=C(CC(O)CC([O-])=O)CC1(C=CC=C(O)C=1C(=O)2))'
p6810
S'CC2(O)(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p6811
tp6812
sI2271
(S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)O))'
p6813
S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p6814
tp6815
sI2272
(S'C(OP(=O)([O-])[O-])C1(OC(O)C([N+])C(O)C(O)1)'
p6816
S'C(C1(OC(C(C1O)O)(O)CO))OP([O-])([O-])=O'
p6817
tp6818
sI2273
(S'C([N+])CC[N+]CCCC[N+]'
p6819
S'C([N+])CC[N+]=CCCC[N+]'
p6820
tp6821
sI2274
(S'C1(C=CC2(OC(C(N(C(C=1)=2)[O-])=O)O))'
p6822
S'C1(C=C3(C(=CC=1)OC(OC2(OC(CO)C(O)C(O)C(O)2))C(=O)N(O)3))'
p6823
tp6824
sI2275
(S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C([N+])C(O)C(O)1))2)=O)'
p6825
S'C2(=CC(N)=NC(N(C1(OC(C([O-])=O)C([N+])C=C1))2)=O)'
p6826
tp6827
sI2276
(S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))O'
p6828
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O)))O'
p6829
tp6830
sI2277
(S'C(CCCCCCCCCC(=O)[O-])CCCCCCCCC1(=CC=C(O)C=C1)'
p6831
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'
p6832
tp6833
sI2278
(S'C1(O[CH]2(C([CH]1OC(C(O)2)O)O))'
p6834
S'[CH](=O)C(O)[CH]1(OCC(O)C(O)1)'
p6835
tp6836
sI2279
(S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p6837
S'[CH](=O)CC1(=CC=CC=C1)'
p6838
tp6839
sI2280
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p6840
S'C2(OC1(C=C(C(O)=CC=1C=C2)OC))(=O)'
p6841
tp6842
sI2281
(S'C(O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p6843
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)'
p6844
tp6845
sI2282
(S'CC(C=O)C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p6846
S'CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p6847
tp6848
sI2283
(S'CC(C)=CCCC(=CCCC(C)=CCCC=C(CCC=C(C)CCC(C)C(=C)C)C)C'
p6849
S'C=C(C)C(C)CCC(=CCCC(C)=CCCC=C(CCC=C(C)CCC(C)C(=C)C)C)C'
p6850
tp6851
sI2284
(S'CC1(C[N+]C(C(=O)[O-])C1)'
p6852
S'CC1(C[N+]C(C(=O)[O-])C(O)1)'
p6853
tp6854
sI2285
(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))))'
p6855
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))))'
p6856
tp6857
sI2286
(S'CCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O'
p6858
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'
p6859
tp6860
sI2287
(S'C(S(=O)(=O)[O-])C[N+]'
p6861
S'C([N+])[CH]=O'
p6862
tp6863
sI2288
(S'COC1(C=C(C=CCO)C=C(OC)C(O)=1)'
p6864
S'COC1(=CC(=CC(=C1OC2(C(C(C(C(O2)CO)O)O)O))OC)C=CCO)'
p6865
tp6866
sI2289
(S'[CH](=O)CS([O-])(=O)=O'
p6867
S'C([O-])(=O)CS(=O)(=O)[O-]'
p6868
tp6869
sI2290
(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)'
p6870
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))'
p6871
tp6872
sI2291
(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))'
p6873
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))))))'
p6874
tp6875
sI2292
(S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p6876
S'C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)'
p6877
tp6878
sI2293
(S'CSCCCCCCC#N=O'
p6879
S'CSCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p6880
tp6881
sI2294
(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'
p6882
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'
p6883
tp6884
sI2295
(S'C1(=C(C=CC(=C1)O)C2(OC3(C(C(C2O)=O)=C(O)C=C(O)C=3)))'
p6885
S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p6886
tp6887
sI2296
(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'
p6888
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'
p6889
tp6890
sI2297
(S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p6891
S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p6892
tp6893
sI2298
(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)'
p6894
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)'
p6895
tp6896
sI2299
(S'CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCCC(=O)[O-]'
p6897
S'CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCCC(=O)[O-]'
p6898
tp6899
sI2300
(S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p6900
S'CC4(C3(CCC2(C1(CCCC(C1CCC2(C3)C=4)(C)C)C)))'
p6901
tp6902
sI2301
(S'C[S+](C)CCC(C([O-])=O)O'
p6903
S'C[S+](C)CCC(=O)[O-]'
p6904
tp6905
sI2302
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C'
p6906
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=C(C(O)=C1C)O)O))C)C)C)C)C)C'
p6907
tp6908
sI2303
(S'CC1(CCC(O)(C)C=C1)C3(C)(CC(O)C(O)C2(OC2)3)'
p6909
S'CC2(CCC1(C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p6910
tp6911
sI2304
(S'C1(C=CC(=CC=1)C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p6912
S'C1(=CC=C(C=C1)C(=O)CC(=O)C2(=C(O)C=C(O)C=C(O)2))'
p6913
tp6914
sI2305
(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)))'
p6915
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)'
p6916
tp6917
sI2306
(S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))CO'
p6918
S'CC(=CCNC2(=NC=NC1(=C(N=CN(CC([N+])C(=O)[O-])1)2)))CO'
p6919
tp6920
sI2307
(S'C(=O)([O-])CC(O)C(O)C(=O)CO'
p6921
S'C(=O)([O-])CC(O)C(O)C(=O)COP([O-])(=O)[O-]'
p6922
tp6923
sI2308
(S'C(C([CH]1(C(C(C(O1)=O)O)O))O)O'
p6924
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p6925
tp6926
sI2309
(S'C(CCC(C([O-])=O)O)([O-])=O'
p6927
S'CC([O-])=O'
p6928
tp6929
sI2310
(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)'
p6930
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)'
p6931
tp6932
sI2311
(S'CC1(CC([O-])=O)(C=CC(=O)O1)'
p6933
S'CC(C=CC([O-])=O)=CC([O-])=O'
p6934
tp6935
sI2312
(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)'
p6936
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))'
p6937
tp6938
sI2313
(S'C(C1(C(O)=CC=CC=1O))(=O)[O-]'
p6939
S'C1(C=C(O)C=C(O)C=1)'
p6940
tp6941
sI2314
(S'C(CP([O-])(O)=O)O'
p6942
S'CC(O)CP(O)(=O)[O-]'
p6943
tp6944
sI2315
(S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC=C(O)C=C2))'
p6945
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=CC(O)=CC=2))'
p6946
tp6947
sI2316
(S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p6948
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+]))'
p6949
tp6950
sI2317
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(=C(O)N=CN=C23)))'
p6951
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p6952
tp6953
sI2318
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p6954
S'COC1(C(=CC=C(C=1)C=CC(=O)NCCC3(C2(C=C(O)C=CC=2NC=3)))O)'
p6955
tp6956
sI2319
(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))'
p6957
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))'
p6958
tp6959
sI2320
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C'
p6960
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C'
p6961
tp6962
sI2321
(S'CC1(=C([O-])C(=O)CO1)'
p6963
S'CC=C1(C(=O)C([O-])=C(C)O1)'
p6964
tp6965
sI2322
(S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p6966
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))'
p6967
tp6968
sI2323
(S'CCC=CCC(O)C=CC=CC=CC=CC1(OC(CC=CCCC(=O)[O-])1)'
p6969
S'CCC=CCC(O)C(O)C=CC=CC=CC=CC(O)CC=CCCC(=O)[O-]'
p6970
tp6971
sI2324
(S'CC1(CCC(C)(C(O)C=1)C3(C)(CCC(O)C2(OC2)3))'
p6972
S'CC2(CCC1(C)(C4(CCC(OC1C=2)C3(OC3)4)(C)))'
p6973
tp6974
sI2325
(S'CCC(C(C)=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p6975
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))))'
p6976
tp6977
sI2326
(S'CC(CC([N+])C([O-])=O)C(O)O'
p6978
S'CC1(C=NC(C(=O)[O-])C1)'
p6979
tp6980
sI2327
(S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p6981
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p6982
tp6983
sI2328
(S'CC(C(C([O-])=O)=O)C'
p6984
S'CC(C(=O)C([O-])=O)(CO)C'
p6985
tp6986
sI2329
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p6987
S'CC(=O)C1(O)(CC[CH]3(C(C)1CC[CH]4(C2(C)(CCC(=O)C=C2CC[CH]34))))'
p6988
tp6989
sI2330
(S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p6990
S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p6991
tp6992
sI2331
(S'CC(C)C1(CCC3(C)(C=1CCC(C)[CH]2(CCC(C)=C2C3)))'
p6993
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C)=C2C3)))'
p6994
tp6995
sI2332
(S'C(S(=O)(=O)[O-])C[N+]'
p6996
S'[CH](=O)CS([O-])(=O)=O'
p6997
tp6998
sI2333
(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'
p6999
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))'
p7000
tp7001
sI2334
(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)))'
p7002
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)'
p7003
tp7004
sI2335
(S'CC1(=C(Cl)C(=O)OC(C(Cl)C([O-])=O)1)'
p7005
S'CC(=C(C([O-])=O)Cl)C=C(C([O-])=O)Cl'
p7006
tp7007
sI2336
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C'
p7008
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(CO)C(O)CC3)))CC4)))C'
p7009
tp7010
sI2337
(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)))'
p7011
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)))'
p7012
tp7013
sI2338
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O'
p7014
S'C(OP([O-])(=O)[O-])C(C(C(C(C([O-])=O)=O)O)O)O'
p7015
tp7016
sI2339
(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))'
p7017
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))'
p7018
tp7019
sI2340
(S'C=C[CH]4([CH](C[CH]3(C2(NC1(C=CC=CC=1C=2CC[N+]3))))C(C(=O)OC)=COC4O)'
p7020
S'C[CH]=C3(C=[N+]2(CCC4(C1(C=CC=CC=1NC([CH]2C[CH]3C(=CO)C(=O)OC)=4))))'
p7021
tp7022
sI2341
(S'C(O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p7023
S'C(CCCCCCCC1(C(CCCCCCCC(=O)[O-])O1))O'
p7024
tp7025
sI2342
(S'CC(C)(CO)C(C([O-])=O)O'
p7026
S'CC(C)(COP([O-])(=O)[O-])C(C([O-])=O)O'
p7027
tp7028
sI2343
(S'C=CC(C)(C=CC(C)CCC=C(C)CCC(C(=C)C)C)CCC=C(C)CCC(C)C(=C)C'
p7029
S'C=CC(C)(C=CC(C)CCC(C)C(=C)CCC(C)C(=C)C)CCC=C(C)CCC(C)C(=C)C'
p7030
tp7031
sI2344
(S'CN3([CH](C1(C(=CC2(OCOC(C(OC)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p7032
S'COC2(C(OC)=C1(C(O)O[CH](C1=CC=2)[CH]5(C4(=C(OC)C3(OCOC=3C=C4CCN(C)5)))))'
p7033
tp7034
sI2345
(S'CC1(=CCCC(C)=CC(O)C(C(C(=O)[O-])=C)CC1)'
p7035
S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p7036
tp7037
sI2346
(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))'
p7038
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)'
p7039
tp7040
sI2347
(S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p7041
S'C(OP([O-])(=O)[O-])C(O)C(O)C(=O)CO'
p7042
tp7043
sI2348
(S'CC(C(C(=O)[O-])NO)C'
p7044
S'CC(C)C(N(O)O)C([O-])=O'
p7045
tp7046
sI2349
(S'COC1(=C(O)C=CC(C(O)C=O)=C1)'
p7047
S'COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])'
p7048
tp7049
sI2350
(S'C1(C=CC2(NC(=O)C(O)C(C=1)=2))'
p7050
S'C1(C=CC2(NC(=O)C(=O)C(C=1)=2))'
p7051
tp7052
sI2351
(S'C(C1(C=CC=CC=1))([O-])=O'
p7053
S'COC(C1(C=CC=CC=1))=O'
p7054
tp7055
sI2352
(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'
p7056
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'
p7057
tp7058
sI2353
(S'C1(C=CC(=CC=1)CC(=NO)[S-])'
p7059
S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NO)O2)'
p7060
tp7061
sI2354
(S'C1(C=CC(=CC=1)CC(=NOS(=O)(=O)[O-])[S-])'
p7062
S'C(C1(C=CC=CC=1))SC#N'
p7063
tp7064
sI2355
(S'C(O)C1(OC(=O)C(=O)OC(C(=O)[O-])1)'
p7065
S'C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1)'
p7066
tp7067
sI2356
(S'COC3(C2(=C(C(=O)C=C(C1(C=CC=CC=1))O2)C(O)=CC(O)=3))'
p7068
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))'
p7069
tp7070
sI2357
(S'CC(=O)CC1(=CC2(C=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p7071
S'CC(=O)CC1(=CC2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p7072
tp7073
sI2358
(S'C1(C=CC2(NC(=O)C(O)C(C=1)=2))'
p7074
S'C1(C=CC2(OC(C(NC(C=1)=2)=O)O))'
p7075
tp7076
sI2359
(S'C(CCCCC(=O)[O-])[N+]'
p7077
S'C(CC=O)CCC(=O)[O-]'
p7078
tp7079
sI2360
(S'C(O)C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p7080
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p7081
tp7082
sI2361
(S'C(SO)C1(=CC=CC=C1)'
p7083
S'C(=[S+][O-])C1(=CC=CC=C1)'
p7084
tp7085
sI2362
(S'CC1(=C(OC(C1)=O)CC(=O)[O-])'
p7086
S'CC(C(=O)CC(=O)[O-])CC(=O)[O-]'
p7087
tp7088
sI2363
(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)))'
p7089
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)'
p7090
tp7091
sI2364
(S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p7092
S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p7093
tp7094
sI2365
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p7095
S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p7096
tp7097
sI2366
(S'C(O)C(=O)C(O)C(O)C(O)CO'
p7098
S'[CH](=O)C(C(C(C(CO)O)O)O)=O'
p7099
tp7100
sI2367
(S'CC1(C=CC(=CC=1)NO)'
p7101
S'CC1(=CC=C(N)C(O)=C1)'
p7102
tp7103
sI2368
(S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(O)4)=CC=C(OC)5))))'
p7104
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)O)O))(CC5))))'
p7105
tp7106
sI2369
(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)'
p7107
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(O)1)'
p7108
tp7109
sI2370
(S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p7110
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=CC(O)=CC=2))'
p7111
tp7112
sI2371
(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'
p7113
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'
p7114
tp7115
sI2372
(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)))))'
p7116
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)))))'
p7117
tp7118
sI2373
(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)'
p7119
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)'
p7120
tp7121
sI2374
(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))))'
p7122
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))))'
p7123
tp7124
sI2375
(S'CC(C)=CCCC(C)=CCCC(C)=CCC12(OC(C)1N(C3(C=CC=CC(C2=O)=3))O)'
p7125
S'CC(C)=CCCC(C)=CCCC(C)=CCC2(O)(C(C1(C=CC=CC=1[N+](=C(C)2)[O-]))=O)'
p7126
tp7127
sI2376
(S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(O)CC3(C=CC=CC=3)))'
p7128
S'C[N+]1(C2(CC(CC1CC2)OC(=O)C(CO)C3(=CC=CC=C3)))'
p7129
tp7130
sI2377
(S'C1(=CC=C(C([O-])=O)C=N1)'
p7131
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p7132
tp7133
sI2378
(S'CC=C4([CH]3(C5(C(OC(C)=O)C26(C1(C(=CC=CC=1)N=C2[CH](C3)N(C4)[CH]5C6)))))'
p7134
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)))))'
p7135
tp7136
sI2379
(S'CC1(=CC(Cl)=CC(O)C(O)1)'
p7137
S'CC1(C(O)=C(O)C=C(Cl)C=1)'
p7138
tp7139
sI2380
(S'CC1(C=C(O)C(C)=C(O)C([CH]=O)=1)'
p7140
S'CC1(=CC(=O)C(O)(C)C(=O)C(=CO)1)'
p7141
tp7142
sI2381
(S'C(C3(=C2(NC1(=CC=CC=C1N=C2C=CC3=O))))([O-])=O'
p7143
S'C1(=CC=C2(NC3(=CC(C=CC(=NC(=C1)2)3)=O)))'
p7144
tp7145
sI2382
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p7146
S'CC(=O)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p7147
tp7148
sI2383
(S'C=C(C(C)C(=O)[O-])C(=O)[O-]'
p7149
S'CC(=C(C)C(=O)[O-])C(=O)[O-]'
p7150
tp7151
sI2384
(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'
p7152
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'
p7153
tp7154
sI2385
(S'C(=O)([O-])C(O)CO'
p7155
S'C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p7156
tp7157
sI2386
(S'C3(C=CC(C2(OC1(=CC(=CC(=C1C(C2)=O)O)[O-])))=CC=3)'
p7158
S'C1(C=CC(=CC=1)C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p7159
tp7160
sI2387
(S'C[N+]CCCC(=O)C1(=CC=C(O)N=C1)'
p7161
S'C[N+]CCCC(=O)C1(=CC=C(O)N=C(O)1)'
p7162
tp7163
sI2388
(S'CC(C=CC(C(=O)[O-])=O)C([O-])=O'
p7164
S'CCC=CC(C(=O)[O-])=O'
p7165
tp7166
sI2389
(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)'
p7167
S'[As](O)([O-])O'
p7168
tp7169
sI2390
(S'C1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p7170
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p7171
tp7172
sI2391
(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)))'
p7173
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)'
p7174
tp7175
sI2392
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p7176
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C)=CC3)))'
p7177
tp7178
sI2393
(S'C(=O)(N)N'
p7179
S'C(N)(NC([O-])=O)=O'
p7180
tp7181
sI2394
(S'CC([N+])C(=O)NC(CCC(=O)NC(C([O-])=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p7182
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)'
p7183
tp7184
sI2395
(S'C([O-])(=O)CCCNC(=[N+])N'
p7185
S'C(C[N+])CC([O-])=O'
p7186
tp7187
sI2396
(S'C(C1(=CC=CC=C1O))([O-])=O'
p7188
S'C1(C=CC(=C(C=1)O)O)'
p7189
tp7190
sI2397
(S'CSCCC(C([O-])=O)=O'
p7191
S'CSCCC(CC([O-])=O)(O)C(=O)[O-]'
p7192
tp7193
sI2398
(S'C(CO)[N+](C)(C)C'
p7194
S'C[N+](C)(CC(O)O)C'
p7195
tp7196
sI2399
(S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p7197
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'
p7198
tp7199
sI2400
(S'CCC=CC[CH]=O'
p7200
S'CCC=CCCO'
p7201
tp7202
sI2401
(S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p7203
S'C=CC1(CC[CH]2(C3(CCCC(C)(C)[CH](CCC(=C1)2)3)C))C'
p7204
tp7205
sI2402
(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)'
p7206
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)'
p7207
tp7208
sI2403
(S'CC1(=NC(=C(CNC=O)C=N1)N)'
p7209
S'CC1(=NC(=C(C[N+])C=N1)N)'
p7210
tp7211
sI2404
(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))'
p7212
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))'
p7213
tp7214
sI2405
(S'C(C(C1(C=CC(=CC=1)O))OC2(OC(C(C(C2O)O)O)CO))#N'
p7215
S'C1(C=C(O)C=CC=1C(O)C#N)'
p7216
tp7217
sI2406
(S'CSCCC(C([O-])=CO)=O'
p7218
S'CSCCC([O-])=O'
p7219
tp7220
sI2407
(S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(CC4(=CNC=N4))NC(=O)5))'
p7221
S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p7222
tp7223
sI2408
(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'
p7224
S'CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p7225
tp7226
sI2409
(S'C(CC(CCCSC)(O)C(=O)[O-])(=O)[O-]'
p7227
S'C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]'
p7228
tp7229
sI2410
(S'C12(NC(=O)NC=1C(=O)NC(=O)N2)'
p7230
S'C2(C1(O)(NC(=O)NC1=NC(=O)N2))(=O)'
p7231
tp7232
sI2411
(S'C(O)[CH]=O'
p7233
S'C(C(=O)[O-])O'
p7234
tp7235
sI2412
(S'CSCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p7236
S'CSCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p7237
tp7238
sI2413
(S'COC1(=CC(=CC=C(O)1)C(=O)[O-])'
p7239
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C'
p7240
tp7241
sI2414
(S'C([O-])(=O)C1(C2(N=C3(CC=CC([CH](NC(C=CC=1)=2)3)C(=O)[O-])))'
p7242
S'C(C1(=CC=CC2([CH]1NC3(C=CC=C(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p7243
tp7244
sI2415
(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)'
p7245
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'
p7246
tp7247
sI2416
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p7248
S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p7249
tp7250
sI2417
(S'C(CP([O-])(O)=O)O'
p7251
S'C(C(O)P([O-])(=O)O)O'
p7252
tp7253
sI2418
(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'
p7254
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'
p7255
tp7256
sI2419
(S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)O))C'
p7257
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'
p7258
tp7259
sI2420
(S'C1(C=CC(O)=C(C=O)C=1)'
p7260
S'C(C1(C=CC=CC=1O))O'
p7261
tp7262
sI2421
(S'CC1(C([N+])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p7263
S'CC2(C(NC1(OC(CO)C(O)C(O)C(O)1))=CC([N+](=O)[O-])=CC([N+](=O)[O-])=2)'
p7264
tp7265
sI2422
(S'CCCCCC(O)CCCCCC(O)CC1(OC(=O)C=C([O-])C=1)'
p7266
S'CCCCCC(O)CCCCCC(=O)CC1(OC(=O)C=C([O-])C=1)'
p7267
tp7268
sI2423
(S'CC1(CCC(C(O)(C)C)C=CC(C)CCC=1)'
p7269
S'CC2(C1(C=CCCC(C)1CCC2))'
p7270
tp7271
sI2424
(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))))'
p7272
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)'
p7273
tp7274
sI2425
(S'O=S(=O)([O-])S'
p7275
S'O=S(=O)([O-])SSS(=O)(=O)[O-]'
p7276
tp7277
sI2426
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(NC=N2)=O)C(=C3)C#N)))'
p7278
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)))'
p7279
tp7280
sI2427
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p7281
S'C1(C=C(O)C=CC=1C3(C(C2(C(=CC(O)=CC(O)=2)OC(O)3))=O))'
p7282
tp7283
sI2428
(S'CC([N+])CO'
p7284
S'CC(C=O)[N+]'
p7285
tp7286
sI2429
(S'CCCCCCCCC1(C(CCCCCCCC(=O)[O-])O1)'
p7287
S'C(CCCCCCCC1(C(CCCCCCCC(=O)[O-])O1))O'
p7288
tp7289
sI2430
(S'C(O)C1(=C(O)C=CC(O)=C1)'
p7290
S'[CH](=O)C1(=CC(=CC=C(O)1)O)'
p7291
tp7292
sI2431
(S'C(=O)([O-])C([N+])C[N+]'
p7293
S'C(NC(N)=O)C(C([O-])=O)[N+]'
p7294
tp7295
sI2432
(S'C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O'
p7296
S'COC1(C(O)=CC=C(C=1)C(O)C(=O)[O-])'
p7297
tp7298
sI2433
(S'CC1(=NC=C(C(=C1O)CO)CO)'
p7299
S'CC1(=NC=C(COP([O-])(=O)[O-])C(=C(O)1)CO)'
p7300
tp7301
sI2434
(S'C([N+])CCCC([N+])C([O-])=O'
p7302
S'C(CC(=O)C(=O)[O-])CC[N+]'
p7303
tp7304
sI2435
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C=O)))'
p7305
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(C(O)CCC(C)([CH](CC2)3)4)C(=O)[O-]))C=O)))'
p7306
tp7307
sI2436
(S'COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)'
p7308
S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p7309
tp7310
sI2437
(S'C(CCNO)[N+]'
p7311
S'CC(N(O)CCC[N+])=O'
p7312
tp7313
sI2438
(S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p7314
S'CCCCCC=CCC=CC=CC=C[CH]1(O[CH]1CCCC(=O)[O-])'
p7315
tp7316
sI2439
(S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p7317
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p7318
tp7319
sI2440
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O'
p7320
S'C(=O)([O-])C(=O)CC(O)C(O)COP([O-])(=O)[O-]'
p7321
tp7322
sI2441
(S'CC(C)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p7323
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)))))'
p7324
tp7325
sI2442
(S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p7326
S'C(=O)([O-])C(=O)CC1(C=CC(O)CC=1)'
p7327
tp7328
sI2443
(S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)C(O)1)'
p7329
S'C1(O)(C(O)C(O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p7330
tp7331
sI2444
(S'CC3(C=C(C1(=C(C(C2(=C(C(=O)1)C(=CC(=C2)[O-])OC))=O)C=3))O)'
p7332
S'CC2(=CC(=C(C(=O)C1(C(C([O-])=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p7333
tp7334
sI2445
(S'CCC=CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCC(=O)[O-]'
p7335
S'CCC=CCC(O)C=CC=CCC=CC=CC=CC1(OC1CCC(=O)[O-])'
p7336
tp7337
sI2446
(S'C([O-])(=O)C([N+])C(O)C(=O)C1(=C(N)C=CC=C1)'
p7338
S'C(=O)([O-])C(O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p7339
tp7340
sI2447
(S'C(OP([O-])(=O)[O-])C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O'
p7341
S'C(O)C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O'
p7342
tp7343
sI2448
(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)))'
p7344
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)))'
p7345
tp7346
sI2449
(S'C(C=CC1(=C(C=CC=C1)O))([O-])=O'
p7347
S'C(C2(OC(OC1(C=CC=CC=1C=CC([O-])=O))C(C(C2O)O)O))O'
p7348
tp7349
sI2450
(S'CC1(C(OC(Cl)(C=1)C(C([O-])=O)Cl)=O)'
p7350
S'CC(C([O-])=O)=CC(Cl)=C(C([O-])=O)Cl'
p7351
tp7352
sI2451
(S'C1(C=C(O)C=CC=1C(O)[CH]2(OC3(C(C(=O)2)=CC=C(C=3)O)))'
p7353
S'C1(C=C(O)C=CC=1[CH]=C2(C(=O)C3(C(O2)=CC(O)=CC=3)))'
p7354
tp7355
sI2452
(S'CC2(C(C(C)O)=NC1(C(=O)NC(N)=NC=1N2))'
p7356
S'CC2(C(C(C)OP(=O)([O-])OP(=O)([O-])[O-])=NC1(C(=O)NC(N)=NC=1N2))'
p7357
tp7358
sI2453
(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'
p7359
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'
p7360
tp7361
sI2454
(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)'
p7362
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)'
p7363
tp7364
sI2455
(S'C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)'
p7365
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)'
p7366
tp7367
sI2456
(S'C2(OC1(=CC(=C(O)C=C1O2)[CH]3([CH](C4(C=CC(=CC(OC3)=4)O))O)))'
p7368
S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))3)4))'
p7369
tp7370
sI2457
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C)CCCC(C)2[CH]3CC4))))'
p7371
S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(CO)CCCC(C)2[CH]3CC4))))'
p7372
tp7373
sI2458
(S'CCCC'
p7374
S'CCCCO'
p7375
tp7376
sI2459
(S'COC2(C=C3(OC(C1(=CC=C(O)C(O)=C1))=C(OC)C(=O)C(=C(O)C(O)=2)3))'
p7377
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p7378
tp7379
sI2460
(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-])'
p7380
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)))'
p7381
tp7382
sI2461
(S'COC1(=C(C(=CC(=C1)C([O-])=O)O)O)'
p7383
S'COC(C=C(C=C(C(=O)[O-])O)C([O-])=O)=O'
p7384
tp7385
sI2462
(S'C(CO)C([N+])C([O-])=O'
p7386
S'[CH](=O)CC([N+])C(=O)[O-]'
p7387
tp7388
sI2463
(S'C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)'
p7389
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)))'
p7390
tp7391
sI2464
(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))))))'
p7392
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))))))'
p7393
tp7394
sI2465
(S'C1(=CC=C(C=C1)S(=O)([O-])=O)'
p7395
S'C1(C=CC(=C(C=1)O)O)'
p7396
tp7397
sI2466
(S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p7398
S'C(O)C2(OC(OC(C1(C=CC=CC(N)=1))=O)C(O)C(O)C(O)2)'
p7399
tp7400
sI2467
(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))))'
p7401
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))))'
p7402
tp7403
sI2468
(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'
p7404
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'
p7405
tp7406
sI2469
(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)'
p7407
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)'
p7408
tp7409
sI2470
(S'C(=O)C(CC(C([O-])=O)[N+])O'
p7410
S'C([O-])(C(CC(O)C([O-])=O)[N+])=O'
p7411
tp7412
sI2471
(S'C(C1(=CNC2(=C1C=CC=C2)))N=C=S'
p7413
S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p7414
tp7415
sI2472
(S'CCC(CC(C)C(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2))C'
p7416
S'CCC(CC(C)C(=O)C2(C(=O)NC(C(O)C1(C=CC(O)=CC=1))C([O-])=2))C'
p7417
tp7418
sI2473
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p7419
S'C(CC1(=CC(C(C=C1)=O)=O))[N+]'
p7420
tp7421
sI2474
(S'C[N+]1(CCC4(=C3(C1CC2(C(=C(O)C(OC)=CC=2)C3=C(O)C(OC)=C4))))'
p7422
S'C[N+]1(C)(CCC4(=C3(C1CC2(C(=C(O)C(OC)=CC=2)C3=C(O)C(OC)=C4))))'
p7423
tp7424
sI2475
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))'
p7425
S'C=C1(CC24(CC(O)1CCC(C3(C(CC2)C(C(O)=O)(C)CCC3)C)4))'
p7426
tp7427
sI2476
(S'C[N+]CCCC[N+]'
p7428
S'C[N+]CCCC=O'
p7429
tp7430
sI2477
(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'
p7431
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'
p7432
tp7433
sI2478
(S'C1(CC(O)C([N+]1)C(=O)[O-])'
p7434
S'C1(CCC(C([O-])=O)=N1)'
p7435
tp7436
sI2479
(S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(CO)C)CC=C2C=3)C)))C'
p7437
S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CC=C2C=3)C)))C'
p7438
tp7439
sI2480
(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)'
p7440
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)'
p7441
tp7442
sI2481
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CNC1(C=CC=CC(C(=O)[O-])=1)'
p7443
S'C2(=C(C1(C=CC=CC=1N2))C(C(COP([O-])(=O)[O-])O)O)'
p7444
tp7445
sI2482
(S'C2(C=CC1(=C(C=CC(O)C(O)1)C=2))'
p7446
S'C1(C=CC2(=C(C=1)C=CC(O)=C2O))'
p7447
tp7448
sI2483
(S'C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p7449
S'C1(C(C(C(C(C1O)O)O)O)O)O'
p7450
tp7451
sI2484
(S'CC(C3(=CC=C2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p7452
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p7453
tp7454
sI2485
(S'C[N+]5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C=5))))'
p7455
S'CN5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C5))))'
p7456
tp7457
sI2486
(S'CSCCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p7458
S'CSCCCCCCCCC(S)=NO'
p7459
tp7460
sI2487
(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+]'
p7461
S'C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C([O-])=O)[N+])(CO)NC(=O)2))C(C([O-])=O)[N+]'
p7462
tp7463
sI2488
(S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p7464
S'C2(=C(C1(C=CC=CC=1N2))C(O)C=O)'
p7465
tp7466
sI2489
(S'CC1(C[N+]2(C3(CC4(C(C)(C(C(C)C(CC1)2)3)CCC5(C4CC=C6(C(C)5CCC(O)C6))))))'
p7467
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))'
p7468
tp7469
sI2490
(S'C2(CC1(C=C(OC)C(O)=CC=1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4))))'
p7470
S'C2(CC1(=CC5(OCOC(C=C1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4)))=5)))'
p7471
tp7472
sI2491
(S'C[N+]4(CC(C(=O)[O-])C=C1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p7473
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)))'
p7474
tp7475
sI2492
(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)))'
p7476
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)'
p7477
tp7478
sI2493
(S'CC1(OC1CCC2(C)([CH](O)CCC3(C)([CH]2CC[CH]4(C(C)3C5(=C(C4)C6(=C(N5)C=CC=C6))))))(C)'
p7479
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))))))'
p7480
tp7481
sI2494
(S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p7482
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)'
p7483
tp7484
sI2495
(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)'
p7485
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)'
p7486
tp7487
sI2496
(S'C([N+])C(O)CCN(O)C(=O)CCC(=O)[O-]'
p7488
S'C([N+])C(O)CCN(O)C(=O)CCC(=O)NCC(O)CCN(O)C(=O)CCC(=O)[O-]'
p7489
tp7490
sI2497
(S'C(CC[N+])=O'
p7491
S'C(C[N+])C([O-])=O'
p7492
tp7493
sI2498
(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)))'
p7494
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-])))'
p7495
tp7496
sI2499
(S'CC1(C(NO)=CC([N+](=O)[O-])=CC([N+](=O)[O-])=1)'
p7497
S'CC2(C(NO)=C(C1(OC(CO)C(O)C(O)C(O)1))C([N+]([O-])=O)=CC([N+]([O-])=O)=2)'
p7498
tp7499
sI2500
(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))))'
p7500
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))))'
p7501
tp7502
sI2501
(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))'
p7503
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))'
p7504
tp7505
sI2502
(S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p7506
S'C2(CC1(C=C(OC)C(O)=CC=1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4))))'
p7507
tp7508
sI2503
(S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p7509
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p7510
tp7511
sI2504
(S'CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]'
p7512
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)'
p7513
tp7514
sI2505
(S'C(C1(C(C(C(O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]'
p7515
S'CC1(=C([O-])C(=O)CO1)'
p7516
tp7517
sI2506
(S'CCCC=CCO'
p7518
S'CCCC=C[CH]=O'
p7519
tp7520
sI2507
(S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p7521
S'C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O)'
p7522
tp7523
sI2508
(S'C[S+](CCC([N+])C(=O)[O-])C'
p7524
S'C[S+](C)CCC[N+]'
p7525
tp7526
sI2509
(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)))'
p7527
S'C(O)C1(C(O)C([N+])C(O)C(O)O1)'
p7528
tp7529
sI2510
(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)))'
p7530
S'CC(C([O-])=O)OC2(C(O)C1(COC(O1)C(NC(C)=O)2))'
p7531
tp7532
sI2511
(S'CC(C(C([O-])=O)=O)C'
p7533
S'CCCC(=O)C(=O)[O-]'
p7534
tp7535
sI2512
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C(C1(C=CC=CC=1N(C(C)=2)O))=O)'
p7536
S'CC(C)=CCCC(C)=CCCC(C)=CCC12(OC(C)1N(C3(C=CC=CC(C2=O)=3))O)'
p7537
tp7538
sI2513
(S'C(C(O)CO)O'
p7539
S'[CH](=O)C(CO)O'
p7540
tp7541
sI2514
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p7542
S'COC2(=C(C(=CC(C=CC(=O)NCCC1(C=CC(O)=CC=1))=C2)OC)O)'
p7543
tp7544
sI2515
(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))))'
p7545
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7546
tp7547
sI2516
(S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)OC))CC3(=CC=C(C=C3)O))'
p7548
S'C3(CC1(C=C(C(=CC=1C(CC2(=CC=C(C(=C2)O)O))[N+]3)O)OC))'
p7549
tp7550
sI2517
(S'C1(OC2(=CC=CC=C(C=C1)2))=O'
p7551
S'C1(C=C2(C(=CC=1)OC(CC2)=O))'
p7552
tp7553
sI2518
(S'CC(=CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p7554
S'CC(=CCCC(=CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p7555
tp7556
sI2519
(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))))'
p7557
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'
p7558
tp7559
sI2520
(S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=CC=2C)O)))C)C)C'
p7560
S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=C(C(=CC=2C)O)C)))C)C)C'
p7561
tp7562
sI2521
(S'C=C(C(=O)[O-])OC1(=CC=CC(C([O-])=O)=C1)'
p7563
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)))'
p7564
tp7565
sI2522
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p7566
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p7567
tp7568
sI2523
(S'C(CCC(C([O-])=O)[N+])(NCCCC(=O)[O-])=O'
p7569
S'C(C[N+])CC([O-])=O'
p7570
tp7571
sI2524
(S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p7572
S'CC(=CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))C'
p7573
tp7574
sI2525
(S'CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO'
p7575
S'C(C(O)CO)O'
p7576
tp7577
sI2526
(S'C(C1(C=CC(Cl)=CC=1O))([O-])=O'
p7578
S'C1(C=C(C(=CC=1Cl)O)O)'
p7579
tp7580
sI2527
(S'C2(C=CC1(=C(C(O)=CN1)C=2))'
p7581
S'C2(C=CC3(NC=C(OC1(OC(CO)C(O)C(O)C(O)1))C(C=2)=3))'
p7582
tp7583
sI2528
(S'C(CP([O-])(O)=O)[N+]'
p7584
S'[CH](CP([O-])(O)=O)=O'
p7585
tp7586
sI2529
(S'C([N+])CC2(=CNC1(=C(C=CC=C1)2))'
p7587
S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p7588
tp7589
sI2530
(S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p7590
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(C([O-])=O)CC2(C=CC(=C(C=2)O)O))=O'
p7591
tp7592
sI2531
(S'CC([CH]=O)O'
p7593
S'CC([CH]=O)=O'
p7594
tp7595
sI2532
(S'CC2(=C(C=O)C(C)(C)CC(OC1(C(C(C(C(O1)CO)O)O)O))C2)'
p7596
S'CC1(=C(C=O)C(C)(C)CC=C1)'
p7597
tp7598
sI2533
(S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))'
p7599
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)OC(C)=O)))'
p7600
tp7601
sI2534
(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))'
p7602
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))'
p7603
tp7604
sI2535
(S'C(C(O)CO)O'
p7605
S'C(C(CO)OP([O-])([O-])=O)O'
p7606
tp7607
sI2536
(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'
p7608
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)'
p7609
tp7610
sI2537
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p7611
S'C([O-])(=O)C1(=CNC2(=C1C=CC=C2))'
p7612
tp7613
sI2538
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C([N+])O1)'
p7614
S'C(O)C1(=CN=C(C(=C(CO)1)O)CO)'
p7615
tp7616
sI2539
(S'C1(C(Cl)=CC(=C(C=1)Cl)Cl)'
p7617
S'C1(=C(C(O)C(O)C(Cl)=C1Cl)Cl)'
p7618
tp7619
sI2540
(S'C4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p7620
S'CC(C)=CCC4(C3(=C([CH]2(OC1(C(=CC=C(O)C=1)C(O)2CO3)))C=CC(O)=4))'
p7621
tp7622
sI2541
(S'C(CO)S(=O)(=O)[O-]'
p7623
S'[CH](=O)CS([O-])(=O)=O'
p7624
tp7625
sI2542
(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'
p7626
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'
p7627
tp7628
sI2543
(S'C(C(CC1(=CC=C(C=C1)O))N(O)O)([O-])=O'
p7629
S'C(CC1(=CC=C(C=C1)O))=NO'
p7630
tp7631
sI2544
(S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p7632
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)'
p7633
tp7634
sI2545
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(OC(C)=O)1)2)C=CC=C3NC=4))))'
p7635
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))))'
p7636
tp7637
sI2546
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p7638
S'C1(=O)(CC[CH](N(C)1)C2(C=N(=O)C=CC=2))'
p7639
tp7640
sI2547
(S'CC1(=C(Cl)C(C(Cl)C([O-])=O)OC(=O)1)'
p7641
S'CC(C([O-])=O)=C(Cl)C=C(C([O-])=O)Cl'
p7642
tp7643
sI2548
(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)'
p7644
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)'
p7645
tp7646
sI2549
(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'
p7647
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(=C1C)O)O))C)C)C)C)C)C'
p7648
tp7649
sI2550
(S'C(O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p7650
S'C(OC(C1(C=CC=CC=1))=O)CCCC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p7651
tp7652
sI2551
(S'CC(C)=CCC4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p7653
S'CC1(C)(C=CC2(=C(O1)C=C3(OCC4(O)(C5(C=CC(O)=CC(O[CH](C(=C2)3)4)=5)))))'
p7654
tp7655
sI2552
(S'C(C1(C=CC=CC=1O))O'
p7656
S'C(O)C1(=C(C=CC=C1)OC2(OC(CO)C(O)C(O)C(O)2))'
p7657
tp7658
sI2553
(S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)C)C))'
p7659
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C([O-])=O)C)C))'
p7660
tp7661
sI2554
(S'CC(C(=O)C(C)C([O-])=O)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p7662
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p7663
tp7664
sI2555
(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))'
p7665
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))'
p7666
tp7667
sI2556
(S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(O)1)'
p7668
S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p7669
tp7670
sI2557
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p7671
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)))'
p7672
tp7673
sI2558
(S'C=C(N)C(=O)[O-]'
p7674
S'CC(=N)C(=O)[O-]'
p7675
tp7676
sI2559
(S'C(Cl)C1(C(O)C(O)C(=O)O1)'
p7677
S'C(=O)([O-])C(O)C(O)C(O)CCl'
p7678
tp7679
sI2560
(S'CC(C)=CCCC(C)=CCCC(C)=CCSCC([N+])C([O-])=O'
p7680
S'CC(C)=CCCC(C)=CCCC(C)=C[CH]=O'
p7681
tp7682
sI2561
(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)'
p7683
S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)C(O)1)'
p7684
tp7685
sI2562
(S'C2(C3(CC1(C(=O)OC(CC(C1)2)C3)))'
p7686
S'C1(C3(C(=O)OC2(CC(CC1C2)(O)C3)))'
p7687
tp7688
sI2563
(S'C1(C(Cl)C(Cl)=CC(C(Cl)=1)O)'
p7689
S'C1(=C(Cl)C(C=C(Cl)C(O)1)O)'
p7690
tp7691
sI2564
(S'C(=NO)CC1(=CNC2(C=CC=CC1=2))'
p7692
S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p7693
tp7694
sI2565
(S'C(=O)([O-])CCCCC[CH]=O'
p7695
S'C([O-])(=O)CCCCCCS'
p7696
tp7697
sI2566
(S'CC(C)=CCC3(C(=CC(=C1(C(OC=C(C1=O)C2(C(O)=CC(O)=CC=2))=3))O)[O-])'
p7698
S'CC(=CCC1(=C(C=C(C2(=C1OCC(C2=O)C3(C=CC(=CC=3O)O)))O)[O-]))C'
p7699
tp7700
sI2567
(S'CN4(CCC1(C(=CC2(OCOC(C=1)=2))C(CC5(C=CC3(OCOC=3C(C4O)=5)))=O))'
p7701
S'C4(C2(C(=CC=C1(OCOC1=2))C3(C=CC5(C=C6(OCOC(=CC(C=3N(C)4)=5)6)))))'
p7702
tp7703
sI2568
(S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(C(O)CC(C)[CH]2C3)))'
p7704
S'CC(C)C1(CCC3(C)(C1=CCC(O)(C)[CH]2(C(O)CC(CO)[CH]2C3)))'
p7705
tp7706
sI2569
(S'C=C(C)C1(CCC(C)=CC(O)1)'
p7707
S'C=C(C1(CCC(=CC1=O)C))C'
p7708
tp7709
sI2570
(S'C3(C=C(C1(C(C2(C=CC(=CC(OC1)=2)O))O))C(=CC=3O)O)'
p7710
S'C3(=CC(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=C(C=C3O)O)'
p7711
tp7712
sI2571
(S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC'
p7713
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(=O)CC'
p7714
tp7715
sI2572
(S'CC=CC=C(O)C(=O)[O-]'
p7716
S'CCC(O)CC(=O)C(=O)[O-]'
p7717
tp7718
sI2573
(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))))'
p7719
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)'
p7720
tp7721
sI2574
(S'C(CCCCCCCCCCCCCCC([O-])=O)O'
p7722
S'COC1(C(O)=CC=C(C=1)C=CC(=O)OCCCCCCCCCCCCCCCC(=O)[O-])'
p7723
tp7724
sI2575
(S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p7725
S'CC(C)=CC1(N4(C(O)(C(O)C3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p7726
tp7727
sI2576
(S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))'
p7728
S'CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C(=CCC2)C=CC3(CC(O)CCC(C)=3)))'
p7729
tp7730
sI2577
(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)))'
p7731
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)))'
p7732
tp7733
sI2578
(S'C=C1(OC(=O)CC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p7734
S'CC3(C)(CC4(C=C(C([O-])=O)C2(C(C1(OC1)OC(=O)C2)(C3)4)))'
p7735
tp7736
sI2579
(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)))))'
p7737
S'CC(CCC(O)C(O)C(O)CO)C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))'
p7738
tp7739
sI2580
(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)'
p7740
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N2(C=NC(C(=O)N)=C(N)2))'
p7741
tp7742
sI2581
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p7743
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p7744
tp7745
sI2582
(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))))'
p7746
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))))'
p7747
tp7748
sI2583
(S'C1(O)(C(O)C(O)C(OP([O-])(=O)[O-])C(O)C(O)1)'
p7749
S'C1(C(C(C(C(C1O)O)O)O)O)O'
p7750
tp7751
sI2584
(S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))3)4))'
p7752
S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))=3)4))'
p7753
tp7754
sI2585
(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))))'
p7755
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))))'
p7756
tp7757
sI2586
(S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(C)C)O)C))))C'
p7758
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(CO)C)O)C))))C'
p7759
tp7760
sI2587
(S'CC([O-])=O'
p7761
S'CCCC(=O)[O-]'
p7762
tp7763
sI2588
(S'CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO'
p7764
S'CCC=CCC=CC=COC=CCCCCCCC([O-])=O'
p7765
tp7766
sI2589
(S'CC(=CCOP([O-])(=O)OP([O-])(=O)[O-])CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))'
p7767
S'C=CC(=C)CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))'
p7768
tp7769
sI2590
(S'C=C(C1(CC2(C(CCCC(=CC1)2)C)C))C'
p7770
S'C=C(C1(CC2(C(C(CCC(=CC1)2)O)C)C))C'
p7771
tp7772
sI2591
(S'C([O-])(=O)C(N(O)O)CC1(C=CC=CC=1)'
p7773
S'C(=NO)CC1(C=CC=CC=1)'
p7774
tp7775
sI2592
(S'C(CO)[N+]'
p7776
S'C[N+]CCO'
p7777
tp7778
sI2593
(S'CC(=O)CC1(=CC2(C=C(O)C=C(O)C(C(O)=C1C=O)=2))'
p7779
S'CC(=O)CC1(=CC2(C=C(OC)C=C(O)C(C(O)=C1C=O)=2))'
p7780
tp7781
sI2594
(S'C(C1(=C(Cl)C=CC=C1))([O-])=O'
p7782
S'C1(C=CC(=C(C=1)O)O)'
p7783
tp7784
sI2595
(S'C=CC=S'
p7785
S'C=CC1(CC=CSS1)'
p7786
tp7787
sI2596
(S'C(=O)C(O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p7788
S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(O)O1)'
p7789
tp7790
sI2597
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p7791
S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p7792
tp7793
sI2598
(S'CN1(C(=O)C2(S)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p7794
S'CN1(C(=O)C2(SC)(CC3([CH](N(C(=O)C(S)(CO)1)2)C(O)C=CC=3)))'
p7795
tp7796
sI2599
(S'[CH](=O)CCCC([N+])C(=O)[O-]'
p7797
S'C(C1(CCCC=N1))([O-])=O'
p7798
tp7799
sI2600
(S'C1(OC(=O)C(=O)OC(C(O)C(=O)[O-])1)'
p7800
S'C(=O)([O-])C(O)C(O)COC(=O)C(=O)[O-]'
p7801
tp7802
sI2601
(S'CC=CC=O'
p7803
S'CCC[CH]=O'
p7804
tp7805
sI2602
(S'C(=O)(C(C1(C=CC=CC=1))=O)[O-]'
p7806
S'C(=O)C1(=CC=CC=C1)'
p7807
tp7808
sI2603
(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)'
p7809
S'COC1(C(O)=CC=C(C(=O)CCO)C=1)'
p7810
tp7811
sI2604
(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)'
p7812
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)'
p7813
tp7814
sI2605
(S'C(OP([O-])(=O)[O-])C1(OC(O)C([N+])C(O)C(O)1)'
p7815
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p7816
tp7817
sI2606
(S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))CO)C'
p7818
S'CC(C)=CCCC1(=CC(C2(C(=CC=C(C(C1=O)=2)O)O))=O)'
p7819
tp7820
sI2607
(S'C1(=CC(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p7821
S'C1(CC(C(CC([N+]([O-])=O)1)[N+](=O)[O-])=O)'
p7822
tp7823
sI2608
(S'CC1(C=C(C=C(C=1)OC)O)'
p7824
S'CC1(=CC(=CC(=C1)OC)OC)'
p7825
tp7826
sI2609
(S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p7827
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))))'
p7828
tp7829
sI2610
(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))))'
p7830
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))))'
p7831
tp7832
sI2611
(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))))'
p7833
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))))'
p7834
tp7835
sI2612
(S'CCC=CCC(O)C=CC=CCC=CC=CC=CC1(OC1CCC(=O)[O-])'
p7836
S'CCC=CCC(O)C=CC=CCC(O)C=CC=CC=CC(O)CCC(=O)[O-]'
p7837
tp7838
sI2613
(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)'
p7839
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))))'
p7840
tp7841
sI2614
(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'
p7842
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'
p7843
tp7844
sI2615
(S'CSCCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p7845
S'CSCCCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p7846
tp7847
sI2616
(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)'
p7848
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)'
p7849
tp7850
sI2617
(S'C2(=C(C1(C(O)=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p7851
S'COC1(=CC=CC2(=C1C(=CN2)CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3)))'
p7852
tp7853
sI2618
(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)))'
p7854
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-]))'
p7855
tp7856
sI2619
(S'CC(=O)NC1(C(CC(C([O-])=O)(O)O[CH]1C(O)C(O)CO)O)'
p7857
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)'
p7858
tp7859
sI2620
(S'CC(C)(C1(C=CC(O)=CC=1))C2(=CC=C(O)C=C2)'
p7860
S'CC(O)(CC1(=CC=C(O)C=C1))C2(=CC=C(O)C=C2)'
p7861
tp7862
sI2621
(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))'
p7863
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)'
p7864
tp7865
sI2622
(S'CC(CCCC(CCCC(C)CCCC(C)=CCOP([O-])(=O)[O-])C)C'
p7866
S'CC(CCCC(CCCC(CCCC(=CCOP([O-])(=O)OP([O-])(=O)[O-])C)C)C)C'
p7867
tp7868
sI2623
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C)=C2C3)))'
p7869
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)=C2C3)))'
p7870
tp7871
sI2624
(S'C([O-])(=O)C(=CC(=O)[O-])CC(=O)[O-]'
p7872
S'C=C(C(=O)[O-])CC([O-])=O'
p7873
tp7874
sI2625
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p7875
S'C(NC(=O)C1(C=CC=C(Cl)C=1))C(=O)[O-]'
p7876
tp7877
sI2626
(S'C([N+])CC1(C=CC(=CC=1)OC2(C=C(I)C(O)=C(I)C=2))'
p7878
S'C([N+])CC1(=CC=C(C=C1)OC2(C=C(I)C(O)=CC=2))'
p7879
tp7880
sI2627
(S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p7881
S'C(C1(=CNC2(=C1C=CC=C2)))SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC(=O)[O-]'
p7882
tp7883
sI2628
(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'
p7884
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'
p7885
tp7886
sI2629
(S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p7887
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O'
p7888
tp7889
sI2630
(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)'
p7890
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)'
p7891
tp7892
sI2631
(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)'
p7893
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))'
p7894
tp7895
sI2632
(S'C[N+](CCCC(C(C([O-])=O)[N+])O)(C)C'
p7896
S'C(CC[CH]=O)[N+](C)(C)C'
p7897
tp7898
sI2633
(S'[CH](=O)CC([O-])=O'
p7899
S'C(C[N+])C([O-])=O'
p7900
tp7901
sI2634
(S'C[N+]CCO'
p7902
S'C[N+](C)CCO'
p7903
tp7904
sI2635
(S'C1(=O)(C([N+])C(S)C(=CS)N1)'
p7905
S'C1(=O)(C(=N)C(S)C(=CS)N1)'
p7906
tp7907
sI2636
(S'C(CCC[N+])NC(=[N+])N'
p7908
S'C([N+])CCC[N+]'
p7909
tp7910
sI2637
(S'CC(C)=CCCC(=CCCC(C)=CC(=O)[O-])C'
p7911
S'CC(C)=CCCC(=CCCC(C)=CC(=O)OC)C'
p7912
tp7913
sI2638
(S'COC1(=CC(C=CC=O)=CC(O)=C(O)1)'
p7914
S'COC1(C=C(C=CC=O)C=C(OC)C(O)=1)'
p7915
tp7916
sI2639
(S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)OC))C'
p7917
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'
p7918
tp7919
sI2640
(S'CC(=CCC1(=C(C=C(C(=C1O)C(C(C)C)=O)O)[O-]))C'
p7920
S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(C(C)C)=O)O))C'
p7921
tp7922
sI2641
(S'C2(=C(C1(C=CC=CC=1N2))CC(SCC([N+])C(=O)NCC([O-])=O)=NO)'
p7923
S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)[S-])'
p7924
tp7925
sI2642
(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)))'
p7926
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)))'
p7927
tp7928
sI2643
(S'C2(C=C(C1(C=CC=C(O)C=1O))C(O)=C(C=2)O)'
p7929
S'C1(C=C(O)C(=C(C=1)C(C=CC=C(C(=O)[O-])O)=O)O)'
p7930
tp7931
sI2644
(S'CCC2(C[N+]3(CCC1(=CC(OC)=C(OC)C=C1[CH](CC2CC=O)3)))'
p7932
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)))'
p7933
tp7934
sI2645
(S'C([N+])CC[N+]CCCC([N+])C([O-])=O'
p7935
S'C([N+])CC[N+]CCCC[N+]'
p7936
tp7937
sI2646
(S'C([N+])CCCCNO'
p7938
S'CC(N(CCCCC[N+])O)=O'
p7939
tp7940
sI2647
(S'COC1(=CC(=CC(OC)=C(OC)1)C2([CH]5(C(=O)OC[CH](CC4(=C2C=C3(C(OCO3)=C(OC)4)))5)))'
p7941
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)))'
p7942
tp7943
sI2648
(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-]))'
p7944
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)))'
p7945
tp7946
sI2649
(S'C(O)CCCCCC([N+])C([O-])=O'
p7947
S'C(CCC(=O)[O-])CCC([N+])C([O-])=O'
p7948
tp7949
sI2650
(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)'
p7950
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)'
p7951
tp7952
sI2651
(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)))'
p7953
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)'
p7954
tp7955
sI2652
(S'C1(C(Cl)=CC(O)C(O)C=1Cl)'
p7956
S'C1(C(Cl)=CC(=C(C(Cl)=1)O)O)'
p7957
tp7958
sI2653
(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)'
p7959
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)'
p7960
tp7961
sI2654
(S'CCCCCC=CC=CC(CCCCCCCC([O-])=O)OO'
p7962
S'CCCCCC=CC=COC=CCCCCCCC([O-])=O'
p7963
tp7964
sI2655
(S'CC(=C2(C(N1(C(C5(C(C1C2=O)C3(C4(=C(NC=3)C=CC=C4C5))))(C)C))=O))[O-]'
p7965
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-]'
p7966
tp7967
sI2656
(S'CC(=O)NCCC[N+]CCCC[N+]'
p7968
S'C([N+])CCC[N+]'
p7969
tp7970
sI2657
(S'CCNC1(=NC(Cl)=NC(=N1)NC(C)C)'
p7971
S'CC(NC1(N=C(N)N=C(N=1)Cl))C'
p7972
tp7973
sI2658
(S'COC1(C(=CC=C([CH]=O)C=1)O)'
p7974
S'COC1(C(=CC=C(C=1)C[N+])O)'
p7975
tp7976
sI2659
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p7977
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p7978
tp7979
sI2660
(S'CC(C1(C=CC(C([O-])=O)=CC=1))C'
p7980
S'CC(C1(C(O)C(O)C(=CC=1)C([O-])=O))C'
p7981
tp7982
sI2661
(S'C(=O)C=CC1(C=CC(O)=CC=1)'
p7983
S'C(=O)C=CC1(=CC=C(O)C(O)=C1)'
p7984
tp7985
sI2662
(S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p7986
S'C(=O)([O-])CC(O)(C([O-])=O)CC1(C=CC=CC=1)'
p7987
tp7988
sI2663
(S'C1(CC[CH]([N+](C)1)C2(C=NC=CC=2))'
p7989
S'C1(CC[CH]([N+](C)1)C2(C=NC(O)=CC=2))'
p7990
tp7991
sI2664
(S'COC5(C(OC)=CC4(C(C2(C=C1(OCOC1=CC=2)))=C3(C(=O)OCC3=CC=4C=5)))'
p7992
S'COC5(=CC4(C(C2(C=C1(C(OCO1)=CC=2)))=C3(C(=O)OCC3=C(O)C=4C=C(OC)5)))'
p7993
tp7994
sI2665
(S'C=C(C([O-])=O)CCC(=O)[O-]'
p7995
S'C=C(C(C)C(=O)[O-])C(=O)[O-]'
p7996
tp7997
sI2666
(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)'
p7998
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)'
p7999
tp8000
sI2667
(S'CC(C(O)C(=O)NC(=N)NC=CCC(C([O-])=O)[N+])C2(=CNC1(=C(C=CC=C1)2))'
p8001
S'CC([C-]1(OC(NC=CCC([N+])C(=O)[O-])=[N+]C(=O)1))C3(=CNC2(=C(C=CC=C2)3))'
p8002
tp8003
sI2668
(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'
p8004
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'
p8005
tp8006
sI2669
(S'CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(CC([O-])=O)=O'
p8007
S'CC(=O)CC(=O)C1(C(CC(=O)CC(=O)CC([O-])=O)=CC2(=CC(=CC(O)=C(C=1O)2)O))'
p8008
tp8009
sI2670
(S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p8010
S'CNC1(=CC=CC=C1C([O-])=O)'
p8011
tp8012
sI2671
(S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p8013
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))'
p8014
tp8015
sI2672
(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)'
p8016
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)'
p8017
tp8018
sI2673
(S'[CH](=O)C(C(C(C(CO)O)O)O)=O'
p8019
S'C(=O)C1(O)(C(O)C(O)C(O)CO1)'
p8020
tp8021
sI2674
(S'CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C(=CCC2)C=CC3(CC(O)CCC(C)=3)))'
p8022
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CCC(=C)3)O)))'
p8023
tp8024
sI2675
(S'C(=O)([O-])C(O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p8025
S'C(=O)([O-])C(=O)C(NC1(=C(N)C=CC=C1))C(=O)[O-]'
p8026
tp8027
sI2676
(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))))'
p8028
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)))))'
p8029
tp8030
sI2677
(S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p8031
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)))'
p8032
tp8033
sI2678
(S'C(O)C2(C(O)C(O)C(O)C(OC1(C(O)C(O)C(O)C(O)C1O))O2)'
p8034
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'
p8035
tp8036
sI2679
(S'C1(C=CC(=CC=1)OC2(C=CC=CC=2))'
p8037
S'C2(C=CC(OC1(=CC=CC(O)C(O)1))=CC=2)'
p8038
tp8039
sI2680
(S'C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1)'
p8040
S'C([O-])(=O)C1(NC2(=C(C1)C=C(O)C(O)=C2))'
p8041
tp8042
sI2681
(S'C(=O)CCS(=O)([O-])=O'
p8043
S'C([O-])(=O)CCS(=O)([O-])=O'
p8044
tp8045
sI2682
(S'C2(CC1(C=C(OC)C(O)=CC=1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4))))'
p8046
S'COC1(C=CC3(=C(C(OC)=1)C=[N+]4(CCC2(=CC(OC)=C(O)C=C2C(=C3)4))))'
p8047
tp8048
sI2683
(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)'
p8049
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))'
p8050
tp8051
sI2684
(S'C([N+]C(C([O-])=O)CC[N+]1(CC(C([O-])=O)C1))CC([N+])C([O-])=O'
p8052
S'C(C(CC[N+]1(C(CC1)C([O-])=O))[N+]CCC(C([O-])=O)=O)([O-])=O'
p8053
tp8054
sI2685
(S'C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O'
p8055
S'C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]'
p8056
tp8057
sI2686
(S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))'
p8058
S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p8059
tp8060
sI2687
(S'C2(C=CC1(=C(C(C=O)=CN1)C=2))'
p8061
S'C([O-])(=O)C1(=CNC2(=C1C=CC=C2))'
p8062
tp8063
sI2688
(S'[CH](N)=CC(=O)[O-]'
p8064
S'[CH](=O)CC([O-])=O'
p8065
tp8066
sI2689
(S'CC1(C(=O)C([O-])=C(C)O1)'
p8067
S'C=C1(C(=O)C([O-])=C(C)O1)'
p8068
tp8069
sI2690
(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'
p8070
S'C(C1(OC(OP(=O)([O-])[O-])C(C(C(O)1)O)O))O'
p8071
tp8072
sI2691
(S'C1(C=C(C(=CC=1Cl)O)O)'
p8073
S'C([O-])(=O)C=CC(=CC([O-])=O)Cl'
p8074
tp8075
sI2692
(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'
p8076
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'
p8077
tp8078
sI2693
(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'
p8079
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)'
p8080
tp8081
sI2694
(S'CCC1(C=CC=CC=1)'
p8082
S'CC(O)C1(C=CC=CC=1)'
p8083
tp8084
sI2695
(S'NO'
p8085
S'N=O'
p8086
tp8087
sI2696
(S'C1(=CC=C(C([O-])=O)C=N1)'
p8088
S'C([O-])(=O)C1(=C[N+](=CC=C1)C2(OC(C(C(C2O)O)O)CO))'
p8089
tp8090
sI2697
(S'COC1(=CC(=CC(=C1)O)O)'
p8091
S'COC1(C=C(C=C(C=1)O)OC)'
p8092
tp8093
sI2698
(S'C(C(CC1(C=CC(C=C1)O)C([O-])=O)[N+])([O-])=O'
p8094
S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p8095
tp8096
sI2699
(S'CC1(C=C2(C(=NC=1)C=CC=C2))'
p8097
S'CC1(=CC2(=C(NC1=O)C=CC=C2))'
p8098
tp8099
sI2700
(S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p8100
S'CCCCCC=CCC=CCC=CC=CC(OO)CCCC([O-])=O'
p8101
tp8102
sI2701
(S'CC(CO)NC(=O)CCC([N+])C([O-])=O'
p8103
S'CC([N+])CO'
p8104
tp8105
sI2702
(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))'
p8106
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)))'
p8107
tp8108
sI2703
(S'COC1(=CC(C=CCO)=CC=C(O)1)'
p8109
S'CC(OCC=CC1(=CC(=C(C=C1)O)OC))=O'
p8110
tp8111
sI2704
(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-]'
p8112
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-]'
p8113
tp8114
sI2705
(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)'
p8115
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'
p8116
tp8117
sI2706
(S'C(CS(=O)(=O)[O-])SCC(Cl)O'
p8118
S'C1(OC(Cl)1)'
p8119
tp8120
sI2707
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OCC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p8121
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CC(O)CC(CO)([CH](CC2)3)4)C=O))C([O-])=O)))'
p8122
tp8123
sI2708
(S'C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)'
p8124
S'C3(C(C2(OC1(=CC(=C(C=C1C(C2)=O)O)O)))=CC=C(C=3)O)'
p8125
tp8126
sI2709
(S'C1([N+]C(C2(=C(C1)C=C(C(=C2)O)O))CC3(=CC=C(C=C3)O))'
p8127
S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)OC))CC3(=CC=C(C=C3)O))'
p8128
tp8129
sI2710
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p8130
S'C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2))'
p8131
tp8132
sI2711
(S'C([N+])CC[N+]CCCNC(=O)C1(=CC=CC(O)=C1O)'
p8133
S'CC2(OC(C1(C=CC(O)=C(O)C=1))=NC2C(=O)NCCCNCCCNC(=O)C3(C=CC=C(O)C=3O))'
p8134
tp8135
sI2712
(S'C1(=CC=C(C(Cl)=C1)[N+]([O-])=O)'
p8136
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p8137
tp8138
sI2713
(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'
p8139
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'
p8140
tp8141
sI2714
(S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p8142
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=CC(O)=CC=2))'
p8143
tp8144
sI2715
(S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p8145
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)))'
p8146
tp8147
sI2716
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)O))'
p8148
S'COC3(=CC(O)=C2(C(=O)C(O)=C(C1(C=C(O)C(OC)=CC=1))OC2=C3))'
p8149
tp8150
sI2717
(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)'
p8151
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)'
p8152
tp8153
sI2718
(S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p8154
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p8155
tp8156
sI2719
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O'
p8157
S'C(C(O)CO)O'
p8158
tp8159
sI2720
(S'C(N(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC([O-])=O)CCCC[N+]'
p8160
S'C1(CCNC(CCC(N(CCCCCNC(CCC(N(CC1)O)=O)=O)O)=O)=O)'
p8161
tp8162
sI2721
(S'COC1(=CC(=C(C=C1)C2(C(C3(=CC=C(C=C(OC2)3)O))O))O)'
p8163
S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p8164
tp8165
sI2722
(S'CC2(CCC1(C(OC(=O)C(=C)1)C3(OC(C)(CCC=2)3)))'
p8166
S'CC2(CCC1(C(OC(=O)C(=C)1)C3(OC(C)(C(O)CC=2)3)))'
p8167
tp8168
sI2723
(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'
p8169
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'
p8170
tp8171
sI2724
(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)'
p8172
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))'
p8173
tp8174
sI2725
(S'CC(=CC=C(C(=O)[O-])N)[CH]=O'
p8175
S'CC(C(=O)[O-])=CC=C(N)C([O-])=O'
p8176
tp8177
sI2726
(S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p8178
S'CCC=CCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p8179
tp8180
sI2727
(S'CCC(O)C=CC=CCC=CCC=CC=CC(OO)CCCC(=O)[O-]'
p8181
S'CCC(O)C=CC=CCC=CCC=CC=CC(O)CCCC(=O)[O-]'
p8182
tp8183
sI2728
(S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(C(C)C)=O)O))C'
p8184
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))'
p8185
tp8186
sI2729
(S'CCCCCC1(=CC(O)=C(C(=C1C([O-])=O)O)C2(C=C(CCC2C(C)=C)C))'
p8187
S'CCCCCC1(=CC(O)=C(C(=C1)O)C2(C=C(CCC2C(C)=C)C))'
p8188
tp8189
sI2730
(S'C2(=O)(C(N)=C1(SSC=C1N2))'
p8190
S'CC(=O)NC1(C(=O)NC2(=CSSC=12))'
p8191
tp8192
sI2731
(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))'
p8193
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))'
p8194
tp8195
sI2732
(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)'
p8196
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)'
p8197
tp8198
sI2733
(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'
p8199
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'
p8200
tp8201
sI2734
(S'C([O-])(=O)C1(O)(CC(O)C(O)C(O)C1)'
p8202
S'C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)'
p8203
tp8204
sI2735
(S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C=CC=O)C'
p8205
S'CC(C=CC1(=C(C)CCCC(C)(C)1))=COC2(C=C(C)C(=O)O2)'
p8206
tp8207
sI2736
(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)'
p8208
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))'
p8209
tp8210
sI2737
(S'C(OP([O-])(=O)[O-])C(O)C(O)C(O)C([N+])CO'
p8211
S'C(O)C(O)C(O)C(O)C([N+])CO'
p8212
tp8213
sI2738
(S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CC=C2C=3)C)))C'
p8214
S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C=O)C)CC=C2C=3)C)))C'
p8215
tp8216
sI2739
(S'C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)'
p8217
S'C=C(C(=O)[O-])OC1(CC=C(C(=O)CCC(=O)[O-])C(C(O)1)C(=O)[O-])'
p8218
tp8219
sI2740
(S'C(C(=O)C([O-])=O)P([O-])(O)=O'
p8220
S'[CH](CP([O-])(O)=O)=O'
p8221
tp8222
sI2741
(S'CC(=O)C1(C=CC(O)=CC=1)'
p8223
S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p8224
tp8225
sI2742
(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))'
p8226
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'
p8227
tp8228
sI2743
(S'C([O-])(=O)C1(=CC(=O)C(O)C(=O)C1)'
p8229
S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p8230
tp8231
sI2744
(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))'
p8232
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))'
p8233
tp8234
sI2745
(S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(O)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p8235
S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p8236
tp8237
sI2746
(S'CN(=O)(C)C'
p8238
S'C[N+]C'
p8239
tp8240
sI2747
(S'N=O'
p8241
S'N#N=O'
p8242
tp8243
sI2748
(S'COC1(=CC(=CC=C1N)C(=O)[O-])'
p8244
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)C(=O)[O-])'
p8245
tp8246
sI2749
(S'C([O-])(=O)C(=O)CC(O)CP(=O)([O-])O'
p8247
S'C(=O)([O-])C([N+])CC(O)CP(=O)([O-])O'
p8248
tp8249
sI2750
(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)))'
p8250
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)'
p8251
tp8252
sI2751
(S'C(CC[N+])[N+]'
p8253
S'C1(NNCC1)'
p8254
tp8255
sI2752
(S'C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p8256
S'C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)'
p8257
tp8258
sI2753
(S'COC1(C=CC(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p8259
S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))O)'
p8260
tp8261
sI2754
(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)'
p8262
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))'
p8263
tp8264
sI2755
(S'C1(C=CC(CC#N=O)=CC=1)'
p8265
S'C(SC(CC1(C=CC=CC=1))=NO)C(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC(=O)[O-]'
p8266
tp8267
sI2756
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p8268
S'COC1(C=C(C=C(O)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p8269
tp8270
sI2757
(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)'
p8271
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-])'
p8272
tp8273
sI2758
(S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p8274
S'C=C(O)[CH]=O'
p8275
tp8276
sI2759
(S'C(CCC(C(=O)[O-])[N+])(NC1(=CC=CC=C1))=O'
p8277
S'C1(C=CC(N)=CC=1)'
p8278
tp8279
sI2760
(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)))'
p8280
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)'
p8281
tp8282
sI2761
(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))'
p8283
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-]'
p8284
tp8285
sI2762
(S'C4(OC5(=CC1(=C(C2(C(O1)C3(C=CC(O)=CC(OC2)=3))(O))C=C(O4)5)))'
p8286
S'COC5(C=CC4(C1(C(C2(=C(O1)C=C3(OCOC(=C2)3)))(O)COC=4C=5)))'
p8287
tp8288
sI2763
(S'C1(=C(C(O)C(O)C(Cl)=C1Cl)Cl)'
p8289
S'C1(C(Cl)=C(O)C([O-])=C(Cl)C(Cl)=1)'
p8290
tp8291
sI2764
(S'C(CC[CH]=O)[N+](C)(C)C'
p8292
S'C[N+](CCCC([O-])=O)(C)C'
p8293
tp8294
sI2765
(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)))'
p8295
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)'
p8296
tp8297
sI2766
(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))))))'
p8298
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)))'
p8299
tp8300
sI2767
(S'C([O-])(=O)CC1(Cl)(OC(=O)C=C1)'
p8301
S'C=C1(C=CC(=O)O1)'
p8302
tp8303
sI2768
(S'C(C1(C=CC(=CC=1)C([O-])=O))([O-])=O'
p8304
S'C(=O)([O-])C1(O)(C=CC(=CC(O)1)C(=O)[O-])'
p8305
tp8306
sI2769
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(C)C(O)CC3)))CC4)))C'
p8307
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C'
p8308
tp8309
sI2770
(S'C([N+])C(O)[CH]1(OC(O)(C([O-])=O)CC(C1O)O)'
p8310
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)'
p8311
tp8312
sI2771
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p8313
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)))'
p8314
tp8315
sI2772
(S'CC1(NC(=O)NC1CCCCCC(=O)[O-])'
p8316
S'C1(SC(CCCCC(=O)[O-])[CH]2(NC(=O)N[CH]12))'
p8317
tp8318
sI2773
(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))'
p8319
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))'
p8320
tp8321
sI2774
(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'
p8322
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'
p8323
tp8324
sI2775
(S'C3(C(C1(C(C2(=CC(=C(C=C(OC1O)2)O)O))=O))=CC=C(C=3)O)'
p8325
S'C3(C(C1(=COC2(=CC(O)=C(O)C=C(C(=O)1)2)))=CC=C(O)C=3)'
p8326
tp8327
sI2776
(S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p8328
S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p8329
tp8330
sI2777
(S'C(CCC=CC(C([O-])=O)=O)([O-])=O'
p8331
S'C(CCC(O)CC(C([O-])=O)=O)([O-])=O'
p8332
tp8333
sI2778
(S'C(NC(C(=O)[O-])CC([O-])=O)(=O)CC1(C(NC2(=CC=CC=C12))=O)'
p8334
S'C(CC1(O)(C(=O)NC2(=C1C=CC=C2)))(=O)NC(CC(=O)[O-])C([O-])=O'
p8335
tp8336
sI2779
(S'C(=O)([O-])CC(O)C([O-])=O'
p8337
S'C(C([O-])=O)C(=O)C([O-])=O'
p8338
tp8339
sI2780
(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))))'
p8340
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))))'
p8341
tp8342
sI2781
(S'C2(=C(C=CC(=O)C1(=C(O)C=C(O)C=C(O)1))C=C(O)C(O)=C2)'
p8343
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)'
p8344
tp8345
sI2782
(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)'
p8346
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)'
p8347
tp8348
sI2783
(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))'
p8349
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))'
p8350
tp8351
sI2784
(S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(OC)C=C12)))3)O)'
p8352
S'CCC2(C[N+]3(CCC1(=CC(OC)=C(OC)C=C1[CH](CC2CC=O)3)))'
p8353
tp8354
sI2785
(S'C1(=C(Cl)C(Cl)=CC([O-])=C(Cl)1)'
p8355
S'C1(=C(C(=O)C=C(Cl)C1=O)Cl)'
p8356
tp8357
sI2786
(S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p8358
S'C1(N=CC(C(=O)N)=CC=1)'
p8359
tp8360
sI2787
(S'C=CC3(CC[CH]2(C1(CCC(O)C(C)([CH]1CCC2=C3)C)C))C'
p8361
S'C=CC2(CCC3(O)(C1(CCC(C(C)(C)[CH]1CCC(=C2)3)O)C))C'
p8362
tp8363
sI2788
(S'CCC1(C(=O)C([O-])=C(C)O1)'
p8364
S'CC=C1(C(=O)C([O-])=C(C)O1)'
p8365
tp8366
sI2789
(S'C([O-])(=O)C1(O)(C=C(Cl)C=CC(O)1)'
p8367
S'C1(C=C(C(=CC=1Cl)O)O)'
p8368
tp8369
sI2790
(S'C(C1(C(C(C(CO1)=O)O)O))O'
p8370
S'C(O)C1(OCC(=O)C(O)=C1)'
p8371
tp8372
sI2791
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p8373
S'COC1(=CC2(OC(CC(C(C(=C1)O)=2)=O)C3(C=CC(=CC=3)O)))'
p8374
tp8375
sI2792
(S'CC1(=CCCC(C)=CCC(C(C(=O)[O-])=C)CC1)'
p8376
S'CC1(CCC=C(C)CC(O)C(C(C(=O)[O-])=C)CC=1)'
p8377
tp8378
sI2793
(S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP([O-])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p8379
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'
p8380
tp8381
sI2794
(S'COC1(C(C(C(C(C1O)O)O)OC2(OC(C(C(C2O)O)O)CO))O)'
p8382
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)'
p8383
tp8384
sI2795
(S'CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O'
p8385
S'CCCCCC(O)C(CC=O)SCC([N+])C(=O)[O-]'
p8386
tp8387
sI2796
(S'C([N+])CC[N+]CCCC[N+]'
p8388
S'CC(=O)NCCC[N+]CCCC[N+]'
p8389
tp8390
sI2797
(S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p8391
S'C1(C=C(C=CC=1C3(OC2(=CC(=CC=C2C(C3)=O)O)))O)'
p8392
tp8393
sI2798
(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'
p8394
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)'
p8395
tp8396
sI2799
(S'C[N+]CC(=O)[O-]'
p8397
S'C[N+](CC([O-])=O)C'
p8398
tp8399
sI2800
(S'C=C(C)C1(CC(=O)OC(C)(O)CC1)'
p8400
S'C=C(C)C(CCC(=O)C)CC([O-])=O'
p8401
tp8402
sI2801
(S'C(O)C(O)C(=O)CO'
p8403
S'C(O)C(=O)C(O)COP([O-])(=O)[O-]'
p8404
tp8405
sI2802
(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)'
p8406
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)'
p8407
tp8408
sI2803
(S'CSCCCC(=O)C(=O)[O-]'
p8409
S'CSCCCC(C([O-])=O)[N+]'
p8410
tp8411
sI2804
(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'
p8412
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'
p8413
tp8414
sI2805
(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))))'
p8415
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))))'
p8416
tp8417
sI2806
(S'C1(O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p8418
S'C1(=O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p8419
tp8420
sI2807
(S'C(O)C(C(O)C(C(O)C(COP(=O)([O-])[O-])O)O)=O'
p8421
S'C(OP(=O)([O-])[O-])C(O)C(O)C(O)C(O)C(COP([O-])(=O)[O-])=O'
p8422
tp8423
sI2808
(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))))))'
p8424
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))))))'
p8425
tp8426
sI2809
(S'CC(C2(C(=C(C(=C1(C(C(C(CC1=O)C)=O)=2))C=O)[O-])O))C'
p8427
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'
p8428
tp8429
sI2810
(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)))'
p8430
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'
p8431
tp8432
sI2811
(S'C=CC#N'
p8433
S'C=CC([O-])=O'
p8434
tp8435
sI2812
(S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP([O-])([O-])=O)O)O))C=NC=23)))C'
p8436
S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p8437
tp8438
sI2813
(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)'
p8439
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)'
p8440
tp8441
sI2814
(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))'
p8442
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)))))'
p8443
tp8444
sI2815
(S'C(O)C1(OC(C(O)C(O)C(O)1)OC3(=CC2(C=CC(OC=2C=C(O)3)=O)))'
p8445
S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p8446
tp8447
sI2816
(S'CC1(=CC(=O)C(O)(C)C(=O)C(=CO)1)'
p8448
S'CC1(=C([CH]=O)C(O)=CC(=O)C(O)=C1)'
p8449
tp8450
sI2817
(S'CC2(C(=O)C(O)C1(CO)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p8451
S'CC2(C(=O)C(O)C1(CO)(C4(C(O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p8452
tp8453
sI2818
(S'CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p8454
S'CCC(OC1(OC(CO)C(O)C(O)C(O)1))(C#N)C'
p8455
tp8456
sI2819
(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)))'
p8457
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)))'
p8458
tp8459
sI2820
(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)))'
p8460
S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p8461
tp8462
sI2821
(S'CC(=O)CO'
p8463
S'CC([CH]=O)=O'
p8464
tp8465
sI2822
(S'C(#N=O)CC1(=CNC2(C=CC=CC1=2))'
p8466
S'C2(=C(C1(C=CC=CC=1N2))CC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO)'
p8467
tp8468
sI2823
(S'C1(C=C(O)C(=CC=1C(C[N+])O)O)'
p8469
S'COC1(=C(O)C=CC(C(O)C[N+])=C1)'
p8470
tp8471
sI2824
(S'CC1(C23(C(CC1)=C(C)C(C)(C)C(C2)CC3))'
p8472
S'CC1(C23(C(C(O)C1)=C(C)C(C)(C)C(C2)CC3))'
p8473
tp8474
sI2825
(S'CC2(C)(OC1(C)(CCC(CC(=O)O1)2))'
p8475
S'CC(=O)CCC1(CC(=O)OC(C)(C)1)'
p8476
tp8477
sI2826
(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'
p8478
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-]'
p8479
tp8480
sI2827
(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'
p8481
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'
p8482
tp8483
sI2828
(S'CCC(C)C(NO)C([O-])=O'
p8484
S'CCC(C)C(N(O)O)C([O-])=O'
p8485
tp8486
sI2829
(S'C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)'
p8487
S'CC(=CCC1(C(=CC(=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)O)[O-]))C'
p8488
tp8489
sI2830
(S'CSCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p8490
S'CS(=O)CCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p8491
tp8492
sI2831
(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))'
p8493
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))'
p8494
tp8495
sI2832
(S'CC([CH]=NO)C'
p8496
S'CC(C#N)C'
p8497
tp8498
sI2833
(S'C([O-])(=O)CC=CC(=O)C(=O)[O-]'
p8499
S'C=CCC(=O)C(=O)[O-]'
p8500
tp8501
sI2834
(S'COC1(=CC(=CC=C(O)1)C=CC2(=C(O)C(OC)=CC(C=CC([O-])=O)=C2))'
p8502
S'COC1(C(=CC=C([CH]=O)C=1)O)'
p8503
tp8504
sI2835
(S'CSCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p8505
S'CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p8506
tp8507
sI2836
(S'CC2(CCC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p8508
S'CC2(C(O)CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p8509
tp8510
sI2837
(S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p8511
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))'
p8512
tp8513
sI2838
(S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC(C([O-])=O)=C(N)1))O2)'
p8514
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)'
p8515
tp8516
sI2839
(S'CCC(O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p8517
S'CCC(OC)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p8518
tp8519
sI2840
(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)'
p8520
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)'
p8521
tp8522
sI2841
(S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C([O-])=2)=C(O)C=C(O)C=3)))'
p8523
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)))'
p8524
tp8525
sI2842
(S'CCOP(=S)([O-])OCC'
p8526
S'CCOP(=O)([O-])OCC'
p8527
tp8528
sI2843
(S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p8529
S'C1(NC2(N=C(NC(C(=N1)O)=2)O))'
p8530
tp8531
sI2844
(S'C(#N)[S-]'
p8532
S'C(=O)=S'
p8533
tp8534
sI2845
(S'CC(C([O-])=O)CSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p8535
S'C=CCSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p8536
tp8537
sI2846
(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))'
p8538
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)'
p8539
tp8540
sI2847
(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)'
p8541
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))))'
p8542
tp8543
sI2848
(S'COC3(=C(OC)C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)[O-]))'
p8544
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)))'
p8545
tp8546
sI2849
(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)))'
p8547
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)))))))'
p8548
tp8549
sI2850
(S'C(C1(C(=CC=CC=1)N))=O'
p8550
S'C1(ON=C2(C=1C=CC=C2))'
p8551
tp8552
sI2851
(S'CC2(CCC1(C)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p8553
S'CC2(CCC1(C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p8554
tp8555
sI2852
(S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC=C(C(I)=C2)O)))[N+])([O-])=O'
p8556
S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C=C2)O)))[N+])([O-])=O'
p8557
tp8558
sI2853
(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)'
p8559
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)'
p8560
tp8561
sI2854
(S'CC(C([O-])=O)CSCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p8562
S'CC(C([O-])=O)CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p8563
tp8564
sI2855
(S'CC(C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC=2C=3)C)))C'
p8565
S'CC(C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC=2C=3)C)))C'
p8566
tp8567
sI2856
(S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p8568
S'C1(N5([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC4(=C(C3(=C(OCO3)C=C4))C5)))'
p8569
tp8570
sI2857
(S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)([CH](CC=C23)CC(O)CC4))))'
p8571
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)(C(=CC=C23)CC(O)CC4))))'
p8572
tp8573
sI2858
(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'
p8574
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-])'
p8575
tp8576
sI2859
(S'C1(NC2(C(C(C[N+])=1)=CC=CC=2))'
p8577
S'C[N+]CC1(C2(C(NC=1)=CC=CC=2))'
p8578
tp8579
sI2860
(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))))'
p8580
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))))'
p8581
tp8582
sI2861
(S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p8583
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))'
p8584
tp8585
sI2862
(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)))'
p8586
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)))'
p8587
tp8588
sI2863
(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)))'
p8589
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)))'
p8590
tp8591
sI2864
(S'C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p8592
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-]'
p8593
tp8594
sI2865
(S'C1(NC=NC=1CC(CO)[N+])'
p8595
S'C1(NC=NC=1CC([CH]=O)[N+])'
p8596
tp8597
sI2866
(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'
p8598
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'
p8599
tp8600
sI2867
(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'
p8601
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(C)C)O)C))))C'
p8602
tp8603
sI2868
(S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p8604
S'CCC=CCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p8605
tp8606
sI2869
(S'C(=O)([O-])C(O)CS([O-])(=O)=O'
p8607
S'[O-]S([O-])=O'
p8608
tp8609
sI2870
(S'CCCO'
p8610
S'CC[CH]=O'
p8611
tp8612
sI2871
(S'COC1(=CC(C=CCO)=CC=C(O)1)'
p8613
S'COCC=CC1(C=C(OC)C(O)=CC=1)'
p8614
tp8615
sI2872
(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)))'
p8616
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)'
p8617
tp8618
sI2873
(S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C=O)CCCC34C)))'
p8619
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C(O)=O)CCCC34C)))'
p8620
tp8621
sI2874
(S'CC(C#N)C'
p8622
S'CC(O)(C)C#N'
p8623
tp8624
sI2875
(S'CSCCCC#N=O'
p8625
S'CSCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8626
tp8627
sI2876
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p8628
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)))'
p8629
tp8630
sI2877
(S'CN1(CC(=O)NC(=N)1)'
p8631
S'CNC(N)=[N+]'
p8632
tp8633
sI2878
(S'C(CO)C([N+])C([O-])=O'
p8634
S'C(CC([N+])C(=O)[O-])ON'
p8635
tp8636
sI2879
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p8637
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p8638
tp8639
sI2880
(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'
p8640
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'
p8641
tp8642
sI2881
(S'C(C1(=CC=CC2([CH]1NC3(C=CC=C(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p8643
S'C([O-])(=O)C1(C2(NC3(C=CC=C(C(NC(C=CC=1)=2)=3)C(=O)[O-])))'
p8644
tp8645
sI2882
(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'
p8646
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))))'
p8647
tp8648
sI2883
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(CO)C(O)CCC(C)1C=2CCC(C)34))))'
p8649
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))))'
p8650
tp8651
sI2884
(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'
p8652
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'
p8653
tp8654
sI2885
(S'COC1(C=CC(=CC=1)C2(OC3(C(OC)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p8655
S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(OC)C(O2)=3)OC)))'
p8656
tp8657
sI2886
(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))))))'
p8658
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))))))'
p8659
tp8660
sI2887
(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)))'
p8661
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)))'
p8662
tp8663
sI2888
(S'C=CC1(=CC(C([O-])=O)[N+]C1)'
p8664
S'CCCC1(CC(C([O-])=O)[N+]C1)'
p8665
tp8666
sI2889
(S'COC2(=CC(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p8667
S'COC2(=C(O)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p8668
tp8669
sI2890
(S'C(O)C(O)C([CH]1(OC(C([O-])=O)(O)CC(C1O)O))O'
p8670
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)'
p8671
tp8672
sI2891
(S'CN3(CCC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p8673
S'CN3(C(O)CC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p8674
tp8675
sI2892
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p8676
S'CC(C)=CCCC(C)=CCCC(C)=CCC(O)C=C(C)CCC=C(C)CCC=C(C)C'
p8677
tp8678
sI2893
(S'CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC6C(C(C(C(O6)C(=O)O)O)O)O'
p8679
S'CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O'
p8680
tp8681
sI2894
(S'C1(C=C(C(=CC=1)C(=O)[O-])C2(=CC=CC(=C(O)2)O))'
p8682
S'C1(C=C(C(C=CC=C(O)C(=O)[O-])=O)C(C(=O)[O-])=CC=1)'
p8683
tp8684
sI2895
(S'CC(=CCCC(=CCOC(C)=O)C)C'
p8685
S'CC(C)=CCCC(=CCO)C'
p8686
tp8687
sI2896
(S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p8688
S'C([O-])(=O)CC1(O)(C(=O)NC2(C=CC=CC1=2))'
p8689
tp8690
sI2897
(S'C(C(=O)CO)OP([O-])([O-])=O'
p8691
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)=O'
p8692
tp8693
sI2898
(S'COC4(C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C(C=4OC)OC)'
p8694
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))OC)'
p8695
tp8696
sI2899
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p8697
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p8698
tp8699
sI2900
(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)'
p8700
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)'
p8701
tp8702
sI2901
(S'CSCCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p8703
S'CSCCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p8704
tp8705
sI2902
(S'C1(C(=C(C([O-])=C(Cl)C(Cl)=1)Cl)Cl)Cl'
p8706
S'C1(C(=C(C(Cl)=C([O-])C(Cl)=1)Cl)[O-])Cl'
p8707
tp8708
sI2903
(S'CC1(=CC(O)=CC(C(=O)[O-])=C(O)1)'
p8709
S'CC(=CC(CC(=O)C([O-])=O)=O)C([O-])=O'
p8710
tp8711
sI2904
(S'C1(C=C2(C(=CC=1)C=CC=C2))'
p8712
S'C2(C=C1(C=CC(=CC1=CC=2)C([O-])=O))'
p8713
tp8714
sI2905
(S'C(NC(N)=O)([N+])C(=O)[O-]'
p8715
S'C(O)(C([O-])=O)NC(N)=O'
p8716
tp8717
sI2906
(S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(CO)C)O)C))))C'
p8718
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)))))'
p8719
tp8720
sI2907
(S'C2(C=CC1(=C(C=CN1)C=2))'
p8721
S'C2(C=CC1(NC(O)C(O)C=1C=2))'
p8722
tp8723
sI2908
(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))'
p8724
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))'
p8725
tp8726
sI2909
(S'CC34(C=CC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p8727
S'CC13(C(=O)CC[CH]1[CH]2(CCC4(C(C)(C2(O)CC3)C=CC(=O)C=4)))'
p8728
tp8729
sI2910
(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))'
p8730
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))'
p8731
tp8732
sI2911
(S'CC(C)=CCCC(=CCO)C'
p8733
S'C=CC(CCC=C(C)C)(O)C'
p8734
tp8735
sI2912
(S'CC1(=CC2(=C(C(O)=C1)C3(C(C(O)=C2)=C(O)C4(=C(C(O)=3)C=CC=C(O)4))))'
p8736
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))))'
p8737
tp8738
sI2913
(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))))'
p8739
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))))'
p8740
tp8741
sI2914
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p8742
S'COC(C=CC1(C=CC=CC=1))=O'
p8743
tp8744
sI2915
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C'
p8745
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C'
p8746
tp8747
sI2916
(S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC(OC)=O)C)C'
p8748
S'CC(C=CC=C(C=CC(OC)=O)C)=CC=CC=C(C=CC=C(C=CC(OC)=O)C)C'
p8749
tp8750
sI2917
(S'C1(=O)(CC[CH](N(CO)1)C2(C=NC=CC=2))'
p8751
S'C1(=O)(CC[CH](N1)C2(C=NC=CC=2))'
p8752
tp8753
sI2918
(S'C([N+])C([O-])=O'
p8754
S'C(=O)=O'
p8755
tp8756
sI2919
(S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p8757
S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p8758
tp8759
sI2920
(S'CSCCCCCCCC#N=O'
p8760
S'CSCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p8761
tp8762
sI2921
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p8763
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'
p8764
tp8765
sI2922
(S'C(C1(C(=CC=CC=1)N))=O'
p8766
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p8767
tp8768
sI2923
(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))'
p8769
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)'
p8770
tp8771
sI2924
(S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C=O)C))C'
p8772
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C([O-])=O)C))C'
p8773
tp8774
sI2925
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p8775
S'C(O)C1(OC(C(O)C(O)C(O)1)OC3(=CC2(C=CC(OC=2C=C(O)3)=O)))'
p8776
tp8777
sI2926
(S'C(C(C(C(C(CO)O)O)O)=O)([O-])=O'
p8778
S'C(OP([O-])(=O)[O-])C(C(C(C(C([O-])=O)=O)O)O)O'
p8779
tp8780
sI2927
(S'C([N+])CCCCNO'
p8781
S'C([N+])CCCCN(O)C(CCC([O-])=O)=O'
p8782
tp8783
sI2928
(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))))'
p8784
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))))'
p8785
tp8786
sI2929
(S'CN(C)C(=O)C(CC[N+]1(CCC(CC1)(C2=CC=C(C=C2)Cl)O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4'
p8787
S'CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4'
p8788
tp8789
sI2930
(S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(CO)=C)C))'
p8790
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)=C)C))'
p8791
tp8792
sI2931
(S'CC(=O)CC1(=CC2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p8793
S'CC(=O)CC1(=C(O)C2(C(O)=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p8794
tp8795
sI2932
(S'C2(=C(C(=O)CO)C1(C=CC=CC=1N2))'
p8796
S'C2(=C(C(=O)C=O)C1(C=CC=CC=1N2))'
p8797
tp8798
sI2933
(S'CC1(C=CC(=C(C=1)O)C([O-])=O)'
p8799
S'CC1(C=CC(O)=C(C=1)O)'
p8800
tp8801
sI2934
(S'CC(=C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p8802
S'CC(=C3(CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p8803
tp8804
sI2935
(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)))))'
p8805
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)))))'
p8806
tp8807
sI2936
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p8808
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p8809
tp8810
sI2937
(S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C)CCCC34C)))'
p8811
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C(O)=O)CCCC34C)))'
p8812
tp8813
sI2938
(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))))'
p8814
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))))'
p8815
tp8816
sI2939
(S'C1(C(N)=CC(=C(C=1)Cl)Cl)'
p8817
S'C1(C(=C(Cl)C=C(O)C(O)=1)Cl)'
p8818
tp8819
sI2940
(S'C(=O)([O-])C(=C(C([O-])=O)N)C=C[CH]=O'
p8820
S'C(C=C(C([O-])=O)N)=C[CH]=O'
p8821
tp8822
sI2941
(S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p8823
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))))'
p8824
tp8825
sI2942
(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'
p8826
S'CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(OCC[N+])([O-])=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C'
p8827
tp8828
sI2943
(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))))'
p8829
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))))'
p8830
tp8831
sI2944
(S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p8832
S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p8833
tp8834
sI2945
(S'C(CC(=O)C(=O)[O-])CC(=O)[O-]'
p8835
S'C([O-])(=O)CC=CC(=O)C(=O)[O-]'
p8836
tp8837
sI2946
(S'C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]'
p8838
S'C(=O)([O-])C(OP(=O)([O-])[O-])CO'
p8839
tp8840
sI2947
(S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C)C)C'
p8841
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'
p8842
tp8843
sI2948
(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))'
p8844
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))'
p8845
tp8846
sI2949
(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))))'
p8847
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'
p8848
tp8849
sI2950
(S'CC3(CC[CH]1(C(C)(C)CC2(C)(CC[CH](C(O)12)3)))'
p8850
S'CC2(CC(OC(C)=O)[CH]1(C(O)(C(C=O)(C)CC(C)(C)1)[CH](C=O)2))'
p8851
tp8852
sI2951
(S'C1(NC2(=CC=CC=C(C=1CC(NC(C(=O)[O-])CC([O-])=O)=O)2))'
p8853
S'C(NC(C(=O)[O-])CC([O-])=O)(=O)CC1(C(NC2(=CC=CC=C12))=O)'
p8854
tp8855
sI2952
(S'C(=O)([O-])C(=O)CC1(C=CC(O)CC=1)'
p8856
S'C(=O)([O-])C(=O)C=C1(C=CC(O)CC1)'
p8857
tp8858
sI2953
(S'CCCC(=O)C(=O)[O-]'
p8859
S'CCC[CH]=O'
p8860
tp8861
sI2954
(S'C(C1(C=CC(O)=CC=1))O'
p8862
S'[CH](C1(C=CC(O)=CC=1))=O'
p8863
tp8864
sI2955
(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)'
p8865
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)'
p8866
tp8867
sI2956
(S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(CO)=CC3)))'
p8868
S'C=C(C)C1(CCC2(C)([CH]1CCC3(C)([CH]2CCC(C)=CCCC(C=O)=CC3)))'
p8869
tp8870
sI2957
(S'CC1(C(=O)C([O-])=C(C)O1)'
p8871
S'CC2(OC(C)=C(OC1(C(O)C(O)C(O)C(CO)O1))C(=O)2)'
p8872
tp8873
sI2958
(S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p8874
S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CCC2=C3)C)C))C'
p8875
tp8876
sI2959
(S'CCCCCC1(=CC(=CC(=C1C([O-])=O)O)O)'
p8877
S'CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)'
p8878
tp8879
sI2960
(S'CC1(=CC(=C(C([O-])=O)Cl)OC(=O)1)'
p8880
S'CC(=CC(=O)C(C([O-])=O)Cl)C(=O)[O-]'
p8881
tp8882
sI2961
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p8883
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))=CC(=C(C=3)O)O)'
p8884
tp8885
sI2962
(S'COC2(C3(C(C1(C(OC)=CC4(O[CH]5(OCC[CH](C(C=1OC(C=CC=2)=3)=4)5))))=O))'
p8886
S'COC1(=C4(C(=C2([CH]3(CCO[CH](OC(=C1)2)3)))OC(=O)C5(C(CCC4=5)=O)))'
p8887
tp8888
sI2963
(S'C(C(C1(C=CC(=CC=1)O))O)[N+]'
p8889
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p8890
tp8891
sI2964
(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))))'
p8892
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))))'
p8893
tp8894
sI2965
(S'C1(CCC(CC1)O)'
p8895
S'C1(CCC(CC1)=O)'
p8896
tp8897
sI2966
(S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C([O-])=O)C)C))'
p8898
S'CC2([CH]1(CCC(C)(OO)C=C1[CH](CC2)C(C([O-])=O)C))'
p8899
tp8900
sI2967
(S'CSCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p8901
S'CSCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p8902
tp8903
sI2968
(S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p8904
S'C1(O)(C(O)C(O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p8905
tp8906
sI2969
(S'C[N+](CCOS(=O)(=O)[O-])(C)C'
p8907
S'C(CO)[N+](C)(C)C'
p8908
tp8909
sI2970
(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)'
p8910
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)'
p8911
tp8912
sI2971
(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'
p8913
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'
p8914
tp8915
sI2972
(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)))'
p8916
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))))'
p8917
tp8918
sI2973
(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'
p8919
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'
p8920
tp8921
sI2974
(S'CCC(C)C(=O)C([O-])=O'
p8922
S'CCC(C)[CH]=O'
p8923
tp8924
sI2975
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C1)'
p8925
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C([N+])C1)'
p8926
tp8927
sI2976
(S'C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CF'
p8928
S'C(F)[CH]=O'
p8929
tp8930
sI2977
(S'[O-][Se](=O)[O-]'
p8931
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-]'
p8932
tp8933
sI2978
(S'CC(=CCOP([O-])(=O)OP([O-])([O-])=O)CC[CH]1(C2(CCCC(C)(C)[CH](CCC(=C)1)2)C)'
p8934
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CCC3)))'
p8935
tp8936
sI2979
(S'CC2(C)(S[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C(C(=O)[O-])2))'
p8937
S'CC2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p8938
tp8939
sI2980
(S'CC1(C=CC(Cl)=C(Cl)C=1)'
p8940
S'CC1(C(O)C(O)C(Cl)=C(Cl)C=1)'
p8941
tp8942
sI2981
(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)'
p8943
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)'
p8944
tp8945
sI2982
(S'CC1(C(O)=C(O)C=C(Cl)C=1)'
p8946
S'CC(=CC(Cl)=CC([O-])=O)C([O-])=O'
p8947
tp8948
sI2983
(S'CC(C)=CCCC(C)=CCCC1(OC1CC3(C2(C=CC=CC=2[N+](=C(C)C(O)=3)[O-])))(C)'
p8949
S'CC(C)=CCCC(C)=CCCC(O)(C)[CH]3(CC2(C1(=CC=CC=C1[N+](=C(C)C=2O3)[O-])))'
p8950
tp8951
sI2984
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p8952
S'C1(NC2(=C(C(CC(=O)NC(CCC([O-])=O)C([O-])=O)=1)C=CC=C2))'
p8953
tp8954
sI2985
(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))))'
p8955
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))))'
p8956
tp8957
sI2986
(S'CC=CC1(C=C(OC)C=CC(O)=1)'
p8958
S'CCC(C)C(=O)OC2(C=CC(OC)=CC(C1(OC(C)1))=2)'
p8959
tp8960
sI2987
(S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p8961
S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p8962
tp8963
sI2988
(S'CC1(C=C(C=C(C=1)O)O)'
p8964
S'CC1(C(=C(C=C(C=1)O)O)O)'
p8965
tp8966
sI2989
(S'CC1(C=CC=C(Cl)C=1)'
p8967
S'C(O)C1(C=CC=C(Cl)C=1)'
p8968
tp8969
sI2990
(S'C(=O)C=CC1(=CC=C(O)C(O)=C1)'
p8970
S'[CH](=O)C=CC([CH]=O)=CC=C(O)C([O-])=O'
p8971
tp8972
sI2991
(S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p8973
S'C(CC(=O)[O-])C(C(N)=O)=O'
p8974
tp8975
sI2992
(S'C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))'
p8976
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p8977
tp8978
sI2993
(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))'
p8979
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))'
p8980
tp8981
sI2994
(S'C=CC1(C)(CC2(=CCC3(C(C)(C=O)CCCC(C)(C(CC1)2)3)))'
p8982
S'C=CC1(C)(CC2(=CCC3(C(C)(C(=O)[O-])CCCC(C)([CH](CC1)2)3)))'
p8983
tp8984
sI2995
(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'
p8985
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'
p8986
tp8987
sI2996
(S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)([CH]=O)C'
p8988
S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(C([O-])=O)C'
p8989
tp8990
sI2997
(S'C(C(=O)CO)OP([O-])([O-])=O'
p8991
S'C(O)C([N+])COP(=O)([O-])[O-]'
p8992
tp8993
sI2998
(S'C1(C=CC(O)=C(C=CC(=O)C(=O)[O-])C=1)'
p8994
S'C1(C=CC(O)=C(C=O)C=1)'
p8995
tp8996
sI2999
(S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p8997
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+]))'
p8998
tp8999
sI3000
(S'C(=O)([O-])C=CC1(C(O)=CC(O)=CC=1)'
p9000
S'C2(C1(=C(OC(=O)C=C1)C=C(O)C=2))'
p9001
tp9002
sI3001
(S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p9003
S'COC1(=CC(C=CC=O)=CC(O)=C(O)1)'
p9004
tp9005
sI3002
(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-]'
p9006
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)))'
p9007
tp9008
sI3003
(S'CC2(CCC1(COC(=O)C)(C4(C(O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p9009
S'CC2(CCC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p9010
tp9011
sI3004
(S'N#N=O'
p9012
S'N#N'
p9013
tp9014
sI3005
(S'C1(C(=O)CC(O)CC=1O)'
p9015
S'CC(CC(CC(=O)[O-])O)=O'
p9016
tp9017
sI3006
(S'CC1(C=CC=CC=1)'
p9018
S'CC1(=CC=CC(C(O)1)O)'
p9019
tp9020
sI3007
(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)'
p9021
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)'
p9022
tp9023
sI3008
(S'CC2(=CC1(=C(C=CC(C1O)O)NC2=O))'
p9024
S'CC2(=CC1(C(=CC=C(C=1O)O)NC2=O))'
p9025
tp9026
sI3009
(S'C(CO)C([N+])C([O-])=O'
p9027
S'C(COP([O-])(=O)[O-])C([N+])C([O-])=O'
p9028
tp9029
sI3010
(S'CC(C)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p9030
S'CC(CO)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p9031
tp9032
sI3011
(S'C(CC([O-])=O)SCCC([O-])=O'
p9033
S'C(CC([O-])=O)S'
p9034
tp9035
sI3012
(S'C([N+])CCC[N+]'
p9036
S'C([N+])CCCNC(=O)CCC([N+])C(=O)[O-]'
p9037
tp9038
sI3013
(S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CC[PH](=O)[O-])NC(C)=O'
p9039
S'CC(C(=O)NC(C)C(=O)[O-])NC(=O)C(CCP([O-])(C)=O)NC(C)=O'
p9040
tp9041
sI3014
(S'CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p9042
S'CSCCCCCCCCC(=O)C([O-])=O'
p9043
tp9044
sI3015
(S'C(CCC(NC(=O)CCC([O-])=O)C(=O)[O-])NC(=[N+])N'
p9045
S'C(CCC(C([O-])=O)NC(=O)CCC([O-])=O)[N+]'
p9046
tp9047
sI3016
(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)'
p9048
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'
p9049
tp9050
sI3017
(S'CC1(=CC(=C(C=C1)O)C([O-])=O)'
p9051
S'CC1(C=CC(O)=C(C=1)O)'
p9052
tp9053
sI3018
(S'C1(CC(=NC(C1)C([O-])=O)C([O-])=O)'
p9054
S'C1(C(O)CC(=NC1C([O-])=O)C([O-])=O)'
p9055
tp9056
sI3019
(S'CCC15(C4(C2(C(C(C(OC)=O)(C1)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p9057
S'CCC15(C4(C2(C(C(C(OC)=O)(C1O)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p9058
tp9059
sI3020
(S'CC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))CCC3(OC(C)(C)3)'
p9060
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)))))'
p9061
tp9062
sI3021
(S'CC1(N=CC(=C(C=1O)C=O)CO)'
p9063
S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p9064
tp9065
sI3022
(S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(C5(C(NC=4)=CC=CC=5)))'
p9066
S'CC2(NC(=O)C(N1(C(=O)C3(C(N=C12)=CC=CC=3)))CC4(O)(C5(C([N+]=C4)=CC=CC=5)))'
p9067
tp9068
sI3023
(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)'
p9069
S'CC(=O)NC2(C(O)OC(CO)C(O)C(OC1(OC(C([O-])=O)=CC(O)C(O)1))2)'
p9070
tp9071
sI3024
(S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p9072
S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p9073
tp9074
sI3025
(S'C[N+](CCOP([O-])([O-])=O)C'
p9075
S'C[N+](C)CCOP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2))'
p9076
tp9077
sI3026
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p9078
S'CCCCCC=CCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p9079
tp9080
sI3027
(S'CC1(CC[CH]2(C(=COC(O)[CH]12)C=O))'
p9081
S'CC1(CC[CH]2(C(=COC(O)[CH]12)C(=O)[O-]))'
p9082
tp9083
sI3028
(S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p9084
S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p9085
tp9086
sI3029
(S'CC(O)(C)C1(OC3(C2(OC(C1)2)C4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p9087
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))))))'
p9088
tp9089
sI3030
(S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1CC=C2C3)C))C'
p9090
S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1C(O)C=C2C3)C))C'
p9091
tp9092
sI3031
(S'CC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])(=O)[O-]'
p9093
S'CC(C)=CCCC1(C)(C2(C[CH]3(C(C)1[CH](C2)3)))'
p9094
tp9095
sI3032
(S'C(S(=O)(=O)[O-])CS(=O)(=O)[O-]'
p9096
S'[CH](=O)CS([O-])(=O)=O'
p9097
tp9098
sI3033
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)S([O-])(=O)=O'
p9099
S'C(=O)([O-])C(=O)CC(O)C(O)CS(=O)(=O)[O-]'
p9100
tp9101
sI3034
(S'CC1(C=CC=C(Cl)C=1)'
p9102
S'CC1(=CC(Cl)=CC(O)C(O)1)'
p9103
tp9104
sI3035
(S'C1(C=C(O)C=CC=1C3(C(C2(C(=CC(O)=CC(O)=2)OC(O)3))=O))'
p9105
S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p9106
tp9107
sI3036
(S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(O)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p9108
S'C2(C5(=C6(OCOC(=CC(OC)=C(C1(=CC(OC)=C3(C=C4(OCOC(=CC(=C1N(C)2)3)4))))5)6)))'
p9109
tp9110
sI3037
(S'CC1(CCC3(C(C([O-])=O)=CC2(CC(C)(C)CC123)))'
p9111
S'CC1(CCC3(C(C([O-])=O)=CC2(C(O)C(C)(C)CC123)))'
p9112
tp9113
sI3038
(S'CCC(C=C(C=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2))C)C'
p9114
S'CCC(C=C(C=CC(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=CC=2)))C)C'
p9115
tp9116
sI3039
(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'
p9117
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'
p9118
tp9119
sI3040
(S'C([O-])(=O)C1(C=CC([N+]([O-])=O)=CC=1)'
p9120
S'C(=O)([O-])C1(C=CC(NO)=CC=1)'
p9121
tp9122
sI3041
(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'
p9123
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'
p9124
tp9125
sI3042
(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)'
p9126
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)'
p9127
tp9128
sI3043
(S'CCCCCCC(=O)C([O-])=O'
p9129
S'C(O)CCCCCC([N+])C([O-])=O'
p9130
tp9131
sI3044
(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))'
p9132
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))'
p9133
tp9134
sI3045
(S'C(NC(N)=[N+])CCC(=O)N'
p9135
S'C([O-])(=O)CCCNC(=[N+])N'
p9136
tp9137
sI3046
(S'CCCCCCCCCCCC([O-])=O'
p9138
S'CCCCCC(O)CCCCCC([O-])=O'
p9139
tp9140
sI3047
(S'C(=O)C1(=CC=CC=C1)'
p9141
S'C(=O)(C1(O)(C=CCCC(=O)1))[O-]'
p9142
tp9143
sI3048
(S'C1(C=CC(=CC=1)C2(C=CC=CC=2O))'
p9144
S'C1(C=CC(=CC=1)C2(=CC=CC(O)=C(O)2))'
p9145
tp9146
sI3049
(S'C[Se+](C)CCC=O'
p9147
S'C[Se+](C)CCC(=O)[O-]'
p9148
tp9149
sI3050
(S'C1([N+]C(C2(C(C1)=CC(=C(C=2)O)O))CC3(=CC(=C(O)C=C3)O))'
p9150
S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p9151
tp9152
sI3051
(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'
p9153
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'
p9154
tp9155
sI3052
(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)'
p9156
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))'
p9157
tp9158
sI3053
(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)'
p9159
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'
p9160
tp9161
sI3054
(S'C=CC(CCC=C(C)C)=C'
p9162
S'C=CC(=C)CC(O)C=C(C)C'
p9163
tp9164
sI3055
(S'C1(=NC=NC2(NC=NC1=2))'
p9165
S'C2(N=CC1(=C(N=C(O)N1)N=2))'
p9166
tp9167
sI3056
(S'CC(=CCCC(=CCOC1(C(C(C(O)C(O1)COC2(C(C(O)C(CO2)O)O))O)O))C)C'
p9168
S'CC(C)=CCCC(=CCO)C'
p9169
tp9170
sI3057
(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'
p9171
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'
p9172
tp9173
sI3058
(S'C1(CC2(C(N1)=CC=CC=2))(=O)'
p9174
S'C1(C=CC2(NC(=O)C(O)C(C=1)=2))'
p9175
tp9176
sI3059
(S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)O)O))(CC5))))'
p9177
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(C=C4)=O)O))(CC5))))'
p9178
tp9179
sI3060
(S'C(C(C(C(C(COP([O-])([O-])=O)O)O)O)O)O'
p9180
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p9181
tp9182
sI3061
(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)'
p9183
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)'
p9184
tp9185
sI3062
(S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p9186
S'COC3(=C(OC)C=C1(C(C([N+](CC1)C)CC2(=CC(=C(OC)C=C2)O))=C3))'
p9187
tp9188
sI3063
(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)))))'
p9189
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)))))'
p9190
tp9191
sI3064
(S'C1(=CC(O)=CC=C1C(=O)[C-]C(=O)C2(=C(O)C=C(O)C=C(O)2))'
p9192
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))'
p9193
tp9194
sI3065
(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)'
p9195
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)'
p9196
tp9197
sI3066
(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'
p9198
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C'
p9199
tp9200
sI3067
(S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p9201
S'C1(C=C(C(N)=C(O)C=1)C([O-])=O)'
p9202
tp9203
sI3068
(S'CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)'
p9204
S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p9205
tp9206
sI3069
(S'CCCCCC(=O)C1(=C(O)C2(=C(C=C([O-])1)CC3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p9207
S'CCCCCC(=O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p9208
tp9209
sI3070
(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)'
p9210
S'C(C(C1(C=CC=CC=1))O)#N'
p9211
tp9212
sI3071
(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))))'
p9213
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))))'
p9214
tp9215
sI3072
(S'CC4(C)(OC3(C=CC5(C(=O)[CH]1([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C=C4)=5))))'
p9216
S'CC4(C)(OC3(C=CC5(C(=O)C1(O)([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C=C4)=5))))'
p9217
tp9218
sI3073
(S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p9219
S'CC(C)CC(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p9220
tp9221
sI3074
(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)))'
p9222
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C(=O)NC2(C(=O)NC(N)=NC=23)))'
p9223
tp9224
sI3075
(S'CC2(C(O)C(O)C(OC)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p9225
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)'
p9226
tp9227
sI3076
(S'[CH](=O)C(C(C(C(CO)O)O)O)=O'
p9228
S'C(O)C(O)C1(C(O)C(=O)C(O)O1)'
p9229
tp9230
sI3077
(S'CC(CO)O'
p9231
S'CC(=O)CO'
p9232
tp9233
sI3078
(S'C([O-])(=O)C1(C=CC(N)=C(O)C=1)'
p9234
S'[CH](=O)C(C(=O)[O-])=CC=C(N)C(=O)[O-]'
p9235
tp9236
sI3079
(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))))'
p9237
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))))))'
p9238
tp9239
sI3080
(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)'
p9240
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)'
p9241
tp9242
sI3081
(S'CC([N+])C(=O)NC(CCC(=O)NC(C([O-])=O)CCCC([N+])C(=O)[O-])C(=O)[O-]'
p9243
S'CC([N+])C(=O)NC(CCC(=O)[O-])C(=O)[O-]'
p9244
tp9245
sI3082
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p9246
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)'
p9247
tp9248
sI3083
(S'C12(NC(=O)NC(C=1N=CN2)=O)'
p9249
S'C1(=NC(C(=O)[O-])=C(NC(=O)N)N1)'
p9250
tp9251
sI3084
(S'CC(OP([O-])([O-])=O)C([N+])C([O-])=O'
p9252
S'CC(C[N+])OP(=O)([O-])[O-]'
p9253
tp9254
sI3085
(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))'
p9255
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'
p9256
tp9257
sI3086
(S'CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)'
p9258
S'CC([N+]C(C)(C)CO)C(=O)C1(C=CC=C(Cl)C=1)'
p9259
tp9260
sI3087
(S'CC1(C=CC(O)=C(C=1)O)'
p9261
S'CC(C=CC([O-])=O)=CC([O-])=O'
p9262
tp9263
sI3088
(S'C(CCO)O'
p9264
S'C(C=O)CO'
p9265
tp9266
sI3089
(S'C(NC1(N=C(NC(=O)C(N)=1)N))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p9267
S'C(C2(C(O)C(O)C(NC1(=C(N)C(=O)NC(=N1)N))O2))OP(=O)([O-])[O-]'
p9268
tp9269
sI3090
(S'C1(C(CC(C([O-])=O)O)=CC=C(C=1)O)'
p9270
S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p9271
tp9272
sI3091
(S'C[N+]CCCC(=O)C1(=CC=C(O)N=C1)'
p9273
S'[CH](=O)CCC(=O)C1(C=CC(O)=NC=1)'
p9274
tp9275
sI3092
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(O)CC3)))CC4)))C'
p9276
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)CC(=O)CC3)))CC4)))C'
p9277
tp9278
sI3093
(S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1CO)=2))'
p9279
S'CC3(O)(OCC2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C3)))'
p9280
tp9281
sI3094
(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))))'
p9282
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)'
p9283
tp9284
sI3095
(S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))'
p9285
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))'
p9286
tp9287
sI3096
(S'CC1(C=CC=C(C=1)C)'
p9288
S'CC1(=CC=CC(CC(CC(=O)[O-])C([O-])=O)=C1)'
p9289
tp9290
sI3097
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p9291
S'C1(=CC=C(C(C([O-])=O)=N1)C([O-])=O)'
p9292
tp9293
sI3098
(S'CC(=O)CO'
p9294
S'CC(OCO)=O'
p9295
tp9296
sI3099
(S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C12(OC(C(CCO)NC(=O)1)2))C)C'
p9297
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'
p9298
tp9299
sI3100
(S'CC1(=NC(=C(C[N+])C=N1)N)'
p9300
S'CC1(N=C(C(=CN=1)CO)N)'
p9301
tp9302
sI3101
(S'CC1(C=CC(=CC=1)[N+](=O)[O-])'
p9303
S'CC1(C=CC(=CC=1)NO)'
p9304
tp9305
sI3102
(S'C1(N=CC(C(=O)N)=CC=1)'
p9306
S'C1(=CC=C(C([O-])=O)C=N1)'
p9307
tp9308
sI3103
(S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(C1=CC(CC([N+])C([O-])=O)=CC=2))'
p9309
S'C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(O)C(=O)2))'
p9310
tp9311
sI3104
(S'C(=O)([O-])C(S)CC(=O)[O-]'
p9312
S'C(=O)([O-])CC(S(=O)[O-])C(=O)[O-]'
p9313
tp9314
sI3105
(S'COC2(C=CC1(=C(N=CN1)C=2))'
p9315
S'CC2(=CC1(=C(N=CN1)C=C2OC))'
p9316
tp9317
sI3106
(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'
p9318
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'
p9319
tp9320
sI3107
(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'
p9321
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'
p9322
tp9323
sI3108
(S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p9324
S'C(O)C2(OC(OC1(=CC=C(O)C(C(=O)[O-])=C1))C(O)C(O)C(O)2)'
p9325
tp9326
sI3109
(S'CC(C=CC=C([CH]=O)C)=CC=CC=C(C=CC=C([CH]=O)C)C'
p9327
S'CC(=CC=CC=C(C)C=CC=C(C)C(=O)[O-])C=CC=C(C)C(=O)[O-]'
p9328
tp9329
sI3110
(S'CC(C)=CCCC(C)[CH]3(CCC4(C)([CH]1(CC[CH]5(C(C)(C)C(O)CCC2(CC12CCC(C)34)5))))'
p9330
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))))'
p9331
tp9332
sI3111
(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'
p9333
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'
p9334
tp9335
sI3112
(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'
p9336
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'
p9337
tp9338
sI3113
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p9339
S'C(C=CC1(=CC=CC(C(O)1)O))(=O)[O-]'
p9340
tp9341
sI3114
(S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=CC=CC=1))C)C)C)C)C)C'
p9342
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C'
p9343
tp9344
sI3115
(S'CC2(=CC1(=C(N=CN1)C=C2OC))'
p9345
S'CC2(C(C)=CC1(=C(N=CN1)C=2))'
p9346
tp9347
sI3116
(S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p9348
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-])'
p9349
tp9350
sI3117
(S'COC1(=CC(C=CCO)=CC=C(O)1)'
p9351
S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p9352
tp9353
sI3118
(S'CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)'
p9354
S'CCCCCC1(=CC2(OC(CCC=C(C)C)(C=CC(C(=C1C([O-])=O)O)=2)C))'
p9355
tp9356
sI3119
(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'
p9357
S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C=CC=O)C'
p9358
tp9359
sI3120
(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)))'
p9360
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)))'
p9361
tp9362
sI3121
(S'C(C1(=CC=CC2(C1=NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p9363
S'C[N+]1(=C3(C=CC=C(C(=NC2(C=CC=CC1=2))3)C(=O)[O-]))'
p9364
tp9365
sI3122
(S'C([O-])(=O)CC(C([O-])=O)(O)CCCC(=O)[O-]'
p9366
S'C(=O)([O-])CCCC(C([O-])=O)=CC(=O)[O-]'
p9367
tp9368
sI3123
(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))))'
p9369
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)'
p9370
tp9371
sI3124
(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'
p9372
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'
p9373
tp9374
sI3125
(S'CCC(O)CC(=O)C(=O)[O-]'
p9375
S'CC[CH]=O'
p9376
tp9377
sI3126
(S'CC1(CCC(C)(CC=1)C3(C)(CCC(O)C2(OC2)3))'
p9378
S'CC1(CCC(C)(C(O)C=1)C3(C)(CCC(O)C2(OC2)3))'
p9379
tp9380
sI3127
(S'C1(=NC=NC2(NC=NC1=2))'
p9381
S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p9382
tp9383
sI3128
(S'COC1(=C(O)C(OC)=CC(C([O-])=O)=C1)'
p9384
S'COC1(=C(C(=CC(=C1)C([O-])=O)O)O)'
p9385
tp9386
sI3129
(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)))'
p9387
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)))'
p9388
tp9389
sI3130
(S'COC5(C=C2(C([CH]1([CH](OC=C1)O2))=C4(OC3(C(=C(C=CC=3)O)C(=O)C4=5))))'
p9390
S'COC5(=C1(C(OC4(C(C1=O)=C(C=C2(C([CH]3([CH](O2)OC=C3))=4))OC))=CC=C5))'
p9391
tp9392
sI3131
(S'C(C1(=CC=CC=C1O))([O-])=O'
p9393
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'
p9394
tp9395
sI3132
(S'CSCCC([O-])=O'
p9396
S'C(CC([O-])=O)S'
p9397
tp9398
sI3133
(S'C1(C=CC(=CC=1)CC(=NOS(=O)(=O)[O-])[S-])'
p9399
S'C1(C=CC(=CC=1)CC#N)'
p9400
tp9401
sI3134
(S'CSCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p9402
S'CSCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p9403
tp9404
sI3135
(S'CC4(C3(CCC2(C1(CCCC(C1CCC2(C3)C=4)(C)C)C)))'
p9405
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3C=C4C([O-])=O)))C)C'
p9406
tp9407
sI3136
(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'
p9408
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'
p9409
tp9410
sI3137
(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)'
p9411
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)'
p9412
tp9413
sI3138
(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'
p9414
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'
p9415
tp9416
sI3139
(S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)C(C)C([O-])=O'
p9417
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCC=C(C)C(=O)CC'
p9418
tp9419
sI3140
(S'C(CCC(C(=O)[O-])[N+])(NC1(O)(C(O)C=CC=C1))=O'
p9420
S'C1(C=CC([N+])(C(C=1)O)O)'
p9421
tp9422
sI3141
(S'CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))'
p9423
S'CC(=CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))CO'
p9424
tp9425
sI3142
(S'C(CC([N+])C(=O)[O-])ON'
p9426
S'C(CC(C(=O)[O-])[N+])ONC(N)=O'
p9427
tp9428
sI3143
(S'C(OP([O-])([O-])=O)C1(OC(O)C(O)C([N+])C(O)1)'
p9429
S'C(O)C1(C(O)C([N+])C(O)C(O)O1)'
p9430
tp9431
sI3144
(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'
p9432
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'
p9433
tp9434
sI3145
(S'CCCCC1(=CN=C(C(=O)[O-])C=C1)'
p9435
S'C=CCCC1(=CN=C(C(=O)[O-])C=C1)'
p9436
tp9437
sI3146
(S'C1(=C(C(C=C(Cl)C(Cl)1)Cl)Cl)'
p9438
S'C1(C(Cl)=CC(=C(C=1)Cl)Cl)'
p9439
tp9440
sI3147
(S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p9441
S'COC1(=CC(CCC=O)=CC=C(O)1)'
p9442
tp9443
sI3148
(S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p9444
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)'
p9445
tp9446
sI3149
(S'CSCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p9447
S'CSCCCCCCC(=O)C([O-])=O'
p9448
tp9449
sI3150
(S'[CH](=O)CS([O-])(=O)=O'
p9450
S'C1(SC(CS(=O)(=O)[O-])NC1C(=O)[O-])'
p9451
tp9452
sI3151
(S'CC45(CCC(O)CC(CCC3(C(CCC2(C)(C(C1(COC(=O)C=1))CCC(O)23))4))5)'
p9453
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))))'
p9454
tp9455
sI3152
(S'C[N+](CC([O-])=O)C'
p9456
S'C[N+](C)(CC([O-])=O)C'
p9457
tp9458
sI3153
(S'C=C(C1(CCC(=CC1)C))C'
p9459
S'C=C(C)C1(CCC(C)=CC(O)1)'
p9460
tp9461
sI3154
(S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p9462
S'C1(O)(C(O)C(O)C(OP([O-])(=O)[O-])C(O)C(O)1)'
p9463
tp9464
sI3155
(S'C(C1(C(=O)N=CN1))CC(=O)[O-]'
p9465
S'C(C1(C(=O)NC(=O)N1))CC(=O)[O-]'
p9466
tp9467
sI3156
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p9468
S'C(C=CC1(=CC=CC=C1))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p9469
tp9470
sI3157
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(O)=3)[O-]))'
p9471
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C=2[O-])=C(O)C(OC)=C(O)C=3)))'
p9472
tp9473
sI3158
(S'CC1(C(=C(C(COP([O-])([O-])=O)=CN=1)C[N+])O)'
p9474
S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p9475
tp9476
sI3159
(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)'
p9477
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)'
p9478
tp9479
sI3160
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p9480
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CC=CCCCCCCCCCCCC)COP(=O)([O-])OCC(CO)O'
p9481
tp9482
sI3161
(S'C(NC(N)=[N+])CCC(=[N+])C([O-])=O'
p9483
S'C(C(CCCNC(N)=[N+])=O)(=O)[O-]'
p9484
tp9485
sI3162
(S'C(C1(C=CC=CC=1))([O-])=O'
p9486
S'CC(=O)C(=O)C1(=CC=CC=C1)'
p9487
tp9488
sI3163
(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))'
p9489
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-])'
p9490
tp9491
sI3164
(S'C(CC([N+])C([O-])=O)[CH]=O'
p9492
S'C(CCC(C(=O)[O-])[N+])(OP([O-])(=O)[O-])=O'
p9493
tp9494
sI3165
(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)'
p9495
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'
p9496
tp9497
sI3166
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p9498
S'C(OP([O-])(=O)[O-])C2(C(O)C(O)C(N1(C=NC(C(=O)N)=C(NC=O)1))O2)'
p9499
tp9500
sI3167
(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))))'
p9501
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p9502
tp9503
sI3168
(S'C2(NC1(C=CC=CC=1C(CC(N(O)O)C(=O)[O-])=2))'
p9504
S'C(=NO)CC2(=CNC1(=C(C=CC=C1)2))'
p9505
tp9506
sI3169
(S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p9507
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)'
p9508
tp9509
sI3170
(S'CC1(C(NC(=O)NC1)=O)'
p9510
S'CC(CNC(N)=O)C(=O)[O-]'
p9511
tp9512
sI3171
(S'C(=O)([O-])C([N+])CC(O)CP(=O)([O-])O'
p9513
S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p9514
tp9515
sI3172
(S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(C=C(I)C(O)=C(I)C=2))'
p9516
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=C(I)C=2))'
p9517
tp9518
sI3173
(S'C(=O)([O-])C(O)C(O)C(O)CCl'
p9519
S'C(=O)([O-])C(=O)CC(O)CCl'
p9520
tp9521
sI3174
(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)))'
p9522
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)))'
p9523
tp9524
sI3175
(S'CC([N+])C(O)C1(C=CC=CC=1)'
p9525
S'CC(NC)C(O)C1(C=CC=CC=1)'
p9526
tp9527
sI3176
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p9528
S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p9529
tp9530
sI3177
(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)'
p9531
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)'
p9532
tp9533
sI3178
(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))))'
p9534
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))))'
p9535
tp9536
sI3179
(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)'
p9537
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)'
p9538
tp9539
sI3180
(S'CN(CC(=O)[O-])C(N)=O'
p9540
S'C[N+]CC(=O)[O-]'
p9541
tp9542
sI3181
(S'COC2(C=CC1(=C(C(CC=O)=CN1)C=2))'
p9543
S'COC2(C=CC1(=C(C(CC(O)=O)=CN1)C=2))'
p9544
tp9545
sI3182
(S'C1(C=C(C=CC=1C2(OC3(C(C(C2)O)=C(O)C=C(O)C=3)))O)'
p9546
S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p9547
tp9548
sI3183
(S'CSCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p9549
S'CSCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p9550
tp9551
sI3184
(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))'
p9552
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'
p9553
tp9554
sI3185
(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))))'
p9555
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))))'
p9556
tp9557
sI3186
(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))'
p9558
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))'
p9559
tp9560
sI3187
(S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))OC)'
p9561
S'COC2(C(=CC3(OC[CH]4(OC1(C(=CC=C(C=1)O)C([CH](C(C=2)=3)4)=O))))OC)'
p9562
tp9563
sI3188
(S'CC1(CC[CH]2(C(CCC(O)CC(O)CC([O-])=O)C(C)C(O)C=C(C1)2))'
p9564
S'CC2(C=C1(C=CC(C)C(CCC(O)CC(O)CC([O-])=O)[CH]1CC2))'
p9565
tp9566
sI3189
(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)'
p9567
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)'
p9568
tp9569
sI3190
(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))'
p9570
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)))))'
p9571
tp9572
sI3191
(S'[C-]#[O+]'
p9573
S'C(=O)=O'
p9574
tp9575
sI3192
(S'C1(=CC=C(C([O-])=O)C=N1)'
p9576
S'C1(CC=C(C([O-])=O)CN=1)'
p9577
tp9578
sI3193
(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)'
p9579
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)))))'
p9580
tp9581
sI3194
(S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)O))C(OC3)=O))'
p9582
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)OC))C(OC3)=O))'
p9583
tp9584
sI3195
(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'
p9585
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'
p9586
tp9587
sI3196
(S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))'
p9588
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))))'
p9589
tp9590
sI3197
(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))))'
p9591
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))))'
p9592
tp9593
sI3198
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p9594
S'C(=O)([O-])C1(=CC(O)(Cl)[CH](O)C=C1)'
p9595
tp9596
sI3199
(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'
p9597
S'C(O)C1(C(O)C(O)C(O)C(OP([O-])([O-])=O)O1)'
p9598
tp9599
sI3200
(S'CC(=O)NCCCC[N+]'
p9600
S'CC(NCCC[CH]=O)=O'
p9601
tp9602
sI3201
(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)))'
p9603
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)))'
p9604
tp9605
sI3202
(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)))'
p9606
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)))'
p9607
tp9608
sI3203
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)C(=O)O1)'
p9609
S'C(C(C(C(C(C([O-])=O)O)O)O)O)OP([O-])([O-])=O'
p9610
tp9611
sI3204
(S'C=C(C(=O)[O-])OC1(C([N+])C=CC(C([O-])=O)=C1)'
p9612
S'C(=O)([O-])C1(C=CC(=CC=1)N)'
p9613
tp9614
sI3205
(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)))'
p9615
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-]))'
p9616
tp9617
sI3206
(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)))'
p9618
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)))'
p9619
tp9620
sI3207
(S'CC1(C(=CCOP([O-])(=O)[O-])SC(C(=O)[O-])N=1)'
p9621
S'CC1(=C(CCOP([O-])(=O)[O-])SC(C(=O)[O-])=N1)'
p9622
tp9623
sI3208
(S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(CO)C)O)C))))C'
p9624
S'CC3(CC4(C2(=CCC5(C1(CCC(C(C1CCC(C2(CCC(C(C3)O)4C)C)5C)(CO)C)O)C))))C'
p9625
tp9626
sI3209
(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-]))'
p9627
S'CC(=O)NC1(C(O)C(C(COP([O-])(=O)[O-])OC1OC2(C(O)C(C(O)OC(CO)2)[N+]))O)'
p9628
tp9629
sI3210
(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)))'
p9630
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)))'
p9631
tp9632
sI3211
(S'C[N+]CCOP([O-])([O-])=O'
p9633
S'C(COP(=O)([O-])OP(=O)([O-])OCC1(OC(C(O)C(O)1)N2(C=CC(N)=NC(=O)2)))[N+]C'
p9634
tp9635
sI3212
(S'CC(C3(CC[CH]2(C1([CH](C(CCC1)(C)C)CC=C2C=3)C)))C'
p9636
S'CC(C)C1(=CC=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))'
p9637
tp9638
sI3213
(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-])))))'
p9639
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)'
p9640
tp9641
sI3214
(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'
p9642
S'C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p9643
tp9644
sI3215
(S'CCCCCC=CCC=CCCCCCCCC([O-])=O'
p9645
S'CCCCCC=CCC=CCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p9646
tp9647
sI3216
(S'CSCCCCCC(=O)C([O-])=O'
p9648
S'CSCCCCCC(C([O-])=O)[N+]'
p9649
tp9650
sI3217
(S'CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p9651
S'CC12([CH](CCC(=O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p9652
tp9653
sI3218
(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)))'
p9654
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)'
p9655
tp9656
sI3219
(S'C=C1(C4(CC3(C1)(CC[CH]2(C(C)(C([O-])=O)CCCC(C)2[CH]3CC4))))'
p9657
S'C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))'
p9658
tp9659
sI3220
(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)'
p9660
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)'
p9661
tp9662
sI3221
(S'CCCCCCCCC=CCCCCCCCC([O-])=O'
p9663
S'CCCCCCCCC1(C(CCCCCCCC(=O)[O-])O1)'
p9664
tp9665
sI3222
(S'C(O)C1(C(C(C(O)C(O1)OCCC2(C=CC=CC=2))O)O)'
p9666
S'C1(C=CC(CCO)=CC=1)'
p9667
tp9668
sI3223
(S'CC(OCC([N+])C(=O)[O-])=O'
p9669
S'CCSCC([N+])C(=O)[O-]'
p9670
tp9671
sI3224
(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))'
p9672
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))))'
p9673
tp9674
sI3225
(S'CCCCCCCCC=CCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+])=O'
p9675
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(OCC[N+])([O-])=O)=O'
p9676
tp9677
sI3226
(S'CCCC=CC=CCCCCCCCCC([O-])=O'
p9678
S'CCCC=CC=CCCCCCCCCCO'
p9679
tp9680
sI3227
(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-])))'
p9681
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)))'
p9682
tp9683
sI3228
(S'C1(C=C(O)C=CC=1C(O)C#N)'
p9684
S'C#N'
p9685
tp9686
sI3229
(S'C4(CCCC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p9687
S'C4(CC(O)CC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p9688
tp9689
sI3230
(S'C([N+])CCC[N+]'
p9690
S'C(C[N+])CC=O'
p9691
tp9692
sI3231
(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)))'
p9693
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)'
p9694
tp9695
sI3232
(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-])'
p9696
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'
p9697
tp9698
sI3233
(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'
p9699
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'
p9700
tp9701
sI3234
(S'C(O)C1(C(O)C(O)C(O[As]([O-])(=O)[O-])O1)'
p9702
S'[As](O)([O-])O'
p9703
tp9704
sI3235
(S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p9705
S'CC(=CC([O-])=O)C=CC1(O)(C(CO)=CC(=O)CC(C)(C)1)'
p9706
tp9707
sI3236
(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'
p9708
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(OC)C=CC=1))C)C)C)C)C)C'
p9709
tp9710
sI3237
(S'CC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p9711
S'CC(C)(C#N)OC1(OC(CO)C(O)C(O)C(O)1)'
p9712
tp9713
sI3238
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p9714
S'C(C=CC1(=C(C=CC=C1)O))([O-])=O'
p9715
tp9716
sI3239
(S'C=C(OC1(C=CC=C(C1[N+])C(=O)[O-]))C(=O)[O-]'
p9717
S'C([O-])(=O)C1(C([N+])C(O)C=CC=1)'
p9718
tp9719
sI3240
(S'CC(O)C1(C=CC=CC=1)'
p9720
S'CC(=O)C1(C=CC=CC=1)'
p9721
tp9722
sI3241
(S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p9723
S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p9724
tp9725
sI3242
(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))'
p9726
S'COC1(=CC=C(C=C1)C2(=COC3(C=C(O)C(OC)=CC(C(=O)2)=3)))'
p9727
tp9728
sI3243
(S'C1(C=C(O)C(O)=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C(O)C=3)))'
p9729
S'C1(C=C(O)C(O)=CC=1C(=O)CC(=O)C2(=C(O)C=C([O-])C=C(O)2))'
p9730
tp9731
sI3244
(S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))OC)'
p9732
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))O)'
p9733
tp9734
sI3245
(S'C1(C2(=C(C(O)=CC(O)=1)C(C=C([O-])C(=O)2)=O))'
p9735
S'C1(C(O)=C(O)C2(=C(C(O)=1)C(C=C([O-])C(=O)2)=O))'
p9736
tp9737
sI3246
(S'CN2(C1(=C(NC=N1)C(=O)N(C)C(=O)2))'
p9738
S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p9739
tp9740
sI3247
(S'C3(C(C2(C(=O)C1(=CC=C(C=C1OC(O)2)O)))=CC=C(C=3)O)'
p9741
S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p9742
tp9743
sI3248
(S'C1(=C(C(=O)NC(=O)N1)C2(OC(CO)C(O)C(O)2))'
p9744
S'C1(=C(C(=O)NC(=O)N1)C2(OC(COP(=O)([O-])[O-])C(O)C(O)2))'
p9745
tp9746
sI3249
(S'C1(C(Cl)=CC(=C(C(Cl)=1)O)O)'
p9747
S'C([O-])(=O)C=C(Cl)C=C(Cl)C([O-])=O'
p9748
tp9749
sI3250
(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'
p9750
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'
p9751
tp9752
sI3251
(S'C1(NNCC1)'
p9753
S'C1(CC=NN1)'
p9754
tp9755
sI3252
(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))))'
p9756
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)))'
p9757
tp9758
sI3253
(S'C1(OP([O-])(=O)OC2(C1O[CH]3([CH](C(=O)2)NC4(=C(N3)N=C(N)NC(=O)4))))'
p9759
S'C(OP([O-])(=O)[O-])C1(C([S-])=C(S)[CH]2([CH](O1)NC3(=C(N2)C(=O)NC(N)=N3)))'
p9760
tp9761
sI3254
(S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C'
p9762
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'
p9763
tp9764
sI3255
(S'C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)'
p9765
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)))'
p9766
tp9767
sI3256
(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)'
p9768
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)'
p9769
tp9770
sI3257
(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-]'
p9771
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-]'
p9772
tp9773
sI3258
(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'
p9774
S'CC(=O)NC1(C(O)OC(CO)C(OC(C)=O)C(O)1)'
p9775
tp9776
sI3259
(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'
p9777
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))))'
p9778
tp9779
sI3260
(S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1CC=C2C3)C))C'
p9780
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)CO)C))C'
p9781
tp9782
sI3261
(S'C([O-])(=O)C(Cl)C1(OC(=O)C(Cl)=C1)Cl'
p9783
S'C1(=C(Cl)C(=O)OC(=C(Cl)C(=O)[O-])1)'
p9784
tp9785
sI3262
(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'
p9786
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'
p9787
tp9788
sI3263
(S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p9789
S'CCCCCC(O)C=CC1(C(O)C[CH]2([CH]1CC(=CCCCC(=O)[O-])O2))'
p9790
tp9791
sI3264
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p9792
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'
p9793
tp9794
sI3265
(S'C([N+])C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p9795
S'C(NC=O)C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p9796
tp9797
sI3266
(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))))'
p9798
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))))'
p9799
tp9800
sI3267
(S'C1(=CN(C(=O)N=C(N)1)C2(CC(O)C(CO)O2))'
p9801
S'C1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p9802
tp9803
sI3268
(S'C[N+](CCCCC(C([O-])=O)[N+])(C)C'
p9804
S'C[N+](CCCC(C(C([O-])=O)[N+])O)(C)C'
p9805
tp9806
sI3269
(S'CC1(C=NC(C(=O)[O-])C1)'
p9807
S'CC1(C[N+]C(C(=O)[O-])C1)'
p9808
tp9809
sI3270
(S'C1(C(=CC=C(C=1)O)CC(C(=O)[O-])NO)'
p9810
S'C(C(CC1(=CC=C(C=C1)O))N(O)O)([O-])=O'
p9811
tp9812
sI3271
(S'Cl(=O)(O)(=O)=O'
p9813
S'Cl([O-])=O'
p9814
tp9815
sI3272
(S'C=CC=S'
p9816
S'C=CC1(SC=CCS1)'
p9817
tp9818
sI3273
(S'CC1(CCC(CC=1)C2(=CCCC(C)(C)C2))'
p9819
S'CC2(C)(CC(C1(CC=C(CO)CC1))=CCC2)'
p9820
tp9821
sI3274
(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))))'
p9822
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'
p9823
tp9824
sI3275
(S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p9825
S'C3(=C(CC(OCC1(OC(C(O)C(C(O)1)O)O))=O)C2(C(=CC=CC=2)N3))'
p9826
tp9827
sI3276
(S'CS'
p9828
S'[SH2]'
p9829
tp9830
sI3277
(S'C3(C(C1(C(=CC2(=C([O-])C=C(O)C=C([O+]=1)2))[O-]))=CC(O)=C(C=3)O)'
p9831
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)))'
p9832
tp9833
sI3278
(S'CC(C3(=CC=C2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p9834
S'CC(C3(=CC=C2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p9835
tp9836
sI3279
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p9837
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)))'
p9838
tp9839
sI3280
(S'C(OP(=O)([O-])[O-])C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p9840
S'C(O)C1(OC(OC(CO)C(=O)[O-])C(O)C(O)C(O)1)'
p9841
tp9842
sI3281
(S'C3(C=CC2(=C(C1(C=CC=CC=1S2(=O)=O))C=3))'
p9843
S'C1(C=CC(=C(C=1)C2(C=CC=CC(S([O-])=O)=2))O)'
p9844
tp9845
sI3282
(S'C1(C(=C(C(Cl)=C([O-])C(Cl)=1)Cl)[O-])Cl'
p9846
S'C1(C(Cl)=C([O-])C(Cl)=C(Cl)C=1O)'
p9847
tp9848
sI3283
(S'C(O)C(O)C1(C(=O)C(=O)C(=O)O1)'
p9849
S'C(O)C(O)[CH]1(C([O-])=C(O)C(=O)O1)'
p9850
tp9851
sI3284
(S'CSCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p9852
S'CS(=O)CCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p9853
tp9854
sI3285
(S'CC2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p9855
S'C(O)C2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p9856
tp9857
sI3286
(S'C2(N(O)C1(C=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p9858
S'CON2(C1(C=CC=CC=1C(CC([N+])C(=O)[O-])=C2))'
p9859
tp9860
sI3287
(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)))'
p9861
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))'
p9862
tp9863
sI3288
(S'CC(CC([O-])=O)O'
p9864
S'CC(=O)CC([O-])=O'
p9865
tp9866
sI3289
(S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p9867
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)))'
p9868
tp9869
sI3290
(S'C2(C=CC(C(OC1(OC(CO)C(O)C(O)C(O)1))C#N)=CC=2)'
p9870
S'C(C(C1(C=CC=CC=1))O)#N'
p9871
tp9872
sI3291
(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))'
p9873
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'
p9874
tp9875
sI3292
(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'
p9876
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)'
p9877
tp9878
sI3293
(S'C=C(C)C1(CCC(C)=CCCC(C)=CC1)'
p9879
S'C=C(C1(CCC(=C2(CCC(C(C1)2)C))C))C'
p9880
tp9881
sI3294
(S'C[N+]CC1(C2(C(NC=1)=CC=CC=2))'
p9882
S'C[N+](CC1(C2(C(NC=1)=CC=CC=2)))C'
p9883
tp9884
sI3295
(S'CC(O)(C)[CH]=O'
p9885
S'CC(O)(C)C(=O)[O-]'
p9886
tp9887
sI3296
(S'C(=O)([O-])C(=C(C([O-])=O)N)C=C[CH]=O'
p9888
S'C1(=CC=C(C(C([O-])=O)=N1)C([O-])=O)'
p9889
tp9890
sI3297
(S'C([O-])(=O)C1(CC(=C[N+]1)C=CC(C(=O)[O-])=O)'
p9891
S'C=CC1(=CC(C([O-])=O)[N+]C1)'
p9892
tp9893
sI3298
(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)'
p9894
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)'
p9895
tp9896
sI3299
(S'CC(O)(CCOP(=O)([O-])[O-])CC(=O)[O-]'
p9897
S'CC(O)(CCOP(=O)([O-])OP([O-])([O-])=O)CC(=O)[O-]'
p9898
tp9899
sI3300
(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)'
p9900
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)'
p9901
tp9902
sI3301
(S'CCC=CCC=CCC=CCC=CCCC(=O)C(CC=CCC=CCC=CCC=CCC)C(=O)[O-]'
p9903
S'CCC=CCC=CCC=CCC=CCCC(CCC=CCC=CCC=CCC=CCC)=O'
p9904
tp9905
sI3302
(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'
p9906
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'
p9907
tp9908
sI3303
(S'CC=CC=CCCCCCCC(=O)[O-]'
p9909
S'CC=CC=CCCCCCCCO'
p9910
tp9911
sI3304
(S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p9912
S'C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p9913
tp9914
sI3305
(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'
p9915
S'CC(C=CC1(C(C)(C)CCCC(C)=1))=CC=CC(C)=C[CH]=O'
p9916
tp9917
sI3306
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p9918
S'C(=O)C=C(CC([N+])C(=O)[O-])C=C(C([O-])=O)O'
p9919
tp9920
sI3307
(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'
p9921
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'
p9922
tp9923
sI3308
(S'CC(=O)NC=C(CC([O-])=O)C([O-])=O'
p9924
S'C([CH]=O)CC(=O)[O-]'
p9925
tp9926
sI3309
(S'C=C1(C(CC([N+])C([O-])=O)C1)'
p9927
S'C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)'
p9928
tp9929
sI3310
(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)'
p9930
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))'
p9931
tp9932
sI3311
(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'
p9933
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'
p9934
tp9935
sI3312
(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))))'
p9936
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))))'
p9937
tp9938
sI3313
(S'C1(NC(CN=1)=O)'
p9939
S'C(NCC([O-])=O)=[N+]'
p9940
tp9941
sI3314
(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)))'
p9942
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-])'
p9943
tp9944
sI3315
(S'CC2(CCC1(C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p9945
S'CC2(CCC1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p9946
tp9947
sI3316
(S'C4(C=CC(C3(=CC=C2(C(C=CC1(=CC(O)=C(O)C(=C12)3))=O)))=CC=4)'
p9948
S'C4(C=CC(C3(C=CC2(C=CC=C1(C=C([O-])C(=O)C(C1=2)=3))))=CC=4)'
p9949
tp9950
sI3317
(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'
p9951
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C'
p9952
tp9953
sI3318
(S'CC1(C=CC(=C(N)C(O)=1)C(=O)CC([N+])C([O-])=O)'
p9954
S'CC1(=CC=C(C(=C1O)N)C([O-])=O)'
p9955
tp9956
sI3319
(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)))'
p9957
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)))'
p9958
tp9959
sI3320
(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'
p9960
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'
p9961
tp9962
sI3321
(S'C1(C=CC2(=C(C=1)C=CC=C2O))'
p9963
S'C2(C=CC3(=C(OC1(OC(C(C(C1O)O)O)CO))C=CC=C(C=2)3))'
p9964
tp9965
sI3322
(S'C1(=C([N+]([O-])=O)C(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p9966
S'C1(=C([N+]([O-])=O)C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[O-])'
p9967
tp9968
sI3323
(S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p9969
S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p9970
tp9971
sI3324
(S'CCCCCCCCCC(=O)C([N+])=CC'
p9972
S'CCCCCCCCCC(=O)C(=O)CC'
p9973
tp9974
sI3325
(S'CSCCC([O-])=O'
p9975
S'C[S+](C)CCC(=O)[O-]'
p9976
tp9977
sI3326
(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)))))'
p9978
S'C6(=CC5(C4(=C(C2(NC1(C(Cl)=CC=CC=1C=2C3(=C(C(=O)NC(=O)3)4))))NC=5C(Cl)=C6)))'
p9979
tp9980
sI3327
(S'C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-]'
p9981
S'C(=C(O)C(=O)[O-])C(=CC(=O)[O-])C(=O)[O-]'
p9982
tp9983
sI3328
(S'C1(C(O)=CC=C(O)N=1)'
p9984
S'C(C(=O)NC=O)=CC(=O)[O-]'
p9985
tp9986
sI3329
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p9987
S'CC(=O)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p9988
tp9989
sI3330
(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))'
p9990
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))'
p9991
tp9992
sI3331
(S'C(C(O)P([O-])(=O)O)O'
p9993
S'C(C(O)P([O-])(=O)O)OP([O-])(=O)[O-]'
p9994
tp9995
sI3332
(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'
p9996
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'
p9997
tp9998
sI3333
(S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C=C(C)C=1O)O))C)C'
p9999
S'CC(CCCC(CCCC(C)CCCC(C)=CCC1(C=C(C(C)=C(C)C=1O)O))C)C'
p10000
tp10001
sI3334
(S'C2(=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC(=C2)O)'
p10002
S'C3(C=C1(C(OC2(C(C1=O)=C(C=C([O-])C=2)O))=C(C=3)O))'
p10003
tp10004
sI3335
(S'CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p10005
S'CC(CCCC(C(=O)[O-])C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p10006
tp10007
sI3336
(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)))'
p10008
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))'
p10009
tp10010
sI3337
(S'C(C3(C(C(C(C(OC1(=CC2(CC(NC(C=C1O)=2)C([O-])=O)))O3)O)O)O))O'
p10011
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'
p10012
tp10013
sI3338
(S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=CC=2)O))C(=O)[O-])=O'
p10014
S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=C(C=2)O)O))C(=O)[O-])=O'
p10015
tp10016
sI3339
(S'CC1(C3(=C(C[CH](CC([O-])=O)O1)C(C2(C(=C(C=CC=2)O)C(=O)3))=O))'
p10017
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))'
p10018
tp10019
sI3340
(S'C([O-])(=O)C1(C=CC=C(C=1)C(=O)CCC2(C(O)C(O)C(O)O2))'
p10020
S'C([O-])(=O)C3(=CC=C2(C1(C(O)C(O)C(O)O1)CCC(=O)C2=C3))'
p10021
tp10022
sI3341
(S'CC(C=CC1(=C(C)CCCC(C)(C)1))=COC2(C=C(C)C(=O)O2)'
p10023
S'CC1(CCCC(C)(C)C=1C=CC(C([O-])=O)=COC2(C=C(C)C(=O)O2))'
p10024
tp10025
sI3342
(S'C([O-])(=O)C1(=CC(O)=CC=C1)'
p10026
S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p10027
tp10028
sI3343
(S'C=CC(=C)CCC1(C)([CH]2(C(C)(CCC(C)1)C(C)=CCC2))'
p10029
S'CC3(C2(C)(C(=O)C(O)C(C)C(C)(CC(O)C1(C(=O)C=O)(CO1))C2CCC=3))'
p10030
tp10031
sI3344
(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'
p10032
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'
p10033
tp10034
sI3345
(S'CC=CC(CC)=O'
p10035
S'CCCC(CC)=O'
p10036
tp10037
sI3346
(S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C(O)=C(O)2)O3)))'
p10038
S'COC1(C=CC(=CC=1)C2(OC3(=CC(OC)=C(OC)C(O)=C(C(=O)C=2)3)))'
p10039
tp10040
sI3347
(S'CC(C1(C(O)C(O)C(=CC=1)C([O-])=O))C'
p10041
S'CC(C)C1(C=CC(C(=O)[O-])=C(C=1O)O)'
p10042
tp10043
sI3348
(S'C2(C1(=C(OC(=O)C=C1)C=C(O)C=2))'
p10044
S'CC(C)=CCC2(C(O)=CC1(OC(=O)C=CC=1C=2))'
p10045
tp10046
sI3349
(S'CC(=CCCC(=CCOP([O-])(OP([O-])([O-])=O)=O)C)C'
p10047
S'CC(C1(=CC=C(CC1)C))C'
p10048
tp10049
sI3350
(S'[CH](=[N+])NC(C([O-])=O)CCC([O-])=O'
p10050
S'C(=O)NC(CCC(=O)[O-])C(=O)[O-]'
p10051
tp10052
sI3351
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)O)'
p10053
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(=C(OC)C=C(C=1)O)O))C)C)C)C)C'
p10054
tp10055
sI3352
(S'CC(=CCNC1(C2(=C(N=CN=1)NC=N2)))CO'
p10056
S'CC(=CC=O)CO'
p10057
tp10058
sI3353
(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)))'
p10059
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(OC)=C(OC)C(OC)=C3)))'
p10060
tp10061
sI3354
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p10062
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'
p10063
tp10064
sI3355
(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))))'
p10065
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1C2CCC(C)34))))'
p10066
tp10067
sI3356
(S'C2(=NC1(C=C(C=CC=1N2)O))'
p10068
S'COC2(C=CC1(=C(N=CN1)C=2))'
p10069
tp10070
sI3357
(S'[CH](=O)CCCNC(=O)CCC([N+])C(=O)[O-]'
p10071
S'C(CCC(C([O-])=O)[N+])(NCCCC(=O)[O-])=O'
p10072
tp10073
sI3358
(S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p10074
S'COC1(=C(C=CC(=C1)O)C(C=CC2(C=CC(O)=CC=2))=O)'
p10075
tp10076
sI3359
(S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(OC)=3)OC))'
p10077
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=CC(OC)=3)OC))'
p10078
tp10079
sI3360
(S'C1(=NC(N)=NC(N)=N1)(N)'
p10080
S'C1(=NC(N)=NC(N1)=O)(N)'
p10081
tp10082
sI3361
(S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p10083
S'CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34)))))CCC(=O)[O-]'
p10084
tp10085
sI3362
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p10086
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p10087
tp10088
sI3363
(S'C(=O)([O-])C(Cl)=CC(=O)C(Cl)C(=O)[O-]'
p10089
S'C(=O)([O-])C=CC(=O)C(Cl)C(=O)[O-]'
p10090
tp10091
sI3364
(S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p10092
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)'
p10093
tp10094
sI3365
(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)'
p10095
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)'
p10096
tp10097
sI3366
(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)'
p10098
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)'
p10099
tp10100
sI3367
(S'C(S([O-])=O)C(=O)C(=O)[O-]'
p10101
S'[O-]S([O-])=O'
p10102
tp10103
sI3368
(S'COC4(C(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)O)'
p10104
S'COC4(=CC=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C4OC)'
p10105
tp10106
sI3369
(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'
p10107
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'
p10108
tp10109
sI3370
(S'C(O)C([N+])C(=O)[O-]'
p10110
S'C(CO)[N+]'
p10111
tp10112
sI3371
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p10113
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))'
p10114
tp10115
sI3372
(S'C1(=C(C2(C=CC=CC(N1)=2))C3(=NC(C([O-])=O)CS3))'
p10116
S'C3(N=C(C2(=CNC1(C=CC=CC=12)))SC=3)'
p10117
tp10118
sI3373
(S'C1(C=C2(C(=CC=1)C=C(O)C=C2))'
p10119
S'C1(C=CC2(C=C(C=CC(C=1)=2)OC3(OC(C(C(C3O)O)O)CO)))'
p10120
tp10121
sI3374
(S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NCC=2C=34))C6(=C(N5)C=CC=C6)))))'
p10122
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)))))))'
p10123
tp10124
sI3375
(S'CSCCCCCCCC(=O)C([O-])=O'
p10125
S'CSCCCCCCCC([N+])C(=O)[O-]'
p10126
tp10127
sI3376
(S'C(O)C23(SSC(CC1(=CC=CC=C1))(NC(=O)2)C(=O)N3)'
p10128
S'C(O)C14(SSC2(CC3([CH](N(C(=O)1)2)C(O)C=CC=3))C(=O)N4)'
p10129
tp10130
sI3377
(S'[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]'
p10131
S'C(O)C(=O)C(O)C(O)C(O)C(=O)[O-]'
p10132
tp10133
sI3378
(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))))'
p10134
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'
p10135
tp10136
sI3379
(S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O'
p10137
S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C=C2)O)))[N+])([O-])=O'
p10138
tp10139
sI3380
(S'CC1(C(NO)=CC([N+](=O)[O-])=CC([N+](=O)[O-])=1)'
p10140
S'CC1(C(N=O)=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p10141
tp10142
sI3381
(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))'
p10143
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))'
p10144
tp10145
sI3382
(S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p10146
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))))'
p10147
tp10148
sI3383
(S'COC1(=CC(=CC=C(O)1)CC3(C(CO)C(C2(C=CC(O)=C(OC)C=2))OC3))'
p10149
S'COC1(C=C(C=CC=1O)CC(C(CC2(C=CC(=C(C=2)OC)O))CO)CO)'
p10150
tp10151
sI3384
(S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p10152
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)))'
p10153
tp10154
sI3385
(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'
p10155
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))'
p10156
tp10157
sI3386
(S'CC(CC(C1(C(=CC(=CC=1O)O)O))=O)C'
p10158
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)'
p10159
tp10160
sI3387
(S'CC1([N+](=CSC=1CCO)CC2(C(O)=NC(=NC=2)C))'
p10161
S'CC1(N=CSC(CCO)=1)'
p10162
tp10163
sI3388
(S'C[N+]3(C1(C4(C(C2(=C(C1)C=CC(=C2O)OC))(CC3)C=C(C(C=4)O)OC)))'
p10164
S'C3([N+](C1(C4(C(C2(=C(C1)C=CC(=C2O)OC))(C3)C=C(C(C=4)=O)OC)))C)'
p10165
tp10166
sI3389
(S'C1(C=C(O)C(O)=C(C=1)O)'
p10167
S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p10168
tp10169
sI3390
(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))'
p10170
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))'
p10171
tp10172
sI3391
(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))'
p10173
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))'
p10174
tp10175
sI3392
(S'C(O)CC1(=CNC2(=C1C=C(O)C=C2))'
p10176
S'C(O)CC1(=CNC2(=C1C=C(OS(=O)(=O)[O-])C=C2))'
p10177
tp10178
sI3393
(S'C(C[N+])CC([O-])=O'
p10179
S'C([N+])CCC(=O)NC(CC1(=CNC=N1))C(=O)[O-]'
p10180
tp10181
sI3394
(S'C(CCCCC(C(C(=O)[O-])O)C(=O)[O-])(=O)[O-]'
p10182
S'C(CCCCCC(C(=O)[O-])=O)([O-])=O'
p10183
tp10184
sI3395
(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)'
p10185
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)'
p10186
tp10187
sI3396
(S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C'
p10188
S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C=O'
p10189
tp10190
sI3397
(S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p10191
S'C1(C(C(C(C(C1O)=O)O)=O)O)O'
p10192
tp10193
sI3398
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p10194
S'C([O-])(=O)C([N+])CC1(=CC(=O)C(=O)C=C1)'
p10195
tp10196
sI3399
(S'[As](=O)(O)([O-])[O-]'
p10197
S'C(O)C1(C(O)C(O)C(O[As]([O-])(=O)[O-])O1)'
p10198
tp10199
sI3400
(S'CC1([N+](=CSC(CCOP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p10200
S'CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))'
p10201
tp10202
sI3401
(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)))'
p10203
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)))'
p10204
tp10205
sI3402
(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))))'
p10206
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))))'
p10207
tp10208
sI3403
(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))'
p10209
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))'
p10210
tp10211
sI3404
(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'
p10212
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'
p10213
tp10214
sI3405
(S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C)C=CC=O'
p10215
S'CC(C=CC1(=C(C)CCCC(C)(C)1))=CC=CC(C)=O'
p10216
tp10217
sI3406
(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)))))'
p10218
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)))))'
p10219
tp10220
sI3407
(S'CC1(CCC3(C(C([O-])=O)=CC2(CC(C)(C)CC123)))'
p10221
S'CC1(C(O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p10222
tp10223
sI3408
(S'CC2(C)(C1(CC(C)(CC1)C(O)2))'
p10224
S'C=C1(C2(CC(C(C)(C)1)C(C)(C)C2))'
p10225
tp10226
sI3409
(S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p10227
S'CC2(=CCC(O)C(C)=CC1(OC(=O)C(=C)C1CC2))'
p10228
tp10229
sI3410
(S'C(CC(C([O-])=O)[N+])[N+]'
p10230
S'CC(=O)NCCC([N+])C(=O)[O-]'
p10231
tp10232
sI3411
(S'CCSCC([N+])C(=O)[O-]'
p10233
S'CCS(=O)CC([N+])C([O-])=O'
p10234
tp10235
sI3412
(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)'
p10236
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)'
p10237
tp10238
sI3413
(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'
p10239
S'CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p10240
tp10241
sI3414
(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'
p10242
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'
p10243
tp10244
sI3415
(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))'
p10245
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)'
p10246
tp10247
sI3416
(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))'
p10248
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)))'
p10249
tp10250
sI3417
(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))'
p10251
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))'
p10252
tp10253
sI3418
(S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(=CC(C(C=C2)=O)=O))C([O-])=O'
p10254
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)'
p10255
tp10256
sI3419
(S'CCN1C2=C(C=CC=N2)N(C(=O)C3=CC(=CN=C31)CCOC4=CC=[N+](C5=CC=CC=C54)[O-])C'
p10257
S'CCN1C2=C(C=CC=N2)N(C(=O)C3=CC(=CN=C31)CCOC4=CC=NC5=CC=CC=C54)C'
p10258
tp10259
sI3420
(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)'
p10260
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)'
p10261
tp10262
sI3421
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p10263
S'COC2(=CC(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p10264
tp10265
sI3422
(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)'
p10266
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)'
p10267
tp10268
sI3423
(S'C[N+](CC(O)CC(=O)[O-])(C)C'
p10269
S'C(C(O)CC(=O)[O-])[N+](C)(C)C'
p10270
tp10271
sI3424
(S'C(C(=O)C([O-])=O)P([O-])(O)=O'
p10272
S'C(C(O)(CC([O-])=O)C([O-])=O)P([O-])(O)=O'
p10273
tp10274
sI3425
(S'C1(=CC=C(C=C1)C(=O)CC(=O)C2(=C(O)C=C(O)C=C(O)2))'
p10275
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))'
p10276
tp10277
sI3426
(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'
p10278
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))))'
p10279
tp10280
sI3427
(S'C=CCl'
p10281
S'C=C'
p10282
tp10283
sI3428
(S'CCC(CC(C)C(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2))C'
p10284
S'CCC(CC(C)C(=O)C1(C(=O)NC=C(C([O-])=1)C2(C=CC(O)=CC=2)))C'
p10285
tp10286
sI3429
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p10287
S'CN2(C1(C(=O)NC(=O)[N-]C=1[N+](=C2)C3(C(O)C(C(CO)O3)O)))'
p10288
tp10289
sI3430
(S'CN3(C(=O)C1(C(=CC=CC=1)NC(=O)C(=CC2(=CC=C(OC)C=C2))3))'
p10290
S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=C(OC)C=C2))3)4))'
p10291
tp10292
sI3431
(S'CC(C1(C=CC(C=O)=CC=1))C'
p10293
S'CC(C1(C=CC(C([O-])=O)=CC=1))C'
p10294
tp10295
sI3432
(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'
p10296
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'
p10297
tp10298
sI3433
(S'C1(NC=NC(CC=O)=1)'
p10299
S'C1(NC=C(CC(=O)[O-])N=1)'
p10300
tp10301
sI3434
(S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(CO)CCCC34C)))'
p10302
S'C=C1(CCC23([CH](CC1C2)CC[CH]4(C(C)(C=O)CCCC34C)))'
p10303
tp10304
sI3435
(S'CC(C)=CCC4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p10305
S'C=C(C)C1(CC2(=C(O1)C=C3(OCC4(O)(C5(C=CC(O)=CC(O[CH](C(=C2)3)4)=5)))))'
p10306
tp10307
sI3436
(S'C1(=O)(CC[CH](N1)C2(C=NC=CC=2))'
p10308
S'C1(N=CC=CC=1C(=O)CCC(N)=O)'
p10309
tp10310
sI3437
(S'C(O)C(O)C(O)C(=O)C(O)CO'
p10311
S'C(C(C(C(C(CO)O)O)O)O)O'
p10312
tp10313
sI3438
(S'CC(=C3(C(NC(CC1(C2(C(NC=1)=CC=CC=2)))C3=O)=O))[O-]'
p10314
S'CC(=CCC3(C2(=C(NC=C(CC1(NC(C(C1=O)=C(C)[O-])=O))2)C=CC=3)))C'
p10315
tp10316
sI3439
(S'CC1(CCC=C(C)CC(O)C(C(C(=O)[O-])=C)CC=1)'
p10317
S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p10318
tp10319
sI3440
(S'C2(=CC=C(C=CC=CC(CCC1(=CC=C(C=C1)O))=O)C=C2)'
p10320
S'C2(C=CC(C=CC=CC(=O)CCC1(C=CC(O)=C(O)C=1))=CC=2)'
p10321
tp10322
sI3441
(S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)1)'
p10323
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p10324
tp10325
sI3442
(S'C(C1(C=CCC(C1[N+])=O))(=O)[O-]'
p10326
S'C(C1(C=CCC2([CH]1NC3(O)(CC=CC(C([O-])=O)C(N=2)3))))(=O)[O-]'
p10327
tp10328
sI3443
(S'CC1(=C(Cl)C(=O)OC(=CC([O-])=O)1)'
p10329
S'CC(=C(Cl)C(=O)[O-])C(=O)CC([O-])=O'
p10330
tp10331
sI3444
(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)))'
p10332
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)'
p10333
tp10334
sI3445
(S'C(Cl)(=O)C=C([O-])C=CC(=O)[O-]'
p10335
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p10336
tp10337
sI3446
(S'C[N+](C)CCO'
p10338
S'C(CO)[N+](C)(C)C'
p10339
tp10340
sI3447
(S'C([N+])CCCC[N+]'
p10341
S'C1(CC=NCC1)'
p10342
tp10343
sI3448
(S'C([N+])C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p10344
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+]))'
p10345
tp10346
sI3449
(S'C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(O)=CC=C(CC([N+])C([O-])=O)C=1)'
p10347
S'C([O-])(=O)C(CC([N+])C(=O)[O-])C1(C(=O)C=CC(CC([N+])C([O-])=O)C=1)'
p10348
tp10349
sI3450
(S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(CC=4)=O)OC))(CC5))))'
p10350
S'C[N+]2(CCC13(C4(OC5(=C1C(CC2C3C=CC(=O)4)=CC=C(OC)5))))'
p10351
tp10352
sI3451
(S'CCC=CC=CCCCCCCCCO'
p10353
S'CCC=CC=CCCCCCCCCOC(C)=O'
p10354
tp10355
sI3452
(S'CC1(=CC(C)=CC(=C1)O)'
p10356
S'CC1(=CC(=CC(CO)=C1)O)'
p10357
tp10358
sI3453
(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)'
p10359
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)'
p10360
tp10361
sI3454
(S'C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC=C(O)C=C2))'
p10362
S'C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC(O)=C(O)C=C2))'
p10363
tp10364
sI3455
(S'C(CC1(OC(C=C1)=O)C([O-])=O)([O-])=O'
p10365
S'C1(CC(=O)OC=1CC([O-])=O)'
p10366
tp10367
sI3456
(S'[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]'
p10368
S'C(C(C(C(C(C([O-])=O)O)O)O)O)O'
p10369
tp10370
sI3457
(S'C1(C=CC([N+])(C(C=1)O)O)'
p10371
S'C1(C=CC(=C(C=1)O)O)'
p10372
tp10373
sI3458
(S'C1(C=CC(=C(Cl)C=1)Cl)'
p10374
S'C1(=C(C(Cl)=CC(O)C(O)1)Cl)'
p10375
tp10376
sI3459
(S'C1(C(Cl)C(Cl)=CC(C(Cl)=1)O)'
p10377
S'C1(C(Cl)=CC(=C(C=1)Cl)[O-])'
p10378
tp10379
sI3460
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(O)CC3)))CC4)))C'
p10380
S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)C(=O)CC3)))CC4)))C'
p10381
tp10382
sI3461
(S'CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)'
p10383
S'CCCCCC2(=CC3(OC(C1(CCC(=CC1C(C(=C2C([O-])=O)O)=3)C))(C)C))'
p10384
tp10385
sI3462
(S'CC(=O)NC1(C(O)OC(CO)C(OC(C)=O)C(O)1)'
p10386
S'CC(=O)NC1(C(CC(C(=O)[O-])(O)O[CH]1C(OC(C)=O)C(O)CO)O)'
p10387
tp10388
sI3463
(S'C1(C(=O)CC(O)CC=1O)'
p10389
S'C1(C(=CC(O)=CC=1O)O)'
p10390
tp10391
sI3464
(S'CC(=O)NC1=C(C=C2C=C(C(=NNC3=CC=C(C=C3)S(=O)(=O)N)C(=O)C2=C1)S(=O)(=O)O)S(=O)(=O)O'
p10392
S'C1=CC(=CC=C1N)S(=O)(=O)N'
p10393
tp10394
sI3465
(S'C([O-])(=O)C1(=C(O)C2(=C(C(O)=C1)C=CC=C2))'
p10395
S'C1(C=C2(C(C=CC(C(=CC=1)2)=O)=O))'
p10396
tp10397
sI3466
(S'C(O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p10398
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))'
p10399
tp10400
sI3467
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p10401
S'C2(OC3(=C(C=C(OC1(C(C(C(O)C(O1)CO)O)O))2)C=CC(O)=C3))(=O)'
p10402
tp10403
sI3468
(S'[CH](=O)C1(OC([CH]=O)=CC=1)'
p10404
S'C(O)(O)C1(OC([CH]=O)=CC=1)'
p10405
tp10406
sI3469
(S'C(C(C([O-])=O)OC1(C(C(C(C(O1)CO)O)O)O))OP([O-])([O-])=O'
p10407
S'C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(=O)[O-]'
p10408
tp10409
sI3470
(S'C(Cl)(Cl)(Cl)Cl'
p10410
S'C(Cl)(Cl)Cl'
p10411
tp10412
sI3471
(S'CCCC1(=[N+]CCCC1)'
p10413
S'CCC(=O)C1([N+]CCCC1)'
p10414
tp10415
sI3472
(S'COC1(C=CC(=CC=1O)C3(=COC2(=C(C=CC(O)=C2)C3=O)))'
p10416
S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))O)'
p10417
tp10418
sI3473
(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'
p10419
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'
p10420
tp10421
sI3474
(S'C([O-])(=O)C(=O)CC1(=CC=CC=C1)'
p10422
S'C(=O)([O-])CC1(=CC=CC=C(O)1)'
p10423
tp10424
sI3475
(S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2)[O-])O)))=CC=C(C=3)O)'
p10425
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)'
p10426
tp10427
sI3476
(S'C(OP(=O)([O-])[O-])C(O)C(O)CC(=O)C([O-])=O'
p10428
S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p10429
tp10430
sI3477
(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'
p10431
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'
p10432
tp10433
sI3478
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p10434
S'C(C(C1(C=CC(=CC=1)O))O)[N+]'
p10435
tp10436
sI3479
(S'C([N+])CCCC[N+]'
p10437
S'C([N+])CCCCNO'
p10438
tp10439
sI3480
(S'C([O-])(=O)C1(=CC=C(Cl)C(Cl)=C1)'
p10440
S'C([O-])(=O)C1(=C[CH](O)C(O)(Cl)C(Cl)=C1)'
p10441
tp10442
sI3481
(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)))))'
p10443
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)))))'
p10444
tp10445
sI3482
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)CCOC3(=CC2(NC1(=CC=CC=C1NC=2C=C3)))'
p10446
S'CC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(CCOC2(=CC1(N=C3(C(=NC=1C=C2)C=CC=C3))))C)C)C'
p10447
tp10448
sI3483
(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))))'
p10449
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))))'
p10450
tp10451
sI3484
(S'COC1(C(=CC=C(OC)C(O)=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(OC)=C(OC)C=3)))'
p10452
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)))'
p10453
tp10454
sI3485
(S'C(C1(C(C(C(O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]'
p10455
S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p10456
tp10457
sI3486
(S'CC1(C)(OC23(OC1C(=O)C=C2[CH]4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p10458
S'CC1(C)(OC23(OC1C(=O)C=C2C4(O)(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p10459
tp10460
sI3487
(S'C=C(C1(CC2(C(CCCC(=CC1)2)C)C))C'
p10461
S'C=C(C1(CC2(C(CCC(C(=CC1)2)O)C)C))C'
p10462
tp10463
sI3488
(S'CCC=CSO'
p10464
S'CCCC=[S+][O-]'
p10465
tp10466
sI3489
(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'
p10467
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'
p10468
tp10469
sI3490
(S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)O)O)O))O)O)O))O'
p10470
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'
p10471
tp10472
sI3491
(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)'
p10473
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)'
p10474
tp10475
sI3492
(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))'
p10476
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)))'
p10477
tp10478
sI3493
(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)))'
p10479
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)))'
p10480
tp10481
sI3494
(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-]))))'
p10482
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-]))'
p10483
tp10484
sI3495
(S'C(SO)C1(=CC=CC=C1)'
p10485
S'C(S(=O)SCC1(C=CC=CC=1))C2(=CC=CC=C2)'
p10486
tp10487
sI3496
(S'O=S(=O)([O-])S'
p10488
S'[O-]S([O-])=O'
p10489
tp10490
sI3497
(S'CC1(=NC=C(CO)C(C[N+])=C(O)1)'
p10491
S'CC1(N=CC(=C(C=1O)C=O)CO)'
p10492
tp10493
sI3498
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p10494
S'C1(NC2(C(C=1CC(=O)OC)=CC=CC=2))'
p10495
tp10496
sI3499
(S'C=C(C1(CCC(CC1=O)C))C'
p10497
S'CC(=C1(CCC(CC1=O)C))C'
p10498
tp10499
sI3500
(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)'
p10500
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)'
p10501
tp10502
sI3501
(S'C2(=CC3(OC1(C(=C(O)C=C([O-])C=1)C(=O)C(C=C(O)2)=3)))'
p10503
S'C1(=C([O-])C=C2(OC3(=CC(=C(O)C=C(C(=O)C(=C(O)1)2)3)O)))'
p10504
tp10505
sI3502
(S'COC1(C(C=C3(C(=CC=1)C2(C(=CC(OC)=C(OC)C(OC)=2)CCC3N(C=O)C)))=O)'
p10506
S'C[N+]C2(CCC3(C=C(C(=C(C(C1(C(=CC(=O)C(=CC=1)OC)2))=3)OC)OC)OC))'
p10507
tp10508
sI3503
(S'CC4(C)(C3(CCC2(C)(C1(C)(CCC5([CH](C1=CCC2C(C)3CCC(O)4)CC(C(O)=O)(C)CC5)C))))'
p10509
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))))'
p10510
tp10511
sI3504
(S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p10512
S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)'
p10513
tp10514
sI3505
(S'CC(C)=CCCC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))C'
p10515
S'CC(=CCCC(C)=CCC2(C)(C1(=C(C(=O)OC1)C(O)=C(C)C(=O)2)))CCC3(OC(C)(C)3)'
p10516
tp10517
sI3506
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p10518
S'C1(C(=CC(=C(C=1)O)CC([O-])=O)O)'
p10519
tp10520
sI3507
(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))))'
p10521
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))))'
p10522
tp10523
sI3508
(S'CC(C)=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)C)C)C)C)C'
p10524
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'
p10525
tp10526
sI3509
(S'C(C1(C=CCC2([CH]1NC3(CC=CC(C([O-])=O)C(N=2)=3))))(=O)[O-]'
p10527
S'C(C1(C=CCC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p10528
tp10529
sI3510
(S'CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O'
p10530
S'CCCCCC(O)C(C[CH]=O)SCC([N+])C(=O)NCC([O-])=O'
p10531
tp10532
sI3511
(S'CC(=O)NC1(C(O)C(O)C(CO)OC1OC2(C([N+])CC(C(C2O)O)[N+]))'
p10533
S'C(O)C1(C(O)C(O)C([N+])C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p10534
tp10535
sI3512
(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)))'
p10536
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)'
p10537
tp10538
sI3513
(S'CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O'
p10539
S'CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8CC(=O)OC8)O)C)O)C)C)C)O)O'
p10540
tp10541
sI3514
(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-]'
p10542
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'
p10543
tp10544
sI3515
(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))'
p10545
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)'
p10546
tp10547
sI3516
(S'C2(NC1(C=CC=CC=1C(CC(NO)C(=O)[O-])=2))'
p10548
S'C2(NC1(C=CC=CC=1C(CC(N(O)O)C(=O)[O-])=2))'
p10549
tp10550
sI3517
(S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p10551
S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p10552
tp10553
sI3518
(S'C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p10554
S'[SH2]'
p10555
tp10556
sI3519
(S'CCCCCC(O)C=CC=CCC=CCC=CCCCC(=O)[O-]'
p10557
S'CCCCCC(O)C(O)C=CC=CC=CC=CC(O)CCCC(=O)[O-]'
p10558
tp10559
sI3520
(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)'
p10560
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)'
p10561
tp10562
sI3521
(S'C[N+](C)C'
p10563
S'CN(=O)(C)C'
p10564
tp10565
sI3522
(S'C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p10566
S'[O-]S([O-])=O'
p10567
tp10568
sI3523
(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'
p10569
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'
p10570
tp10571
sI3524
(S'[SH2]'
p10572
S'[O-]S([O-])=O'
p10573
tp10574
sI3525
(S'COC2(=CC(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)2)OC)'
p10575
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)'
p10576
tp10577
sI3526
(S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p10578
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(=CC[CH]1(CC(O)CCC(C)1C2CCC(C)34))))'
p10579
tp10580
sI3527
(S'CCC(C(CO)C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p10581
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))))'
p10582
tp10583
sI3528
(S'C=C1(C(C(O)(C(=O)[O-])CC([O-])=O)C1)'
p10584
S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)O)C1)'
p10585
tp10586
sI3529
(S'C(=O)([O-])C(=O)C=CCP(=O)([O-])O'
p10587
S'C(=O)([O-])C([N+])C=CCP([O-])(=O)O'
p10588
tp10589
sI3530
(S'CC(C)(CO)C(O)C(=O)NCCC(=O)[O-]'
p10590
S'CC(C(C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C'
p10591
tp10592
sI3531
(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'
p10593
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)'
p10594
tp10595
sI3532
(S'COC1(=C(O)C=CC(CC([N+])C(=O)[O-])=C1)'
p10596
S'COC1(C=C(CC(=O)C(=O)[O-])C=CC(O)=1)'
p10597
tp10598
sI3533
(S'C(C1(C=C(Cl)C=CC=1O))([O-])=O'
p10599
S'C1(C=C(C(=CC=1Cl)O)O)'
p10600
tp10601
sI3534
(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)'
p10602
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'
p10603
tp10604
sI3535
(S'COC1(=C(C(=CC(=C1)C([O-])=O)O)O)'
p10605
S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p10606
tp10607
sI3536
(S'C1(C(=N([O-])=O)C(C(CC1=[N+](O)[O-])=N(=O)[O-])=O)'
p10608
S'C1(=C([N+]([O-])=O)C(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p10609
tp10610
sI3537
(S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p10611
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C'
p10612
tp10613
sI3538
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)=C2C3)))'
p10614
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C=O)C2=C3)))'
p10615
tp10616
sI3539
(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)'
p10617
S'CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O'
p10618
tp10619
sI3540
(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))))'
p10620
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)'
p10621
tp10622
sI3541
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p10623
S'C2(C=CC1(=CC(O)=C(C=C1O2)OC3(C(C(C(O)C(O3)CO)O)O)))(=O)'
p10624
tp10625
sI3542
(S'CSCCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10626
S'CS(=O)CCCCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10627
tp10628
sI3543
(S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p10629
S'CC34([CH]2(C(O)CC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p10630
tp10631
sI3544
(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'
p10632
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'
p10633
tp10634
sI3545
(S'CSCCCCCC=NO'
p10635
S'CSCCCCCC#N=O'
p10636
tp10637
sI3546
(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))))'
p10638
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))))'
p10639
tp10640
sI3547
(S'C(CCC(O)CC(C([O-])=O)=O)([O-])=O'
p10641
S'C([CH]=O)CC(=O)[O-]'
p10642
tp10643
sI3548
(S'CC1([N+](=CSC(CCOP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p10644
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p10645
tp10646
sI3549
(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))'
p10647
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'
p10648
tp10649
sI3550
(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)'
p10650
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)))'
p10651
tp10652
sI3551
(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)))'
p10653
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)'
p10654
tp10655
sI3552
(S'C1(CCCC[N+]1)'
p10656
S'C(N1(CCCCC1))(=O)C=CC=CC3(C=CC2(OCOC=2C=3))'
p10657
tp10658
sI3553
(S'CC1(=CC=CC(=C1)O)'
p10659
S'CC1(=CC(O)=CC=C(O)1)'
p10660
tp10661
sI3554
(S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O)))O'
p10662
S'CCCCCCCCCCCCCCCC(OC1(C(C(C(OC1OC2(C(C(C(C(O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O'
p10663
tp10664
sI3555
(S'CC2(CC1(=CC(=CC(=C1C(=O)O2)O)O))'
p10665
S'CC1(CC2(=CC(=CC(O)=C(C(=O)O1)2)OC))'
p10666
tp10667
sI3556
(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)'
p10668
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)'
p10669
tp10670
sI3557
(S'CC(O)C(O)CC(=O)C([O-])=O'
p10671
S'CC([CH]=O)O'
p10672
tp10673
sI3558
(S'C1(C=CC(O)=C(C=O)C=1)'
p10674
S'C(C1(=CC=CC=C1O))([O-])=O'
p10675
tp10676
sI3559
(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'
p10677
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'
p10678
tp10679
sI3560
(S'CCC1(OC(=O)C=CC=CC=CCC(O)CC=CC=CC(=O)C(C)C(CCC1)O)'
p10680
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)))'
p10681
tp10682
sI3561
(S'C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N'
p10683
S'C1=CC=C(C(=C1)C(=O)CS(=O)(=O)N)O'
p10684
tp10685
sI3562
(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'
p10686
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)))'
p10687
tp10688
sI3563
(S'CC(C3(=CCC2(C1(C(C(CCC1)(CO)C)CCC2=C3)C)))C'
p10689
S'CC(C3(=CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p10690
tp10691
sI3564
(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)'
p10692
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)))'
p10693
tp10694
sI3565
(S'C1(=[N+](CCC[N+])CCC1)'
p10695
S'C1(CC[N+]C2(CCCN12))'
p10696
tp10697
sI3566
(S'CC1(=CC(=CC(CO)=C1)O)'
p10698
S'CC1(=CC(=CC(C=O)=C1)O)'
p10699
tp10700
sI3567
(S'C1(C(C(C(C(C1O)O)OP([O-])([O-])=O)O)O)[N+]'
p10701
S'C1(NC(=[N+])N)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p10702
tp10703
sI3568
(S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p10704
S'C3(=C(CC(=O)OC1(C(O)C(O)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p10705
tp10706
sI3569
(S'CC1(=CC(O)=C3(C(=C1)CC2(=CC=CC(O)=C2C(=O)3)))'
p10707
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)))'
p10708
tp10709
sI3570
(S'C(O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p10710
S'C(=O)C1(C=CC(=CC=1)[N+]([O-])=O)'
p10711
tp10712
sI3571
(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)'
p10713
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)'
p10714
tp10715
sI3572
(S'C=CC(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)C'
p10716
S'C=CC1(C)(OC1)'
p10717
tp10718
sI3573
(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))'
p10719
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))'
p10720
tp10721
sI3574
(S'C3(C=C(C1(C(C2(C=CC(=CC(OC1)=2)O))O))C(=CC=3O)O)'
p10722
S'C1(=C(O)C=C2(C(=C1)[CH]3([CH](O2)C4(=C(OC3)C=C(O)C=C4))))'
p10723
tp10724
sI3575
(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)'
p10725
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)'
p10726
tp10727
sI3576
(S'C(CCC1(=CC=CC(C(O)1)O))(=O)[O-]'
p10728
S'C(CCC1(C(=C(C=CC=1)O)O))([O-])=O'
p10729
tp10730
sI3577
(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))))'
p10731
S'CC(C)=CCCC([CH]1(C2(C)(C(=CC1)C4(=C(CC2)C3([CH](C(C)(C)C(O)CC3)CC4)(C)))))C'
p10732
tp10733
sI3578
(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))'
p10734
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))'
p10735
tp10736
sI3579
(S'C(C1(OC(O)C(O)C(O)C(O)1))S(=O)(=O)[O-]'
p10737
S'C(S([O-])(=O)=O)C1(OC(O)(CO)C(O)C(O)1)'
p10738
tp10739
sI3580
(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)'
p10740
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)))'
p10741
tp10742
sI3581
(S'C(O)C1(C(O)C(C(O)C(O1)O)OC3(O[CH]2(CO[CH](C2O)C(O)3)))'
p10743
S'C1(O[CH]2(C([CH]1OC(C(O)2)O)O))'
p10744
tp10745
sI3582
(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))'
p10746
S'COC1(=CC(=C(C=C1C2(C(=O)C3(C=C(C(=CC(OC=2)=3)O)OC)))OC)OC)'
p10747
tp10748
sI3583
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=C3)OC))'
p10749
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))'
p10750
tp10751
sI3584
(S'CC2(=CC(=C(C(=O)C1(C(C([O-])=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p10752
S'CC2(=CC(=C(C(=O)C1(C(C(OC)=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p10753
tp10754
sI3585
(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))'
p10755
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))'
p10756
tp10757
sI3586
(S'C(C1(O)(NC(=O)N=C1NC(N)=O))(=O)[O-]'
p10758
S'C1(NC(N)=O)(NC(=O)NC(=O)1)'
p10759
tp10760
sI3587
(S'CC3(C1(OC2(C(Cl)=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p10761
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p10762
tp10763
sI3588
(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'
p10764
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'
p10765
tp10766
sI3589
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p10767
S'C1(C=C(C=CC=1C2(C(C(=C(C(C=2O)=O)C3(C=CC(=CC=3)O))O)=O))O)'
p10768
tp10769
sI3590
(S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p10770
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)))))'
p10771
tp10772
sI3591
(S'COC2(=C(O)C(O)=CC(C1(C=CC=CC=1))=C2)'
p10773
S'COC2(=CC(C1(C=CC=CC=1))=CC(OC)=C(O)2)'
p10774
tp10775
sI3592
(S'CC1=NC=C(N1CCO)[N+](=O)[O-]'
p10776
S'C(CO)NC(=O)C(=O)O'
p10777
tp10778
sI3593
(S'CCCCCCCCCCCCCCCCC[CH]=O'
p10779
S'CCCCCCCCCCCCCCCCC'
p10780
tp10781
sI3594
(S'C1(C(Cl)=CC(Cl)=C([O-])C(Cl)=1)'
p10782
S'C1(C(=CC(Cl)=C(C=1Cl)[O-])O)'
p10783
tp10784
sI3595
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(CO)C2=C3)))'
p10785
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p10786
tp10787
sI3596
(S'C(CP([O-])(O)=O)O'
p10788
S'[CH](CP([O-])(O)=O)=O'
p10789
tp10790
sI3597
(S'CC(=CCCC(=CCOP([O-])(OP([O-])([O-])=O)=O)C)C'
p10791
S'C=C(C1(CCC(=CC1)C))C'
p10792
tp10793
sI3598
(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-])))'
p10794
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-])))'
p10795
tp10796
sI3599
(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'
p10797
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'
p10798
tp10799
sI3600
(S'C([N+])CC1(=CC(I)=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p10800
S'C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC=C(O)C=C2))'
p10801
tp10802
sI3601
(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'
p10803
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'
p10804
tp10805
sI3602
(S'C(O)C2(C(O)C(O)C(O)C(SC(CC1(=CC=CC=C1))=NOS(=O)(=O)[O-])O2)'
p10806
S'C1(C=CC(=CC=1)CC(=NOS(=O)(=O)[O-])[S-])'
p10807
tp10808
sI3603
(S'C1(=C(C(O)=CC(Cl)=C1O)Cl)'
p10809
S'C1(=C(C(=O)C=C(Cl)C1=O)Cl)'
p10810
tp10811
sI3604
(S'CC(=O)NC2(C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(CO)OC(O)2)'
p10812
S'C(O)C1(OC(OP(=O)([O-])[O-])C(O)C(O)C(O)1)'
p10813
tp10814
sI3605
(S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(CO)12))[CH](CCC(=O)3)4))'
p10815
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(C=O)12))[CH](CCC(=O)3)4))'
p10816
tp10817
sI3606
(S'C=C1(C(C(C(=O)[O-])C(C([O-])=O)=O)C1)'
p10818
S'C=C1(CC(CC(=O)C(=O)[O-])1)'
p10819
tp10820
sI3607
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p10821
S'C(N=CC=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))CC2(C=C(C(=CC=2)O)O)'
p10822
tp10823
sI3608
(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)))'
p10824
S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p10825
tp10826
sI3609
(S'COC1(C=C(C=CC=1O)CC(C(CC2(C=CC(=C(C=2)OC)O))CO)CO)'
p10827
S'COC5(C(OC)=CC4(C(C2(C=C1(OCOC1=CC=2)))=C3(C(=O)OCC3=CC=4C=5)))'
p10828
tp10829
sI3610
(S'CC(O)C(=O)C'
p10830
S'CC(C(C)=O)=O'
p10831
tp10832
sI3611
(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+])'
p10833
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)'
p10834
tp10835
sI3612
(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)))'
p10836
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)))'
p10837
tp10838
sI3613
(S'C1(C(=C(O)N=C(O)C=1)O)'
p10839
S'C1(=C(C(=O)NC(O)=C1)[O-])'
p10840
tp10841
sI3614
(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'
p10842
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'
p10843
tp10844
sI3615
(S'C(O)C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p10845
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)))'
p10846
tp10847
sI3616
(S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2))'
p10848
S'C(O)C2(=NC1(C(=O)NC(N)=NC=1NC2))'
p10849
tp10850
sI3617
(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)'
p10851
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)'
p10852
tp10853
sI3618
(S'C(O)C1(O)(CC(=O)C(O)=C(O)C1)'
p10854
S'COC1(C(=O)CC(CO)(O)CC(O)=1)'
p10855
tp10856
sI3619
(S'C(C1(C(=CC=CC=1)NC=O))=O'
p10857
S'C(C1(C(=CC=CC=1)N))=O'
p10858
tp10859
sI3620
(S'C([O-])(=O)CC1(Cl)(OC(=O)C=C1)'
p10860
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p10861
tp10862
sI3621
(S'C(O)C(=O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p10863
S'C(=O)C(O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p10864
tp10865
sI3622
(S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p10866
S'CC(C)=CCC3(C(=CC(=C1(C(OC=C(C1=O)C2(C(O)=CC(O)=CC=2))=3))O)[O-])'
p10867
tp10868
sI3623
(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)))))'
p10869
S'C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))'
p10870
tp10871
sI3624
(S'C(O)C(O)C(O)C(=O)C(O)C(=O)[O-]'
p10872
S'C(C(C(C(C(C([O-])=O)=O)=O)O)O)O'
p10873
tp10874
sI3625
(S'C1=CC(=C(C=C1CC(C(=O)O)N)O)O'
p10875
S'C1=CC(=CC(=C1)O)CC(=O)O'
p10876
tp10877
sI3626
(S'C=C(Cl)C(=O)[O-]'
p10878
S'CC(Cl)(O)C(=O)[O-]'
p10879
tp10880
sI3627
(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))))'
p10881
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)))))'
p10882
tp10883
sI3628
(S'C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2))'
p10884
S'C(O)C1(OC(OP(=O)([O-])[O-])C(O)C(O)C(O)1)'
p10885
tp10886
sI3629
(S'C(C(C(C(CO)=O)O)O)OP([O-])([O-])=O'
p10887
S'CC(=O)C(O)COP(=O)([O-])[O-]'
p10888
tp10889
sI3630
(S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p10890
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)'
p10891
tp10892
sI3631
(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'
p10893
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)'
p10894
tp10895
sI3632
(S'C(CO)[N+](C)(C)C'
p10896
S'C[N+](C)(C[CH]=O)C'
p10897
tp10898
sI3633
(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'
p10899
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'
p10900
tp10901
sI3634
(S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CCC3)))'
p10902
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)C(O)CC3)))'
p10903
tp10904
sI3635
(S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP([O-])([O-])=O'
p10905
S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP(OP([O-])([O-])=O)([O-])=O'
p10906
tp10907
sI3636
(S'C=CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10908
S'C=CC(O)CC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p10909
tp10910
sI3637
(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)))'
p10911
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)))'
p10912
tp10913
sI3638
(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-])))'
p10914
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)'
p10915
tp10916
sI3639
(S'CCCCCC=CC=C1(C(CCCCCCCC([O-])=O)O1)'
p10917
S'CCCCCC=CCC(C(CCCCCCCC([O-])=O)O)=O'
p10918
tp10919
sI3640
(S'C1(SC(CS(=O)(=O)[O-])NC1C(=O)[O-])'
p10920
S'C(CS(=O)(=O)[O-])SCC([N+])C(=O)[O-]'
p10921
tp10922
sI3641
(S'C(CC(=O)C(=O)[O-])CC(=O)[O-]'
p10923
S'C(CC([O-])=O)CC(=O)[O-]'
p10924
tp10925
sI3642
(S'COC1(=CC=CC2(=C1C(=CN2)CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3)))'
p10926
S'COC2(=C1(C(NC=C(CC(=NOS(=O)([O-])=O)[S-])1)=CC=C2))'
p10927
tp10928
sI3643
(S'C(=O)C=CC1(=CC=C(O)C(O)=C1)'
p10929
S'[CH](=O)C=CC(=C[CH]=O)C=C(O)C([O-])=O'
p10930
tp10931
sI3644
(S'CC(C=CC1(C(CC(C=C1C)=O)(C)C)O)=CC(=O)OC2(C(O)C(O)C(O)C(CO)O2)'
p10932
S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p10933
tp10934
sI3645
(S'CCCCOCN(C(=O)CCl)C1(=C(CC)C=CC=C(CC)1)'
p10935
S'CCC1(C=CC=C(CC)C(N(C(=O)CCl)CO)=1)'
p10936
tp10937
sI3646
(S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p10938
S'CCC=CCC=CCC1(OC1CCCCCCCC(=O)[O-])'
p10939
tp10940
sI3647
(S'C(O)C1(=C(O)C=CC(O)=C1)'
p10941
S'C(O)C1(=CC(=O)C2(OC(C(=O)1)2))'
p10942
tp10943
sI3648
(S'C(C(CCCO)=O)(=O)[O-]'
p10944
S'C=CCC(=O)C(=O)[O-]'
p10945
tp10946
sI3649
(S'CC1(C([N+](=O)[O-])=CC(N=O)=CC([N+]([O-])=O)=1)'
p10947
S'CC1(C([N+](=O)[O-])=CC(NO)=CC([N+]([O-])=O)=1)'
p10948
tp10949
sI3650
(S'[O-]S(=O)(=O)SS(=O)([O-])=O'
p10950
S'[O-]S([O-])=O'
p10951
tp10952
sI3651
(S'C(C(N)=O)C(=O)C([O-])=O'
p10953
S'C(C([O-])=O)C(=O)C([O-])=O'
p10954
tp10955
sI3652
(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)))'
p10956
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)COP([O-])(=O)[O-])O)O)O)))O'
p10957
tp10958
sI3653
(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))))'
p10959
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))))'
p10960
tp10961
sI3654
(S'CC2(N1(C(=O)C5(C(N=C1C(NC(=O)2)CC3(C4(C(NC=3)=CC=CC=4)))=CC=CC=5)))'
p10962
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))'
p10963
tp10964
sI3655
(S'C1(N=CC=CC=1C(O)CCC(=O)[O-])'
p10965
S'C1(N=CC=CC(C=CCC(=O)[O-])=1)'
p10966
tp10967
sI3656
(S'CC1(=CCCC2(C)(CCC3(=C(C)CCC(CC12)C(C)(C)3)))'
p10968
S'CC1(CCC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))'
p10969
tp10970
sI3657
(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'
p10971
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'
p10972
tp10973
sI3658
(S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(=CC4(=CNC=N4))NC(=O)5))'
p10974
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))'
p10975
tp10976
sI3659
(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-]))'
p10977
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-]))'
p10978
tp10979
sI3660
(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))))))'
p10980
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))'
p10981
tp10982
sI3661
(S'COC2(C=C3(OC(C1(=CC=C(O)C(O)=C1))=C(OC)C(=O)C(=C(O)C(O)=2)3))'
p10983
S'COC1(C(O)=CC(=CC=1)C2(OC3(C(C(=O)C=2OC)=C(O)C(O)=C(OC)C=3)))'
p10984
tp10985
sI3662
(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)))'
p10986
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)))'
p10987
tp10988
sI3663
(S'CC(NCCCCC([O-])=O)=O'
p10989
S'C(CC[N+])CC(=O)[O-]'
p10990
tp10991
sI3664
(S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))'
p10992
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))'
p10993
tp10994
sI3665
(S'C1(C2(=C(C(O)=CC(O)=1)C(C=C([O-])C(=O)2)=O))'
p10995
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))'
p10996
tp10997
sI3666
(S'C(C(O)CO)O'
p10998
S'C(C(CO)=O)O'
p10999
tp11000
sI3667
(S'C1(C(C(C(C(C1O)O)=O)O)O)O'
p11001
S'C1(O)(C(O)C(O)C(=O)C(O)C(O)1)'
p11002
tp11003
sI3668
(S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC(C([O-])=O)=C(N)1))O2)'
p11004
S'C2([N+]=CN(C1(OC(COP([O-])(=O)[O-])C(O)C(O)1))C(N)=2)'
p11005
tp11006
sI3669
(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)'
p11007
S'C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p11008
tp11009
sI3670
(S'C1(=CC(O)C(O)C(=C1)Cl)'
p11010
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p11011
tp11012
sI3671
(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'
p11013
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))'
p11014
tp11015
sI3672
(S'COC1(C=C(C=CC(O)=1)OC2(OC[CH]3(C(OC[CH]23)C4(=CC=C5(OCOC(=C4)5)))))'
p11016
S'C1(C=C6(OCOC(=CC=1C2(OC[CH]3(C(OC[CH]23)OC4(=CC5(OCOC(C=C4)=5)))))6))'
p11017
tp11018
sI3673
(S'CC(C1(=C(CC2(=CC=CC(=C(C1=O)2)O))CC(=O)CC(=O)[O-]))=O'
p11019
S'CC(=O)C2(=C(CC(O)CC([O-])=O)CC1(C=CC=C(O)C=1C(=O)2))'
p11020
tp11021
sI3674
(S'C(CC([O-])=O)S'
p11022
S'C(=O)(CCS(=O)[O-])[O-]'
p11023
tp11024
sI3675
(S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p11025
S'C1(C(=CC(O)=C(C=1)C3(=COC2(C=C(C=CC=2C(=O)3)O)))O)'
p11026
tp11027
sI3676
(S'CC(C)(CO)C(C([O-])=O)O'
p11028
S'CC(C(=O)C([O-])=O)(CO)C'
p11029
tp11030
sI3677
(S'C2(OC1(C=C(C(O)=CC=1C=C2)OC))(=O)'
p11031
S'COC1(C=C2(OC(=O)C=CC(=CC=1OC)2))'
p11032
tp11033
sI3678
(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))'
p11034
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))'
p11035
tp11036
sI3679
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p11037
S'C1(NC2(C=CC=CC(C(CC(=O)NC(CCC(=O)N)C([O-])=O)=1)=2))'
p11038
tp11039
sI3680
(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))'
p11040
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))'
p11041
tp11042
sI3681
(S'C(O)C1(OC(OP(=O)([O-])[O-])C([N+])C(O)C(O)1)'
p11043
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)))'
p11044
tp11045
sI3682
(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))))'
p11046
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'
p11047
tp11048
sI3683
(S'CC(C(O)(CC(=O)[O-])C([O-])=O)C'
p11049
S'CC(C(C(=O)[O-])=CC(=O)[O-])C'
p11050
tp11051
sI3684
(S'C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]'
p11052
S'C(=O)([O-])C=C(CCC([O-])=O)C(=O)[O-]'
p11053
tp11054
sI3685
(S'CC(C(C([O-])=O)=O)C'
p11055
S'CC(C)[CH]=O'
p11056
tp11057
sI3686
(S'C(=O)([O-])C([N+])C(O)COP([O-])(=O)[O-]'
p11058
S'C(=O)([O-])C([N+])C(=O)COP(=O)([O-])[O-]'
p11059
tp11060
sI3687
(S'CP([O-])(=O)OC1(C(C(C(O1)COP(=O)([O-])[O-])O)O)'
p11061
S'C(C1(OC2(C(C1O)OP(O2)([O-])=O)))OP([O-])([O-])=O'
p11062
tp11063
sI3688
(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'
p11064
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'
p11065
tp11066
sI3689
(S'CCC1(OC(=O)C=CC=CC=CCC(O)CC(O)C=CCC(=O)C(C)C(O)CCC1)'
p11067
S'CCC1(OC(=O)C=CC=CC=CCC(O)CC=CC=CC(=O)C(C)C(CCC1)O)'
p11068
tp11069
sI3690
(S'C([O-])(=O)C1(=C[CH](O)C(O)(Cl)C(Cl)=C1)'
p11070
S'C([O-])(=O)C1(C=C(C(=C(O)C=1)O)Cl)'
p11071
tp11072
sI3691
(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'
p11073
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'
p11074
tp11075
sI3692
(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'
p11076
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)'
p11077
tp11078
sI3693
(S'C([O-])(=O)C3(=CC=C2(C1(C(O)C(O)C(O)O1)CCC(=O)C2=C3))'
p11079
S'C([O-])(=O)C2(=CC=C1(C(O)=CC=C(O)C1=C2))'
p11080
tp11081
sI3694
(S'[CH](=O)C(O)CO'
p11082
S'C(=O)([O-])C(O)CO'
p11083
tp11084
sI3695
(S'C(O[N+](=O)[O-])C(O)CO[N+](=O)[O-]'
p11085
S'C(O[N+](=O)[O-])C(O)CO'
p11086
tp11087
sI3696
(S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(C=O)=C)C))'
p11088
S'CC2(CC[CH]1([CH]([CH](C(C([O-])=O)=C)CCC(C)1)C=2))'
p11089
tp11090
sI3697
(S'C1(C3(C(=O)C2(CC(CC1C2)(C3)O)))'
p11091
S'C1(C3(C(=O)OC2(CC(CC1C2)(O)C3)))'
p11092
tp11093
sI3698
(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))'
p11094
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))'
p11095
tp11096
sI3699
(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'
p11097
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'
p11098
tp11099
sI3700
(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))))'
p11100
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))))'
p11101
tp11102
sI3701
(S'C4(C2(C(=CC=C1(OCOC1=2))C3(C=CC5(C=C6(OCOC(=CC(C=3N(C)4)=5)6)))))'
p11103
S'C2(C5(=C6(OCOC(=CC(O)=C(C1(C=CC3(C=C4(OCOC(=CC(C=1N(C)2)=3)4))))5)6)))'
p11104
tp11105
sI3702
(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)'
p11106
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)'
p11107
tp11108
sI3703
(S'CC1(C(NO)=CC([N+](=O)[O-])=CC([N+](=O)[O-])=1)'
p11109
S'CC1(C([N+])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p11110
tp11111
sI3704
(S'C(C=C(C([O-])=O)N)=C[CH]=O'
p11112
S'C1(=CC=CC(=N1)C([O-])=O)'
p11113
tp11114
sI3705
(S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p11115
S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p11116
tp11117
sI3706
(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)'
p11118
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)'
p11119
tp11120
sI3707
(S'C[S+](C)CCC[N+]'
p11121
S'C[S+](C)CCC=O'
p11122
tp11123
sI3708
(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)))))'
p11124
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)))))'
p11125
tp11126
sI3709
(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)'
p11127
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)'
p11128
tp11129
sI3710
(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)'
p11130
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)'
p11131
tp11132
sI3711
(S'C(=O)(N)OP(=O)([O-])[O-]'
p11133
S'C(=O)([O-])CC(NC(N)=O)C([O-])=O'
p11134
tp11135
sI3712
(S'C1(C(=N([O-])=O)C(C(CC1=[N+](O)[O-])=N(=O)[O-])=O)'
p11136
S'C1(C(=N([O-])=O)C(C(CC1[N+](=O)[O-])=N(=O)[O-])=O)'
p11137
tp11138
sI3713
(S'C1(C=C(O)C(O)=CC=1C(O)C#N)'
p11139
S'C(C(C1(C=CC(=C(O)C=1)O))OC2(OC(C(C(C2O)O)O)CO))#N'
p11140
tp11141
sI3714
(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)'
p11142
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)'
p11143
tp11144
sI3715
(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)))'
p11145
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)))'
p11146
tp11147
sI3716
(S'[CH](=O)CC=CCCCCCCCC(=O)[O-]'
p11148
S'[CH](C=CCCCCCCCCC(=O)[O-])=O'
p11149
tp11150
sI3717
(S'C1(=O)(NC=C(C(=O)[O-])CC1)'
p11151
S'C(=O)C(C([O-])=O)CCC([O-])=O'
p11152
tp11153
sI3718
(S'COC1(C=C(C=CC=1O)CC(C(CC2(C=CC(=C(C=2)OC)O))CO)CO)'
p11154
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)'
p11155
tp11156
sI3719
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p11157
S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p11158
tp11159
sI3720
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p11160
S'C1(=CC=C(C([O-])=O)C=N1)'
p11161
tp11162
sI3721
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)[S-])'
p11163
S'C2(=C(C1(C=CC=CC=1N2))CC(=NO)SC3(OC(CO)C(O)C(O)C(O)3))'
p11164
tp11165
sI3722
(S'C(CO)[N+]'
p11166
S'C(C[N+])OP([O-])([O-])=O'
p11167
tp11168
sI3723
(S'C1(C=C(O)C=CC=1C([O-])=CC(=O)C2(=CC=C(O)C=C(O)2))'
p11169
S'COC2(=CC(O)=CC=C(C(=O)C=C([O-])C1(=CC=C(O)C=C1))2)'
p11170
tp11171
sI3724
(S'CCCCCCCCCCCCCCCC(C(COP([O-])(=O)[O-])[N+])O'
p11172
S'CCCCCCCCCCCCCCC[CH]=O'
p11173
tp11174
sI3725
(S'[C-]1(C([N-]C(NC1=O)=O)=O)'
p11175
S'C(NC(N)=O)(CC(=O)[O-])=O'
p11176
tp11177
sI3726
(S'C1(C([N+])C(O)C(O)C(O)C(O)1)'
p11178
S'C1(C([N+])C(O)C(O)C(O)C(=O)1)'
p11179
tp11180
sI3727
(S'COC3(=C(OC)C=CC(CC1([N+]CCC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p11181
S'COC3(=C(OC)C=CC(CC1(NC=CC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p11182
tp11183
sI3728
(S'C1(=C(C=CC(=N1)O)C(=O)[O-])'
p11184
S'C1(C(O)=CC=C(O)N=1)'
p11185
tp11186
sI3729
(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))))'
p11187
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))))'
p11188
tp11189
sI3730
(S'C(O)CCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p11190
S'C(OC(C1(C=CC=CC=1))=O)CCC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2)'
p11191
tp11192
sI3731
(S'C(CCC([O-])=O)O'
p11193
S'C([CH]=O)CC(=O)[O-]'
p11194
tp11195
sI3732
(S'C1(C=CC(=C(C=1)[N+](=O)[O-])[O-])'
p11196
S'C1(C=CC(=C(C=1)O)O)'
p11197
tp11198
sI3733
(S'C1(=CC(=CC=C1Cl)[N+]([O-])=O)'
p11199
S'C1(=CC(=CC=C1Cl)N=O)'
p11200
tp11201
sI3734
(S'CCCC1(=[N+]CCCC1)'
p11202
S'CCCC1(N=CC(O)CC1)'
p11203
tp11204
sI3735
(S'COC1(C(=O)CC(CO)(O)CC(O)=1)'
p11205
S'COC1(=C(O)CC(CO)(O)CC(=O)1)'
p11206
tp11207
sI3736
(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))))'
p11208
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))))'
p11209
tp11210
sI3737
(S'C(CC1(C2(=C(NC=1)C=CC=C2)))=O'
p11211
S'C2(=C(CCO)C1(C=CC=CC=1N2))'
p11212
tp11213
sI3738
(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)))'
p11214
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)))'
p11215
tp11216
sI3739
(S'C([O-])(=O)C(=O)CCC1(=CC=C(C=C1)O)'
p11217
S'C([O-])(=O)C([N+])CCC1(=CC=C(C=C1)O)'
p11218
tp11219
sI3740
(S'[NH3]'
p11220
S'NO'
p11221
tp11222
sI3741
(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'
p11223
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'
p11224
tp11225
sI3742
(S'C(CC[CH]=O)NC(N)=[N+]'
p11226
S'C([O-])(=O)CCCNC(=[N+])N'
p11227
tp11228
sI3743
(S'COC1(=CC=C(C=C1)C2(=COC3(C=C(O)C(OC)=CC(C(=O)2)=3)))'
p11229
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))'
p11230
tp11231
sI3744
(S'C1(N4([CH](C2(=C(C1)C=C(C(=C2)O)OC))CC3(=C(C(=C(OC)C=C3)O)C4)))'
p11232
S'COC1(=C(O)C2(=C(C=C1)C=C3([N+](=C2)CCC4(=C3C=C(O)C(OC)=C4))))'
p11233
tp11234
sI3745
(S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p11235
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p11236
tp11237
sI3746
(S'C(NC=O)C(=O)NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p11238
S'C(NC=O)C(=[N+])NC1(C(O)C(O)C(COP([O-])(=O)[O-])O1)'
p11239
tp11240
sI3747
(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'
p11241
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'
p11242
tp11243
sI3748
(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)))'
p11244
S'C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))O'
p11245
tp11246
sI3749
(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)))'
p11247
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)'
p11248
tp11249
sI3750
(S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC=C(C=3)O)'
p11250
S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)'
p11251
tp11252
sI3751
(S'C(OP([O-])(=O)[O-])C(O)C1(C([O-])=C(O)C(=O)O1)'
p11253
S'C(OP([O-])([O-])=O)C(O)C(C(C(C([O-])=O)O)=O)O'
p11254
tp11255
sI3752
(S'[CH](=O)C1(=CC(=CC=C(O)1)O)'
p11256
S'C(=O)([O-])C1(=C(O)C=CC(O)=C1)'
p11257
tp11258
sI3753
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=C3)OC))'
p11259
S'COC1(=CC(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C=C(OC)C=3)))'
p11260
tp11261
sI3754
(S'C1(=C(CC(O)C([O-])=O)NC=N1)'
p11262
S'C1(NC=NC(CC(=O)C(=O)[O-])=1)'
p11263
tp11264
sI3755
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p11265
S'CC2(C(=O)C(O)C1(CO)(C4(C(OC(C)=O)C(O)C(OC1C=2)C3(OC3)4)(C)))'
p11266
tp11267
sI3756
(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)'
p11268
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)'
p11269
tp11270
sI3757
(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'
p11271
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'
p11272
tp11273
sI3758
(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)))'
p11274
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)))'
p11275
tp11276
sI3759
(S'C(CCC(NCCC(=O)[O-])C(=O)[O-])NC(=[N+])N'
p11277
S'C(CCC(C(=O)[O-])N1(CCC(=O)1))NC(=[N+])N'
p11278
tp11279
sI3760
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC(O)2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p11280
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)))'
p11281
tp11282
sI3761
(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))))'
p11283
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))))'
p11284
tp11285
sI3762
(S'C(=O)([O-])C(O)CO'
p11286
S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p11287
tp11288
sI3763
(S'CCC=CCC=CCC=CCCCCCCCC(=O)[O-]'
p11289
S'CCC=CCC1(OC1CC=CCCCCCCCC(=O)[O-])'
p11290
tp11291
sI3764
(S'CC3(C2(C=CC(OC1(OC(CO)C(O)C(O)C(O)1))=CC=2OC(=O)C=3))'
p11292
S'CC3(C2(C=CC(OC1(OC(COC(=O)CC(=O)[O-])C(O)C(O)C(O)1))=CC=2OC(=O)C=3))'
p11293
tp11294
sI3765
(S'COC2(=C(OC)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p11295
S'COC1(C=CC(=CC=1)C2(OC3(=CC(OC)=C(OC)C(O)=C(C(=O)C=2)3)))'
p11296
tp11297
sI3766
(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))'
p11298
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))'
p11299
tp11300
sI3767
(S'C1(C=C(C(=C(C=1)Cl)O)O)'
p11301
S'C([O-])(=O)C=CC=C(C([O-])=O)Cl'
p11302
tp11303
sI3768
(S'CC=C(C)C=C(C)C=C(C=CC=C(C(C1(=CC(CCO)NC(=O)1))=O)C)C'
p11304
S'CC=C(CO)C=C(C)C=C(C=CC=C(C(=O)C1(=CC(CCO)NC(=O)1))C)C'
p11305
tp11306
sI3769
(S'C([N+])C(O)CCN(O)C(=O)CCC(=O)NCC(O)CCN(O)C(=O)CCC(=O)[O-]'
p11307
S'C1(N(O)C(=O)CCC(=O)NCC(O)CCN(O)C(=O)CCC(=O)NCC(O)C1)'
p11308
tp11309
sI3770
(S'C(=C(Cl)Cl)Cl'
p11310
S'C(CO)(Cl)(Cl)Cl'
p11311
tp11312
sI3771
(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)))'
p11313
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)))'
p11314
tp11315
sI3772
(S'C(O)C(C(=O)[O-])OC1(OC(COP(=O)([O-])[O-])C(C(C1O)O)O)'
p11316
S'C(=O)([O-])C(O)CO'
p11317
tp11318
sI3773
(S'COC1(=CC(C=CC([O-])=O)=C(O)C=C(O)1)'
p11319
S'COC2(C=C1(C(OC(=O)C=C1)=CC=2O))'
p11320
tp11321
sI3774
(S'C2(C=CC(C=CC1(=CC(=CC(=C1)O)O))=CC=2)'
p11322
S'COC1(C=C(C=C(C=1)C=CC2(C=CC=CC=2))O)'
p11323
tp11324
sI3775
(S'C(=O)([O-])C=CC1(=CC=C(O)C=C1)'
p11325
S'C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)'
p11326
tp11327
sI3776
(S'C(C(=O)CC(=O)[O-])[N+](C)(C)C'
p11328
S'CC(=O)C[N+](C)(C)C'
p11329
tp11330
sI3777
(S'C([N+])CC[N+]CCCC[N+]'
p11331
S'C([N+])CC[N+]CCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O'
p11332
tp11333
sI3778
(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'
p11334
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'
p11335
tp11336
sI3779
(S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p11337
S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p11338
tp11339
sI3780
(S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(O)=C(C(=C2)OC)O))C(OC3)=O))'
p11340
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(OC)=C(C(=C2)OC)O))C(OC3)=O))'
p11341
tp11342
sI3781
(S'CCC'
p11343
S'CC(O)C'
p11344
tp11345
sI3782
(S'CC(C=CC12(C(CC(CC1(C)O2)O)(C)C))=CC=O'
p11346
S'CC(=CC=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p11347
tp11348
sI3783
(S'CC(C)C(C(=O)[O-])NC(=O)CC2(=CNC1(C=CC=CC=12))'
p11349
S'CC(C(NC(CC2(C1(=C(C=C(C=C1)O)NC=2)))=O)C([O-])=O)C'
p11350
tp11351
sI3784
(S'CCC(C(=O)[O-])C(C([O-])=O)O'
p11352
S'CCCC(=O)C(=O)[O-]'
p11353
tp11354
sI3785
(S'C(=O)([O-])C(O)CO'
p11355
S'[CH](=O)C(O)C(=O)[O-]'
p11356
tp11357
sI3786
(S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)'
p11358
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-])))'
p11359
tp11360
sI3787
(S'C1(NC=NC=1C(C(O)COP(=O)([O-])[O-])O)'
p11361
S'C1(NC=NC=1CC(COP([O-])(=O)[O-])=O)'
p11362
tp11363
sI3788
(S'CC(C(C(COP([O-])(=O)[O-])O)=O)=O'
p11364
S'CC(C(C(COP([O-])(=O)[O-])=O)O)=O'
p11365
tp11366
sI3789
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p11367
S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])[S-])'
p11368
tp11369
sI3790
(S'C2(C=CC1(=C(C(CO)=CN1)C=2))'
p11370
S'C2(C=CC1(=C(C(C=O)=CN1)C=2))'
p11371
tp11372
sI3791
(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'
p11373
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'
p11374
tp11375
sI3792
(S'C1(=O)(C(O)C[CH](N(C)1)C2(C=NC=CC=2))'
p11376
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))'
p11377
tp11378
sI3793
(S'CC1(CCC3(C(C=O)=CC2(CC(C)(C)CC123)))'
p11379
S'CC1(CCC3(C(C([O-])=O)=CC2(CC(C)(C)CC123)))'
p11380
tp11381
sI3794
(S'C1(CCC([N+](C)(C)1)C([O-])=O)'
p11382
S'C1(CCC(C([O-])=O)[N+](C)1)'
p11383
tp11384
sI3795
(S'C(C1(C=CC=CC=1))O'
p11385
S'CC(=O)OCC1(C=CC=CC=1)'
p11386
tp11387
sI3796
(S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p11388
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)))))'
p11389
tp11390
sI3797
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p11391
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))'
p11392
tp11393
sI3798
(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)'
p11394
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)'
p11395
tp11396
sI3799
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p11397
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p11398
tp11399
sI3800
(S'C(C(=O)[O-])O'
p11400
S'[CH](C(=O)[O-])=O'
p11401
tp11402
sI3801
(S'CC2(O)(O[CH](CC(=O)[O-])CC1(CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p11403
S'CC1(O[CH](CC(=O)[O-])CC2(=CC3(C=CC=C(O)C(C(=O)C=12)=3)))'
p11404
tp11405
sI3802
(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)'
p11406
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'
p11407
tp11408
sI3803
(S'CC2(C=C(O)C=C(O)C(C(CC1(=CC([O-])=CC(=O)O1))=O)=2)'
p11409
S'CC2(C=C(O)C=C1(OC(CC(=O)CC(=O)[O-])=CC(=O)C1=2))'
p11410
tp11411
sI3804
(S'C1(=CC=C(C([O-])=O)C=N1)'
p11412
S'C1(=C(C=CC(=N1)O)C(=O)[O-])'
p11413
tp11414
sI3805
(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)'
p11415
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)'
p11416
tp11417
sI3806
(S'C1(N=CC=CC=1CCCC(=O)[O-])'
p11418
S'C1(N=CC=CC(C=CCC(=O)[O-])=1)'
p11419
tp11420
sI3807
(S'CSCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p11421
S'CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p11422
tp11423
sI3808
(S'CC(=O)N(O)CCCP([O-])(=O)O'
p11424
S'CC(=O)N(O)CC(O)CP([O-])(=O)O'
p11425
tp11426
sI3809
(S'C1(C=C(O)C(O)=CC=1C2(OC3(C(C(=O)C=2[O-])=C(O)C(O)=C(O)C=3)))'
p11427
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)))'
p11428
tp11429
sI3810
(S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))O)'
p11430
S'COC1(C=C(C(=CC=1OC)C3(=COC2(=C(C=CC(O)=C2)C3=O)))OC)'
p11431
tp11432
sI3811
(S'COC1(=CC(=CCCO)C=CC(=O)1)'
p11433
S'COC1(=C(O)C=CC(=C1)C3(OC[CH]4(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p11434
tp11435
sI3812
(S'C1(=C(C=CC(O)=C1)C2(C(O)CC3(C(O2)=CC(O)=CC(O)=3)))'
p11436
S'C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)'
p11437
tp11438
sI3813
(S'C3(C=C1(C(C(O)C2(=CC=CC=C12))=CC=3))'
p11439
S'C1(C=C3(C(=CC=1)C(C2(C(=CC=CC=2)3))=O))'
p11440
tp11441
sI3814
(S'C1(C=C(O)C=CC=1C(O)[CH]2(OC3(C(C(=O)2)=CC=C(C=3)O)))'
p11442
S'C1(C=C(O)C=CC=1C(OO)[CH]2(OC3(C(C(=O)2)=CC=C(O)C=3)))'
p11443
tp11444
sI3815
(S'C(=CC(=O)[O-])C(N)=O'
p11445
S'C([O-])(=O)C=CC([O-])=O'
p11446
tp11447
sI3816
(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)'
p11448
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))'
p11449
tp11450
sI3817
(S'C([Se]CC(C([O-])=O)[N+])CC([N+])C(=O)[O-]'
p11451
S'C(C[Se])C([N+])C(=O)[O-]'
p11452
tp11453
sI3818
(S'CC1(=CCCC(C)=CCC(C(C(=O)[O-])=C)CC1)'
p11454
S'CC2(=CCCC(C)=CC1(OC(=O)C(=C)C1CC2))'
p11455
tp11456
sI3819
(S'CC1(C)([CH]2(CCC1(C)C(=O)C2))'
p11457
S'CC1(C)([CH]2(C(O)CC1(C(=O)C2)C))'
p11458
tp11459
sI3820
(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)))'
p11460
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)'
p11461
tp11462
sI3821
(S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O'
p11463
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'
p11464
tp11465
sI3822
(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'
p11466
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'
p11467
tp11468
sI3823
(S'CC2(C)(CC(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p11469
S'CC2(C)(C(O)C(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p11470
tp11471
sI3824
(S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p11472
S'C(OP([O-])(=O)[O-])C(=O)C(=O)[O-]'
p11473
tp11474
sI3825
(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)'
p11475
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)'
p11476
tp11477
sI3826
(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))'
p11478
S'C=C[CH]4([CH](C[CH]3(C2(NC1(C=CC=CC=1C=2CC[N+]3))))C(C(=O)OC)=COC4O)'
p11479
tp11480
sI3827
(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)))))'
p11481
S'C3(=O)(C(=C2(C(=O)NC1(C(=CC=CC=1)2)))C=C(N3)C4(=CNC5(=C4C=C(O)C=C5)))'
p11482
tp11483
sI3828
(S'CSCCC(=O)C(=O)COP([O-])(=O)[O-]'
p11484
S'CSCCC(C([O-])=COP([O-])(=O)[O-])=O'
p11485
tp11486
sI3829
(S'C1(N(C(N)=O)C(=N)NC1CC(O)CCCC([N+])C([N+])C([O-])=O)'
p11487
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)'
p11488
tp11489
sI3830
(S'CC1(C=C(Cl)C(O)C(O)C(Cl)=1)'
p11490
S'CC1(C=C(Cl)C(O)=C(O)C(Cl)=1)'
p11491
tp11492
sI3831
(S'CC(C2(=CC(=C(C1(=C(C=C(C(=C1)O)C)2))C)O))C'
p11493
S'CC(C2(=CC(C(C1(C(=CC(=C(C=1)O)C)2))(O)C)=O))C'
p11494
tp11495
sI3832
(S'C1(N=C(CCC1)C(=O)[O-])'
p11496
S'C(CC(=O)C(=O)[O-])CC[N+]'
p11497
tp11498
sI3833
(S'CC(C)=CCCC(C)=CCCC(C)=CCC2(C1(C=CC=CC=1[N+](=C(C)C(O)=2)[O-]))'
p11499
S'CC(C)=CCCC(C)=CCCC1(OC1CC3(C2(C=CC=CC=2[N+](=C(C)C(O)=3)[O-])))(C)'
p11500
tp11501
sI3834
(S'CC(C(=O)O)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p11502
S'CC2(=C(C)C1(OC(C)(CCC(=O)O)CCC=1C(C)=C(O)2))'
p11503
tp11504
sI3835
(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))))'
p11505
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))))'
p11506
tp11507
sI3836
(S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C(=O)[O-])O)C))C))C4C5)C)C(=O)[O-])C'
p11508
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'
p11509
tp11510
sI3837
(S'CC(=O)NCCCC(=O)[O-]'
p11511
S'C(C[N+])CC([O-])=O'
p11512
tp11513
sI3838
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O1)N3(C=NC2(C(=O)NC(=O)NC=23)))'
p11514
S'C12(NC(=O)NC(C=1N=CN2)=O)'
p11515
tp11516
sI3839
(S'C(Cl)(Cl)Cl'
p11517
S'C(Cl)Cl'
p11518
tp11519
sI3840
(S'C(Cl)Cl'
p11520
S'[C-]#[O+]'
p11521
tp11522
sI3841
(S'C1(N=C(N=C(N)C=1CO)OC)'
p11523
S'COC1(=NC=C(COP(=O)([O-])OP(=O)([O-])[O-])C(N)=N1)'
p11524
tp11525
sI3842
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)[O-])=O'
p11526
S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p11527
tp11528
sI3843
(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)'
p11529
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'
p11530
tp11531
sI3844
(S'CC(=CC([O-])=O)C=CC1(O)(C(CO)(C)CC(=O)C=C(C)1)'
p11532
S'CC(C=CC1(C2(CC(CC1(C)OC2)=O)(C))O)=CC([O-])=O'
p11533
tp11534
sI3845
(S'C3(C(C2(OC1(=CC(=CC(=C1C(C2O)O)O)O)))=CC(O)=C(C(O)=3)O)'
p11535
S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p11536
tp11537
sI3846
(S'CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11538
S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11539
tp11540
sI3847
(S'CC(CO)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p11541
S'CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p11542
tp11543
sI3848
(S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O'
p11544
S'C(C(CC1(=CC=C(C=C1)OC2(=CC(I)=C(C(I)=C2)O)))[N+])([O-])=O'
p11545
tp11546
sI3849
(S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p11547
S'CC(=O)NCCC1(=CNC2(=CC=C(OS([O-])(=O)=O)C=C12))'
p11548
tp11549
sI3850
(S'CC3(O)(OC(=O)C2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C3)))'
p11550
S'CC3(OC(O)C2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C=3)))'
p11551
tp11552
sI3851
(S'C1(C=CC(=CC=1)C2(C=CC=CC=2))'
p11553
S'C1(C=CC(=CC=1)C2(=CC=CC(O)C(O)2))'
p11554
tp11555
sI3852
(S'COC1(=CC(=CC(O)=C(OC)1)C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p11556
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)))'
p11557
tp11558
sI3853
(S'C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p11559
S'C1(C=C2(C(=CC=1)N=C(C(=O)[O-])C=C([O-])2))'
p11560
tp11561
sI3854
(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))))'
p11562
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))))'
p11563
tp11564
sI3855
(S'C(CCCCCCCC1(C(CCCCCCCC(=O)[O-])O1))O'
p11565
S'C(O)CCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]'
p11566
tp11567
sI3856
(S'C(O)C(C(O)C(C(O)C(COP(=O)([O-])[O-])O)O)=O'
p11568
S'C(O)C(=O)C(O)C(O)C(O)C(O)C(O)COP([O-])(=O)[O-]'
p11569
tp11570
sI3857
(S'CC(C)C(C([O-])=O)C(C([O-])=O)O'
p11571
S'CC(C(C(=O)[O-])=CC(=O)[O-])C'
p11572
tp11573
sI3858
(S'CC(=O)NCCC2(=CNC1(=C(C=C(OC)C=C1)2))'
p11574
S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p11575
tp11576
sI3859
(S'C(CCC[N+])NC(=[N+])N'
p11577
S'C(CCCNC(N)=O)[N+]'
p11578
tp11579
sI3860
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C'
p11580
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C'
p11581
tp11582
sI3861
(S'C1(OC2(C(O1)=CC(=CC=2)C3(C(=O)C4(=C(OC=3)C=C(C=C4)O))))'
p11583
S'C3(OC4(=CC(O)=CC=C(C(=O)C(C2(C=C1(OCOC1=CC(O)=2)))=3)4))'
p11584
tp11585
sI3862
(S'C(Cl)C1(C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p11586
S'C(Cl)C(O)C(O)C(O)C=O'
p11587
tp11588
sI3863
(S'CC1(C=CC(C=O)=CC=1O)'
p11589
S'CC1(C=CC(=CC(O)=1)C([O-])=O)'
p11590
tp11591
sI3864
(S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p11592
S'CC3(C1(OC2(C=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p11593
tp11594
sI3865
(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))'
p11595
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))'
p11596
tp11597
sI3866
(S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p11598
S'CC(C)=CCC3(=C(C1(=C(OC=C(C1=O)C2(=CC=C(O)C=C2))C=C([O-])3))O)'
p11599
tp11600
sI3867
(S'COC1(C=C(C=C(O)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p11601
S'COC1(C=C(C=C(OC)C(O)=1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p11602
tp11603
sI3868
(S'CC(=O)C([N+]([O-])=O)=CC=C(O)C([O-])=O'
p11604
S'C(=CC=C(C(=O)[O-])O)[N+](=O)[O-]'
p11605
tp11606
sI3869
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p11607
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p11608
tp11609
sI3870
(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)'
p11610
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)'
p11611
tp11612
sI3871
(S'CC([N+]C(C)(C)C)C(O)C1(C=C(Cl)C=CC=1)'
p11613
S'CC([N+]C(C)(C)C)C(=O)C1(C=CC=C(Cl)C=1)'
p11614
tp11615
sI3872
(S'C(C(CC1(=CC(I)=C(C=C1)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p11616
S'C(=O)([O-])C([N+])CC1(C=CC(=CC=1)OC2(C=CC(O)=CC=2))'
p11617
tp11618
sI3873
(S'C(=O)([O-])CCCCC(O)(C([O-])=O)CC(=O)[O-]'
p11619
S'C(=O)([O-])CCCCC(=O)C([O-])=O'
p11620
tp11621
sI3874
(S'CC=CC1(C=CC(=C(C=1)OC)O)'
p11622
S'CC(OCC=CC1(=CC(=C(C=C1)O)OC))=O'
p11623
tp11624
sI3875
(S'C=C(C1(CCC(=CC1)C))C'
p11625
S'C=C(C1(CCC(=CC1)CO))C'
p11626
tp11627
sI3876
(S'C(#N)[S-]'
p11628
S'CSC#N'
p11629
tp11630
sI3877
(S'CC1(C(=C(C(COP([O-])([O-])=O)=CN=1)C[N+])O)'
p11631
S'CC1(=NC=C(CO)C(C[N+])=C(O)1)'
p11632
tp11633
sI3878
(S'C[CH]=C4(C(C(C=O)C(=O)OC)C[CH]3(N(CCC2(C1(C(=CC=CC=1)NC=23)))C4))'
p11634
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)))'
p11635
tp11636
sI3879
(S'C1(CC=C(C([O-])=O)CN=1)'
p11637
S'C1(=CC=CC[N+]1)'
p11638
tp11639
sI3880
(S'CC(O)(CCO)CC(=O)[O-]'
p11640
S'CC(O)(CCOP(=O)([O-])[O-])CC(=O)[O-]'
p11641
tp11642
sI3881
(S'C2(C=C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)=C3(OC(=O)C=CC=23))'
p11643
S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p11644
tp11645
sI3882
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p11646
S'CC(C)CC(C(=O)[O-])NC(=O)CC2(C1(=CC=CC=C1NC=2))'
p11647
tp11648
sI3883
(S'CC1(C=C([CH]=O)C=CC=1O)'
p11649
S'CC1(C=C(C(=O)[O-])C=CC=1O)'
p11650
tp11651
sI3884
(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)'
p11652
S'C1(O)(C(O)C(OP([O-])(=O)[O-])C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)1)'
p11653
tp11654
sI3885
(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))))'
p11655
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))))'
p11656
tp11657
sI3886
(S'CN3(C(O)CC1(=C(C=C2(C(=C1)OCO2))C(=O)CC4(=CC=C(C(OC)=C(C3)4)OC)))'
p11658
S'CN5(C3(C2(=C(C=C1(OCOC1=C2))C=CC=3C4(=C(C(OC)=C(OC)C=C4)C5))))'
p11659
tp11660
sI3887
(S'C(OP(=O)([O-])[O-])C1(OC(CC(O)1)N2(C=CC(=O)NC(=O)2))'
p11661
S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(COP(=O)([O-])[O-])O2))'
p11662
tp11663
sI3888
(S'COC(=O)C1(C=CC(O)=CC=1)'
p11664
S'CC2(C(O)C(O)C(O)C(OC1(C=CC(C(OC)=O)=CC=1))O2)'
p11665
tp11666
sI3889
(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))))))'
p11667
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'
p11668
tp11669
sI3890
(S'C1(C=C2(OC3(=CC=CC(O)C(OC(=CC=1)2)3O)))'
p11670
S'C2(=CC(O)=C(OC1(=CC=CC(O)=C(O)1))C=C2)'
p11671
tp11672
sI3891
(S'C(CC[N+])[N+]'
p11673
S'C(CCNO)[N+]'
p11674
tp11675
sI3892
(S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p11676
S'CC1(C=CC(=CC=1)O)'
p11677
tp11678
sI3893
(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'
p11679
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'
p11680
tp11681
sI3894
(S'C1(N=C(C2(=C(N=1)NC=N2))NCC3(C=CC=CC=3))'
p11682
S'C(C1(OC(C(C(C1O)O)O)N2(C3(C(=NC=NC(N=C2)=3)NCC4(C=CC=CC=4)))))O'
p11683
tp11684
sI3895
(S'CC(C([O-])=O)NC(CC2(C1(C=CC=CC=1NC=2)))=O'
p11685
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p11686
tp11687
sI3896
(S'C1(N=C(C2(=C(N=1)NC=N2))NCC3(C=CC=CC=3))'
p11688
S'C(C1(OC(C(C(C1O)O)O)N3(C2(N=CN=C(C=2N=C3)NCC4(=CC=CC=C4)))))O'
p11689
tp11690
sI3897
(S'C[N+]CCCC(=O)[O-]'
p11691
S'C(C[N+])CC([O-])=O'
p11692
tp11693
sI3898
(S'C1(C=CC(=CC=1)C2(=CC(=O)C3(=C(O2)C=C(O)C(O)=C(O)3)))'
p11694
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)))'
p11695
tp11696
sI3899
(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'
p11697
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'
p11698
tp11699
sI3900
(S'C3(=CC=C1(C(C2(=CC=CC(O)C(C(=O)1)(O)2))=C3))'
p11700
S'C1(C=C(C(=CC=1)C(=O)[O-])C2(=CC=CC(=C(O)2)O))'
p11701
tp11702
sI3901
(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))))'
p11703
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)))))'
p11704
tp11705
sI3902
(S'C1(=CC=C(N)C(=C1)C2(C=CC=C(O)C(O)=2))'
p11706
S'C(=O)([O-])C(O)=CC=CC(=O)C1(=C(N)C=CC=C1)'
p11707
tp11708
sI3903
(S'C([N+])COC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C(=O)[O-])[N+]'
p11709
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+]'
p11710
tp11711
sI3904
(S'CC1(C(OC(Cl)(C=1)C(C([O-])=O)Cl)=O)'
p11712
S'CC1(=CC(=C(C([O-])=O)Cl)OC(=O)1)'
p11713
tp11714
sI3905
(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-]'
p11715
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-]'
p11716
tp11717
sI3906
(S'C[N+]1([CH]2(CC(O)C(C(OC)=O)[CH]1CC2))'
p11718
S'CN1([CH]2(CC(=O)C(C(OC)=O)[CH]1CC2))'
p11719
tp11720
sI3907
(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)))'
p11721
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)))'
p11722
tp11723
sI3908
(S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p11724
S'COC1(=CC=C2(C(=C1)O[CH]3(C4(O)(C=CC(=O)C=C(OC[CH]23)4))))'
p11725
tp11726
sI3909
(S'C(O)C(O)CC(=O)C(=O)[O-]'
p11727
S'C(O)[CH]=O'
p11728
tp11729
sI3910
(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)'
p11730
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)'
p11731
tp11732
sI3911
(S'CC1(C([N+](=O)[O-])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p11733
S'CC1(C(N=O)=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p11734
tp11735
sI3912
(S'C(=O)(C(C1(C=CC=CC=1))O)[O-]'
p11736
S'C(=O)(C(C1(C=CC=CC=1))=O)[O-]'
p11737
tp11738
sI3913
(S'C[As](C)(=O)[O-]'
p11739
S'C[As](O)C'
p11740
tp11741
sI3914
(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)'
p11742
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)'
p11743
tp11744
sI3915
(S'C(C(CCS)[N+])(=O)[O-]'
p11745
S'[SH2]'
p11746
tp11747
sI3916
(S'C(NO)CCC[N+]'
p11748
S'C([N+])CCCN(O)C(=O)CCC(=O)[O-]'
p11749
tp11750
sI3917
(S'CC(O)(C([O-])=O)CC([N+])C([O-])=O'
p11751
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)'
p11752
tp11753
sI3918
(S'CSCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p11754
S'CS(=O)CCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p11755
tp11756
sI3919
(S'CC(C([N+])C(NCCCCC([N+])C([O-])=O)=O)CC[N+]'
p11757
S'CC1([CH](C(=O)NCCCCC([N+])C([O-])=O)N=CC1)'
p11758
tp11759
sI3920
(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))))'
p11760
S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p11761
tp11762
sI3921
(S'C2(C=CC1(=C(C(O)=CN1)C=2))'
p11763
S'C4(C=CC3(=C(C(=O)C(=C1(C(=O)C2(=C(N1)C=CC=C2)))N3)C=4))'
p11764
tp11765
sI3922
(S'C1(C=C(Cl)C=C(C=1)Cl)'
p11766
S'C1(C(Cl)=CC(O)C(O)C=1Cl)'
p11767
tp11768
sI3923
(S'CC1(=C(O)C(O)=C(C)O1)'
p11769
S'CC1(=C(O)C(OC)=C(C)O1)'
p11770
tp11771
sI3924
(S'CC(C)=CCC1(C(O)=CC=C(C=1)C(NC2(C(=O)OC3(=C(C([O-])=2)C=CC(O)=C3)))=O)'
p11772
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)'
p11773
tp11774
sI3925
(S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p11775
S'CCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCC1(OC(CCCCC)1))COP(=O)([O-])OCC[N+](C)(C)C'
p11776
tp11777
sI3926
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p11778
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p11779
tp11780
sI3927
(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'
p11781
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'
p11782
tp11783
sI3928
(S'C(=CC1(=CC=C(O)C=C1))CO'
p11784
S'C(OC(=O)C=CC1(C=CC(O)=CC=1))C=CC2(C=CC(O)=CC=2)'
p11785
tp11786
sI3929
(S'CSCCCCCCC(=O)C([O-])=O'
p11787
S'CSCCCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p11788
tp11789
sI3930
(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))'
p11790
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)))'
p11791
tp11792
sI3931
(S'CSCC(O)C(O)C(=O)COP([O-])(=O)[O-]'
p11793
S'CSCCC(=O)C(=O)COP([O-])(=O)[O-]'
p11794
tp11795
sI3932
(S'C(O)CSCCS(=O)(=O)[O-]'
p11796
S'C1(OC1)'
p11797
tp11798
sI3933
(S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C(NCC([O-])=O)=O)C2(=CNC1(=CC=CC=C12))'
p11799
S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p11800
tp11801
sI3934
(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)))'
p11802
S'C(O)C1(OC(O)C(O)C(C(O)1)OC2(O[CH]3(CO[CH](C(O)2)C3O)))'
p11803
tp11804
sI3935
(S'C1([N+](C(C2(=C(C1)C=C(C(=C2)O)OC))CC3(=CC(=C(OC)C=C3)O))C)'
p11805
S'C[N+]1(CCC4(=C3(C1CC2(C(=C(O)C(OC)=CC=2)C3=C(O)C(OC)=C4))))'
p11806
tp11807
sI3936
(S'C([O-])(=O)C1(C=C(C(=C(O)C=1)O)Cl)'
p11808
S'C(=O)([O-])C(O)=CC(=CC(Cl)=O)C(=O)[O-]'
p11809
tp11810
sI3937
(S'C2(CC1(C=C5(OCOC(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(CN23)4)))5)))'
p11811
S'C2(CC1(C=C5(OCOC(=CC=1[CH]3(CC4(=CC=C(OC)C(OC)=C(CN23)4)))5)))'
p11812
tp11813
sI3938
(S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(CC2(=CNC=N2))NC(=O)3))=4))'
p11814
S'C=CC(C)(C)C23(CC5(N(C(NC1(C=CC=CC=12))3)C(=O)C(CC4(=CNC=N4))NC(=O)5))'
p11815
tp11816
sI3939
(S'CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O'
p11817
S'CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)O'
p11818
tp11819
sI3940
(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))'
p11820
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))'
p11821
tp11822
sI3941
(S'C(=O)([O-])C1(C=C(Cl)C(O)C(O)C=1)'
p11823
S'C([O-])(=O)C1(C=C(C(=C(O)C=1)O)Cl)'
p11824
tp11825
sI3942
(S'C(CCCCC(=O)[O-])NC(=O)CCCCC[N+]'
p11826
S'C(CCCCC(=O)[O-])[N+]'
p11827
tp11828
sI3943
(S'CC(=O)NC(C([O-])=O)CC[PH](=O)[O-]'
p11829
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-]'
p11830
tp11831
sI3944
(S'C3(=CC(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=C(C=C3O)O)'
p11832
S'C1(C(=CC(O)=C(C=1)C3(=COC2(C=C(C=CC=2C(=O)3)O)))O)'
p11833
tp11834
sI3945
(S'CC(C)C1(C=CC=CC(O)=1)'
p11835
S'CC(C)C1(C=CC=C(O)C(O)=1)'
p11836
tp11837
sI3946
(S'C1(=NC2(=C(NC1)N=C(N)NC(=O)2))'
p11838
S'C2(=O)(C1(=C(NCC=N1)NC(=O)N2))'
p11839
tp11840
sI3947
(S'C1(=O)(NC=C(C(=O)[O-])CC1)'
p11841
S'C1(=C(C=CC(=N1)O)C(=O)[O-])'
p11842
tp11843
sI3948
(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)))'
p11844
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)))'
p11845
tp11846
sI3949
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C=O)))'
p11847
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p11848
tp11849
sI3950
(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))))'
p11850
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))))'
p11851
tp11852
sI3951
(S'CC(C=O)=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p11853
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p11854
tp11855
sI3952
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p11856
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)'
p11857
tp11858
sI3953
(S'C(CC1(=CC=C(C=C1)O))=NO'
p11859
S'C(CC1(=CC=C(C=C1)O))#N'
p11860
tp11861
sI3954
(S'CC(C)C1(=C(C=C2(C(=C1)CC[CH]3(C(C)(C)CCCC(C)23)))O)'
p11862
S'CC(C)C1(=C(O)C(O)=C2(C(=C1)CC[CH]3(C(C(=O)[O-])2CCCC(C)(C)3)))'
p11863
tp11864
sI3955
(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)'
p11865
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)'
p11866
tp11867
sI3956
(S'CC(CCCC(C)CO)CCCC(C)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p11868
S'CC(C(=O)O)CCCC1(C)(CCC2(=C(O1)C(C)=C(C)C(O)=C(C)2))'
p11869
tp11870
sI3957
(S'CSCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p11871
S'CSCCCCCC(S)=NO'
p11872
tp11873
sI3958
(S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)CO)C))C'
p11874
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C=O)C))C'
p11875
tp11876
sI3959
(S'C(C(=O)[O-])N(C)C(N)=[N+]'
p11877
S'C[N+]CC(=O)[O-]'
p11878
tp11879
sI3960
(S'C1(=C(C(O)=CC(Cl)=C1O)Cl)'
p11880
S'C1(C(O)=CC(=C(C=1)O)Cl)'
p11881
tp11882
sI3961
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p11883
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'
p11884
tp11885
sI3962
(S'[As](=O)(O)([O-])[O-]'
p11886
S'[As](O)([O-])O'
p11887
tp11888
sI3963
(S'C[N+]'
p11889
S'CNC(=O)CCC([N+])C(=O)[O-]'
p11890
tp11891
sI3964
(S'CCC(=O)C(=O)[O-]'
p11892
S'C(C(CCCO)=O)(=O)[O-]'
p11893
tp11894
sI3965
(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)'
p11895
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)'
p11896
tp11897
sI3966
(S'C1(C2(=C(C(O)=CC(O)=1)C(C=C([O-])C(=O)2)=O))'
p11898
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))'
p11899
tp11900
sI3967
(S'C([O-])(=O)CC(=CC=C(C([O-])=O)O)C([O-])=O'
p11901
S'C(CC(C=CC(C([O-])=O)=O)C([O-])=O)([O-])=O'
p11902
tp11903
sI3968
(S'COC4(C(=C(O)C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=4)OC)'
p11904
S'COC4(C=C(CC3(C(CC2(=CC1(=C(OCO1)C=C2)))COC3=O))C=C(C=4OC)OC)'
p11905
tp11906
sI3969
(S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)OC))(CC5))))'
p11907
S'C[N+]5(C1(C4(C3(C2(=C(C1)C=CC(=C2OC3C(=CC=4)OC)O))(CC5))))'
p11908
tp11909
sI3970
(S'CC(C2(CCC(=C1([CH](C=C(CC1)C)2))C))C'
p11910
S'CC(C2(CCC(=C1(C(C=C(CC1O)C)2))C))C'
p11911
tp11912
sI3971
(S'C2(=CC(=O)OC3(=CC1(OC=CC=1C(=C23)O)))'
p11913
S'COC2(C1(=C(OC=C1)C=C3(OC(=O)C=CC=23)))'
p11914
tp11915
sI3972
(S'[CH](=O)CC([N+])C(=O)[O-]'
p11916
S'C1(C(O)CC(=NC1C([O-])=O)C([O-])=O)'
p11917
tp11918
sI3973
(S'C(OP([O-])(=O)[O-])C(O)CO'
p11919
S'C(C(=O)CO)OP([O-])([O-])=O'
p11920
tp11921
sI3974
(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))))'
p11922
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p11923
tp11924
sI3975
(S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p11925
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))'
p11926
tp11927
sI3976
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p11928
S'C1(=CC(=C(O)C=C1C[CH]=O)O)'
p11929
tp11930
sI3977
(S'C(C(=O)NC=O)=CC(=O)[O-]'
p11931
S'C(=CC(=O)[O-])C(N)=O'
p11932
tp11933
sI3978
(S'C([N+])CC[N+]CCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O'
p11934
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'
p11935
tp11936
sI3979
(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'
p11937
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'
p11938
tp11939
sI3980
(S'C1(NC(=[N+])N)(C(O)C(O)C(OP(=O)([O-])[O-])C(O)C(O)1)'
p11940
S'C1(NC(=[N+])N)(C(O)C(O)C(O)C(O)C(O)1)'
p11941
tp11942
sI3981
(S'C(=O)([O-])OP([O-])(=O)O'
p11943
S'C(=O)([O-])N'
p11944
tp11945
sI3982
(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))))'
p11946
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))))'
p11947
tp11948
sI3983
(S'C2(C=C(O)C=CC(C=CC(=O)C1(C(=CC(O)=CC=1)O))=2)'
p11949
S'C1(C=C(O)C=CC=1C(OO)[CH]2(OC3(C(C(=O)2)=CC=C(O)C=3)))'
p11950
tp11951
sI3984
(S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CC[CH]3CC(=O)CC4))'
p11952
S'CC34([CH]2([CH]([CH]1(C(C)(C(O)CC1)CC2))CCC3=CC(=O)CC4))'
p11953
tp11954
sI3985
(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'
p11955
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'
p11956
tp11957
sI3986
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p11958
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)))'
p11959
tp11960
sI3987
(S'CN2(C(=O)N(C)C(C1(O)(N(C)C(=O)N=C12))=O)'
p11961
S'CNC(=O)N(C)C1(C(C([O-])=O)(O)N(C)C(=O)N=1)'
p11962
tp11963
sI3988
(S'C[N+](CCOP([O-])([O-])=O)C'
p11964
S'C[N+](CCOP([O-])([O-])=O)(C)C'
p11965
tp11966
sI3989
(S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C'
p11967
S'CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C'
p11968
tp11969
sI3990
(S'C1(O)(C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p11970
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)'
p11971
tp11972
sI3991
(S'C1(=C(O)C=C2(C(=C1)[CH]3([CH](O2)C4(=C(OC3)C=C(O)C=C4))))'
p11973
S'CC(=CCC4(=C3(O[CH]2([CH](COC1(C=C(O)C=CC=12))C3=CC=C(O)4))))C'
p11974
tp11975
sI3992
(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)))'
p11976
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)'
p11977
tp11978
sI3993
(S'CN2(C1(C(=O)NC(=O)[N-]C=1[N+](=C2)C3(C(O)C(C(CO)O3)O)))'
p11979
S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p11980
tp11981
sI3994
(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)'
p11982
S'CC(O)C([N+])C1(C(O)C(O)C(O)C(SC)O1)'
p11983
tp11984
sI3995
(S'C(OP([O-])(=O)[O-])C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p11985
S'C(O)C1(C([N+])C(O)C(O1)N2(C3(=C(N=C2)C(N)=NC=N3)))'
p11986
tp11987
sI3996
(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))'
p11988
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))'
p11989
tp11990
sI3997
(S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p11991
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p11992
tp11993
sI3998
(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'
p11994
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'
p11995
tp11996
sI3999
(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)'
p11997
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)'
p11998
tp11999
sI4000
(S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1C([O-])=O)=2))'
p12000
S'CC3(O)(OC(=O)C2(C(=O)C1(=C(C(O)=C(OC)C=C(OC)1)C(=O)C=2C3)))'
p12001
tp12002
sI4001
(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)))'
p12003
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)'
p12004
tp12005
sI4002
(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)'
p12006
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)'
p12007
tp12008
sI4003
(S'CC24(CCC(O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p12009
S'CC24(CCC(=O)CC(=CC[CH]1([CH]3(CCC(=O)C(CC[CH]12)(C)3)))4)'
p12010
tp12011
sI4004
(S'CC(C)C([N+])CC([O-])=O'
p12012
S'CC(C)C(CC([O-])=O)=O'
p12013
tp12014
sI4005
(S'CCCCCCCCCCCCCCC(O)C(C(COP([O-])(=O)[O-])[N+])O'
p12015
S'CCCCCCCCCCCCCCC(O)C(C(CO)[N+])O'
p12016
tp12017
sI4006
(S'C(=O)([O-])C1(C=C(N)C(O)=CC=1)'
p12018
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)))'
p12019
tp12020
sI4007
(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)'
p12021
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-])))'
p12022
tp12023
sI4008
(S'C([O-])(=O)O'
p12024
S'C(C([O-])=O)C(=O)C([O-])=O'
p12025
tp12026
sI4009
(S'CC(O)C[N+]'
p12027
S'CC(C[N+])OP(=O)([O-])[O-]'
p12028
tp12029
sI4010
(S'C=C(C1(CC2(C(CCC(C(=CC1)2)O)C)C))C'
p12030
S'C=C(C1(CC2(C(C(CC(C(=CC1)2)O)O)C)C))C'
p12031
tp12032
sI4011
(S'CC1(=NC=C(C(=C1O)CO)CO)'
p12033
S'CC1(N=CC(=C(C=1O)C=O)CO)'
p12034
tp12035
sI4012
(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'
p12036
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'
p12037
tp12038
sI4013
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p12039
S'C1(NC2(C(C(CC=O)=1)=CC(=CC=2)O))'
p12040
tp12041
sI4014
(S'CC1(C=CC=CC=1)'
p12042
S'C1(C=CC(=CC=1)CC(CC(=O)[O-])C(=O)[O-])'
p12043
tp12044
sI4015
(S'CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))'
p12045
S'CC1([N+](=CSC(CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(C=NC(C)=NC(N)=2))'
p12046
tp12047
sI4016
(S'CCC1(OC1CC=CCC=CCCCCCCCC(=O)[O-])'
p12048
S'CCC(O)C(O)CC=CCC=CCCCCCCCC(=O)[O-]'
p12049
tp12050
sI4017
(S'C([O-])(=O)CC1(C=CC(=C(C=1)O)O)'
p12051
S'C(=O)C(=CC=C(C([O-])=O)O)CC([O-])=O'
p12052
tp12053
sI4018
(S'C(OP(=O)([O-])[O-])C(O)C(=O)[O-]'
p12054
S'C(C(C([O-])=O)OC1(C(C(C(C(O1)CO)O)O)O))OP([O-])([O-])=O'
p12055
tp12056
sI4019
(S'C3(C(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=CC=C(C=3)O)'
p12057
S'C3(=CC(C1(C(C2(=CC=C(C=C(OC1)2)O))=O))=C(C=C3O)O)'
p12058
tp12059
sI4020
(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)'
p12060
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)'
p12061
tp12062
sI4021
(S'CC([N+])C([O-])=O'
p12063
S'CC([N+])C(=O)NC(C)C([O-])=O'
p12064
tp12065
sI4022
(S'C(O)CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p12066
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)'
p12067
tp12068
sI4023
(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'
p12069
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'
p12070
tp12071
sI4024
(S'C(C[Se])C([N+])C(=O)[O-]'
p12072
S'C[Se]CCC(C([O-])=O)[N+]'
p12073
tp12074
sI4025
(S'C(=O)C(O)C(O)C(O)C([N+])CO'
p12075
S'C(O)C1(C(O)C(O)C(O)C(O)[N+]1)'
p12076
tp12077
sI4026
(S'CC1(C(O)=C(C)C(O)=C(C(=O)[O-])C(CO)=1)'
p12078
S'CC2(=C1(C(C(=O)OC1)=C(O)C(C)=C(O)2))'
p12079
tp12080
sI4027
(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)))))'
p12081
S'CCC4([CH]3(C5(C(O)C26(C1(C(=CC=CC=1)N[CH]2[CH](C3)N(C(O)4)[CH]5C6)))))'
p12082
tp12083
sI4028
(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)))'
p12084
S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(OC)=C(O)C(OC)=C3)))'
p12085
tp12086
sI4029
(S'CC1(C=CC(=CC=1[N+](=O)[O-])[N+]([O-])=O)'
p12087
S'CC1(C([N+](=O)[O-])=CC(=C(C=1)O)O)'
p12088
tp12089
sI4030
(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)))'
p12090
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))'
p12091
tp12092
sI4031
(S'C(Cl)CO'
p12093
S'C([CH]=O)Cl'
p12094
tp12095
sI4032
(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)))'
p12096
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)))))'
p12097
tp12098
sI4033
(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)))'
p12099
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))'
p12100
tp12101
sI4034
(S'C(CC[N+]C(CCC([O-])=O)C([O-])=O)CC([N+])C([O-])=O'
p12102
S'[CH](=O)CCCC([N+])C(=O)[O-]'
p12103
tp12104
sI4035
(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'
p12105
S'C(C1(C(C(C(C(C=1)[N+]C2(C(C(C(C(C2)CO)O)O)O))O)O)O))O'
p12106
tp12107
sI4036
(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))'
p12108
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))'
p12109
tp12110
sI4037
(S'C(NC(C(=O)[O-])CC([O-])=O)(=O)CC1(C(NC2(=CC=CC=C12))=O)'
p12111
S'C(CC2(C(=O)NC1(=CC=CC=C12)))([O-])=O'
p12112
tp12113
sI4038
(S'C(C(CO)=O)O'
p12114
S'C(C(O)CO)O'
p12115
tp12116
sI4039
(S'C=C(OP([O-])([O-])=O)C([O-])=O'
p12117
S'C(C(=O)C([O-])=O)P([O-])(O)=O'
p12118
tp12119
sI4040
(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'
p12120
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)'
p12121
tp12122
sI4041
(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)'
p12123
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)'
p12124
tp12125
sI4042
(S'CSCC(C([O-])=O)[N+]'
p12126
S'C(=O)([O-])C([N+])CS(=O)C'
p12127
tp12128
sI4043
(S'CCCC(=O)[O-]'
p12129
S'CCCC(OP([O-])([O-])=O)=O'
p12130
tp12131
sI4044
(S'CCCC1(C=CC=C(O)C(O)=1)'
p12132
S'CCCC(=O)C=CC=C(O)C(=O)[O-]'
p12133
tp12134
sI4045
(S'CCC=CCC1(C(=O)C=CC(CCCCCCCC([O-])=O)1)'
p12135
S'C=CC=CCC1(=C(C)C(O)CC(=O)1)'
p12136
tp12137
sI4046
(S'CC(C)=CCC1(C(O)=CC=C(C=1)CC(C(=O)[O-])=O)'
p12138
S'CC(C)=CCC1(C(O)=CC=C(C=1)C(C([O-])=O)O)'
p12139
tp12140
sI4047
(S'CC(C)=CCCC1(C)([CH](O)CCC2(C)([CH]1CC[CH]3(C(C)2C4(=C(C3)C5(=C(N4)C=CC=C5)))))'
p12141
S'CC1(OC1CCC2(C)([CH](O)CCC3(C)([CH]2CC[CH]4(C(C)3C5(=C(C4)C6(=C(N5)C=CC=C6))))))(C)'
p12142
tp12143
sI4048
(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)'
p12144
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)'
p12145
tp12146
sI4049
(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-])))'
p12147
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)'
p12148
tp12149
sI4050
(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)'
p12150
S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p12151
tp12152
sI4051
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p12153
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p12154
tp12155
sI4052
(S'CCCCCCCCCCCCCCC(O)C(C(CO)[N+])O'
p12156
S'CCCCCCCCCCCCCCC(O)C(C(COP([O-])(=O)[O-])[N+])O'
p12157
tp12158
sI4053
(S'C(=O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p12159
S'C(O)C=C2(O[CH]1(N(C(=O)C1)C(C([O-])=O)2))'
p12160
tp12161
sI4054
(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'
p12162
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'
p12163
tp12164
sI4055
(S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p12165
S'C(#N)C(SCC([N+])C([O-])=O)C2(=CNC1(=CC=CC=C12))'
p12166
tp12167
sI4056
(S'CC(C)CC(C([O-])=O)=O'
p12168
S'CC(C)C[CH]=O'
p12169
tp12170
sI4057
(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)))'
p12171
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))))))))'
p12172
tp12173
sI4058
(S'CC(O)C'
p12174
S'CC(=O)C'
p12175
tp12176
sI4059
(S'C(NC(=O)N)CC([O-])=O'
p12177
S'C(C[N+])C([O-])=O'
p12178
tp12179
sI4060
(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))'
p12180
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))'
p12181
tp12182
sI4061
(S'C[N+]CCC([O-])=O'
p12183
S'C[N+](CCC([O-])=O)C'
p12184
tp12185
sI4062
(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))))'
p12186
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))))'
p12187
tp12188
sI4063
(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-]'
p12189
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'
p12190
tp12191
sI4064
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p12192
S'CC(C)C1(C(=O)C(C)[CH]3(C=1CC(O)C(C)[CH]2(CCC(O)(COC)C2=C3)))'
p12193
tp12194
sI4065
(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'
p12195
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'
p12196
tp12197
sI4066
(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'
p12198
S'CC(C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1))=CC=CC=C(C)C=CC=O'
p12199
tp12200
sI4067
(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)))))'
p12201
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))))))'
p12202
tp12203
sI4068
(S'C(C([O-])=O)C(=O)C([O-])=O'
p12204
S'C=C(OP([O-])([O-])=O)C([O-])=O'
p12205
tp12206
sI4069
(S'C1(=O)(C(N)=C(S)C(=CS)N1)'
p12207
S'CC(=O)NC1(C(=O)NC(=CS)C(S)=1)'
p12208
tp12209
sI4070
(S'[CH](CP([O-])(O)=O)=O'
p12210
S'C(C([O-])=O)P([O-])(=O)O'
p12211
tp12212
sI4071
(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)))'
p12213
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))))'
p12214
tp12215
sI4072
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p12216
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p12217
tp12218
sI4073
(S'C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)'
p12219
S'C([O-])(=O)C([N+])CC(=O)C1(=C(N)C(O)=CC=C1)'
p12220
tp12221
sI4074
(S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))'
p12222
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))'
p12223
tp12224
sI4075
(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)))'
p12225
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)))'
p12226
tp12227
sI4076
(S'CC(C)C1(C=CC(C(=O)[O-])=C(C=1O)O)'
p12228
S'CC(C)C(=O)C=CC(C(=O)[O-])=C(O)C([O-])=O'
p12229
tp12230
sI4077
(S'CC(=O)C1(C=CC(S(=O)(=O)[O-])=CC=1)'
p12231
S'CC(=O)OC1(C=CC(S(=O)(=O)[O-])=CC=1)'
p12232
tp12233
sI4078
(S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p12234
S'CC(C)C([N+])C(=O)NC(CCCNC(=[N+])N)C(NC(C(=O)[O-])CC(O)CP(=O)([O-])O)=O'
p12235
tp12236
sI4079
(S'CC(C3(CCC2(C1(C(C(CCC1)(C)C)CCC=2C=3)C)))C'
p12237
S'CC(C3(CCC2(C1(C(C(CCC1)(CO)C)CCC=2C=3)C)))C'
p12238
tp12239
sI4080
(S'C1(=C(CC(C([O-])=O)O)C2(=CC=CC=C(N1)2))'
p12240
S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p12241
tp12242
sI4081
(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'
p12243
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'
p12244
tp12245
sI4082
(S'CCCCC1(C(=O)C([O-])=C(C)O1)'
p12246
S'CCCC=C1(C(=O)C([O-])=C(C)O1)'
p12247
tp12248
sI4083
(S'C2(C=CC1(=CC=C(C(=C1O2)O)O))(=O)'
p12249
S'C2(C=C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)=C3(OC(=O)C=CC=23))'
p12250
tp12251
sI4084
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p12252
S'C1(C=C(O)C=CC=1C3(C(C2(C(=CC(O)=CC(O)=2)OC(O)3))=O))'
p12253
tp12254
sI4085
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(OC)=CC=1))OC2=C3)OC))'
p12255
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=C3)OC))'
p12256
tp12257
sI4086
(S'CCCCCC=CC=CC(CCCCCCCC([O-])=O)OO'
p12258
S'CCCCCC=CC=C1(C(CCCCCCCC([O-])=O)O1)'
p12259
tp12260
sI4087
(S'CC(CC(C([O-])=O)=O)=O'
p12261
S'CC([O-])=O'
p12262
tp12263
sI4088
(S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p12264
S'CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p12265
tp12266
sI4089
(S'C1(NC2(N=C(NC(C(=N1)O)=2)O))'
p12267
S'C12(NC(=O)NC=1C(=O)NC(=O)N2)'
p12268
tp12269
sI4090
(S'C1(=C(C(O)=CC(=C1Cl)O)O)'
p12270
S'C1(=CC(=O)C([O-])=CC(=O)1)'
p12271
tp12272
sI4091
(S'C(OP(=O)([O-])[O-])C1(C(O)C([N+])C(O)(CO)O1)'
p12273
S'C(=[N+])C(O)C(O)COP([O-])(=O)[O-]'
p12274
tp12275
sI4092
(S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p12276
S'C=CCC(=O)C(=O)[O-]'
p12277
tp12278
sI4093
(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))'
p12279
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))'
p12280
tp12281
sI4094
(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))'
p12282
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))'
p12283
tp12284
sI4095
(S'CC1(OC2(C)(CCC1CC2))(C)'
p12285
S'CC1(C2(C(CC(O1)(CC2)C)O))C'
p12286
tp12287
sI4096
(S'CC(=CCCC(=CCCC(=CCCC1(C)(OC2(C(CC1)=CC(=CC=2C)O)))C)C)C'
p12288
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=CC(O)=C1))C)C'
p12289
tp12290
sI4097
(S'CCC=CCC1(OC1CC=CCCCCCCCC(=O)[O-])'
p12291
S'CCC=CCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p12292
tp12293
sI4098
(S'CC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C'
p12294
S'CC(O)(C)C#N'
p12295
tp12296
sI4099
(S'C(CC[N+])CC(=O)[O-]'
p12297
S'[CH](CCCC(=O)[O-])=O'
p12298
tp12299
sI4100
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p12300
S'C(C(CC1(=CC(I)=C(C(=C1)I)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p12301
tp12302
sI4101
(S'CCC[CH]=O'
p12303
S'CCCC(=O)[O-]'
p12304
tp12305
sI4102
(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))))'
p12306
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))))'
p12307
tp12308
sI4103
(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))))'
p12309
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))))'
p12310
tp12311
sI4104
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p12312
S'CC34([CH]2(CCC1(C)([CH](CCC(C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p12313
tp12314
sI4105
(S'CC(C(CC(=O)C([O-])=O)=O)=CC([O-])=O'
p12315
S'CC(=CC(=O)[O-])C(=O)[O-]'
p12316
tp12317
sI4106
(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))'
p12318
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))'
p12319
tp12320
sI4107
(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)))))'
p12321
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)))))'
p12322
tp12323
sI4108
(S'CCCCCCCCCCCCCC=CC(O)C([N+])CO'
p12324
S'CCCCCCCCCCCCCC=CC(O)C([N+])COP(=O)([O-])[O-]'
p12325
tp12326
sI4109
(S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(O)C(O2)=3)OC)))'
p12327
S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(OC)C(O2)=3)OC)))'
p12328
tp12329
sI4110
(S'C=CC(=O)N'
p12330
S'C=CC([O-])=O'
p12331
tp12332
sI4111
(S'CC1(CCC(C)(CC=1)C2(C)(CCC(O)C(=C)2))'
p12333
S'CC1(CCC(C)(CC=1)C3(C)(CCC(O)C2(OC2)3))'
p12334
tp12335
sI4112
(S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p12336
S'CC(=CC=O)C'
p12337
tp12338
sI4113
(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)))'
p12339
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)'
p12340
tp12341
sI4114
(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)))))'
p12342
S'CCC1(O)(C(=O)OCC2(=C1C=C3(N(C(=O)2)CC4(C3=NC5(=C(C=4)C=CC=C5)))))'
p12343
tp12344
sI4115
(S'C(N)=O'
p12345
S'C#N'
p12346
tp12347
sI4116
(S'CCC(O)C1([N+]CCCC1)'
p12348
S'CCC(=O)C1([N+]CCCC1)'
p12349
tp12350
sI4117
(S'CC1(=CC2(=C(C(O)=C1)C(O)=CC=C2))'
p12351
S'CC2(C(C1(=CC=CC(=C1C(C=2)=O)O))=O)'
p12352
tp12353
sI4118
(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))))'
p12354
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)'
p12355
tp12356
sI4119
(S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p12357
S'COC3(C=CC2(C(=O)C(C1(=CC=C(O)C=C1))=COC=2C=3))'
p12358
tp12359
sI4120
(S'CC1(C(=C(C=C(C=1)O)O)O)'
p12360
S'CC(=O)CC(CC(C([O-])=O)=O)=O'
p12361
tp12362
sI4121
(S'COC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C(O)5)'
p12363
S'COC1(C=C(C=CC(O)=1)OC2(OC[CH]3(C(OC[CH]23)C4(=CC=C5(OCOC(=C4)5)))))'
p12364
tp12365
sI4122
(S'C(OP(=O)([O-])[O-])C(C(C([O-])=O)O)O'
p12366
S'C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]'
p12367
tp12368
sI4123
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))'
p12369
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(CO)C(O)CCC(C)1C=2CCC(C)34))))'
p12370
tp12371
sI4124
(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))'
p12372
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))'
p12373
tp12374
sI4125
(S'C(O)C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p12375
S'C2(=C(C(N)=O)C1(C(N)=NC=NC=1N2C3(C(C(C(CO)O3)O)O)))'
p12376
tp12377
sI4126
(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))'
p12378
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))'
p12379
tp12380
sI4127
(S'CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]'
p12381
S'CSCCCCCCCC(=O)C([O-])=O'
p12382
tp12383
sI4128
(S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p12384
S'CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))'
p12385
tp12386
sI4129
(S'C1(=CC(=O)OC(=CC(=O)[O-])1)'
p12387
S'C(=CC(=O)[O-])C(=O)CC([O-])=O'
p12388
tp12389
sI4130
(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)'
p12390
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))))'
p12391
tp12392
sI4131
(S'C(C1(=C(C(=CN1)CCC(=O)[O-])CC(=O)[O-]))[N+]'
p12393
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)))'
p12394
tp12395
sI4132
(S'CC(C)=CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2CC=C4(C(C)3CCC(O)C4))))'
p12396
S'CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p12397
tp12398
sI4133
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p12399
S'CC(=O)NCCC2(=CNC1(=C(C=C(O)C=C1)2))'
p12400
tp12401
sI4134
(S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p12402
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)'
p12403
tp12404
sI4135
(S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(C=O)12))[CH](CCC(=O)3)4))'
p12405
S'CC12([CH](CCC(=O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p12406
tp12407
sI4136
(S'C(C1(C=CCC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p12408
S'C(C1(C=CCC2(=C1NC3(C=CC=CC(N2)=3))))(=O)[O-]'
p12409
tp12410
sI4137
(S'C(=O)([O-])CC(O)C([O-])=O'
p12411
S'C(C([O-])=O)=CC(=O)[O-]'
p12412
tp12413
sI4138
(S'CN3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p12414
S'CN3([CH](C1(C(=CC2(OCOC(C(O)=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p12415
tp12416
sI4139
(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))))))'
p12417
S'CC1(C)(OC23(OC1C(=O)C=C2[CH]4(C(C)(CC3)C5(C)([CH](CC4)CC6(=C5NC7(=C6C=CC=C7))))))'
p12418
tp12419
sI4140
(S'C(C2(OC(OC1(C=CC=CC=1C=CC([O-])=O))C(C(C2O)O)O))O'
p12420
S'C(C2(OC(OC1(C=CC=CC=1C=CC(=O)[O-]))C(C(C2O)O)O))O'
p12421
tp12422
sI4141
(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)))'
p12423
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)))'
p12424
tp12425
sI4142
(S'CC1(=NC(C)=C(C)N=C(C)1)'
p12426
S'CC(=C(C)NC(C)=O)NC(C)=O'
p12427
tp12428
sI4143
(S'C1(N=CC(C(=O)N)=CC=1)'
p12429
S'C(C1(=CN=CC=C1))#N'
p12430
tp12431
sI4144
(S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p12432
S'COC3(=CC(O)=C(C2(C(C1(=C(C=C(C=C1)O)OC=2))=O))C=C3)'
p12433
tp12434
sI4145
(S'C(=NO)CC2(=CNC1(=C(C=CC=C1)2))'
p12435
S'C(=NO)CC1(=CNC2(C=CC=CC1=2))'
p12436
tp12437
sI4146
(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)))'
p12438
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)))'
p12439
tp12440
sI4147
(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)'
p12441
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)'
p12442
tp12443
sI4148
(S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)[O-])C'
p12444
S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)OC)C'
p12445
tp12446
sI4149
(S'C1(=CC3(=C(C=C1)NC2(=C(C=CC=C2)3)))'
p12447
S'C1(=CC=C(N)C(=C1)C2(C=CC=C(O)C(O)=2))'
p12448
tp12449
sI4150
(S'C(=C(Cl)Cl)Cl'
p12450
S'[CH](Cl)=[CH]Cl'
p12451
tp12452
sI4151
(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'
p12453
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)))))'
p12454
tp12455
sI4152
(S'C(OP(=O)([O-])[O-])C1(OC(CO)(O)C(O)C(O)1)'
p12456
S'C(C1(C(C(C(O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]'
p12457
tp12458
sI4153
(S'C(CCC1(=CC=CC=C1))([O-])=O'
p12459
S'C(CCC1(=CC=CC(C(O)1)O))(=O)[O-]'
p12460
tp12461
sI4154
(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))'
p12462
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'
p12463
tp12464
sI4155
(S'CC1(CCCC2(C3(CCC4(CC(CCC12)3CC4C([O-])=O)))C)C=O'
p12465
S'CC12(CCCC(C1CCC34(C2CCC(C3)C(C4)C([O-])=O))(C)C([O-])=O)'
p12466
tp12467
sI4156
(S'CN2(C1(=C(NC=N1)C(=O)N(C)C(=O)2))'
p12468
S'CN2(C1(=C(NC(=O)N1)C(=O)N(C)C(=O)2))'
p12469
tp12470
sI4157
(S'CC1(C(CCC2(C3(C(CCC12)(C4(C(=CC3)C5(C(CC4)(CCC(C5)(CO)C)C))C)C))C)O)C'
p12471
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'
p12472
tp12473
sI4158
(S'CCCCCCCCCCCCCCCC(OCC(O)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p12474
S'CCCCCCCCCCCCCCCC(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)([O-])=O)=O'
p12475
tp12476
sI4159
(S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p12477
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)'
p12478
tp12479
sI4160
(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-]))'
p12480
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-]))'
p12481
tp12482
sI4161
(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'
p12483
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)'
p12484
tp12485
sI4162
(S'CC(CCC(O)C(O)C(O)CO)C1(CCC2(C)(C1CCC3(C)(C2CCC4(C(C)3CCC5(C(C)4CCCC(C)(C)5)))))'
p12486
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)))'
p12487
tp12488
sI4163
(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)'
p12489
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)'
p12490
tp12491
sI4164
(S'COC1(=CC(CCC=O)=CC=C(O)1)'
p12492
S'COC1(=C(C=CC(=C1)CCCO)O)'
p12493
tp12494
sI4165
(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)))))))'
p12495
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))))))'
p12496
tp12497
sI4166
(S'C(C(C(C(=O)[O-])O)O)O'
p12498
S'C(C(C(C([O-])=O)O)O)([O-])=O'
p12499
tp12500
sI4167
(S'C1(C2(=C(OC(=O)C=1)C=C(O)C(O)=C2))'
p12501
S'C2(OC3(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=C2)=CC=C(O)C=3))(=O)'
p12502
tp12503
sI4168
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p12504
S'CC(=CCC1(=C(O)C=C(O)C2(C(=O)CC(OC1=2)C3(=CC=C(O)C=C3))))C'
p12505
tp12506
sI4169
(S'COC1(=CC=C(C=C1)C3(=COC2(C(=CC=C(O)C=2)C3=O)))'
p12507
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))'
p12508
tp12509
sI4170
(S'C4(OC1(C=C(O)C=CC=1[CH]5(OC3(C=C2(OCOC2=CC=3[CH]45)))))'
p12510
S'C4(OC5(=CC1(=C(C2(C(O1)C3(C=CC(O)=CC(OC2)=3))(O))C=C(O4)5)))'
p12511
tp12512
sI4171
(S'CC4(C3(CC[CH]2(C1(CC(O)CC([CH]1CCC2(C3)C=4)(C)C)C)))'
p12513
S'CC1(C(=O)OC(O)C2(C3(CCC4(CC(CCC12)3C5(OC45C))))C)C'
p12514
tp12515
sI4172
(S'C[S+](CCC([N+])C(=O)[O-])C'
p12516
S'C[S+](C)CCC=O'
p12517
tp12518
sI4173
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p12519
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C=C2))'
p12520
tp12521
sI4174
(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))'
p12522
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)'
p12523
tp12524
sI4175
(S'C(C1(C=CC(S([O-])(=O)=O)=CC=1))=O'
p12525
S'C([O-])(=O)C1(C=CC(=CC=1)S([O-])(=O)=O)'
p12526
tp12527
sI4176
(S'C3(C=C(C2(C(=O)C1(C(O)=CC([O-])=CC=1OC=2)))C(O)=CC(O)=3)'
p12528
S'CC(C)=CCC3(=C([O-])C=C2(C(C(=O)C(C1(C(O)=CC(O)=CC=1))=CO2)=C(O)3))'
p12529
tp12530
sI4177
(S'CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]'
p12531
S'CC(C(=O)[O-])=C(C(=O)[O-])CC(=O)[O-]'
p12532
tp12533
sI4178
(S'CC12(OC(=O)C(Cl)C(OC(=O)C(Cl)1)2)'
p12534
S'CC1(=C(Cl)C(=O)OC(=CC([O-])=O)1)'
p12535
tp12536
sI4179
(S'C(=O)([O-])C(O)CO'
p12537
S'C(=O)([O-])C(OP(=O)([O-])[O-])CO'
p12538
tp12539
sI4180
(S'C(O)C(O)C1(C=CC(O)=C(O)C=1)'
p12540
S'COC1(=C(O)C=CC(C(O)CO)=C1)'
p12541
tp12542
sI4181
(S'C(=S)=S'
p12543
S'C(=O)=S'
p12544
tp12545
sI4182
(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'
p12546
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'
p12547
tp12548
sI4183
(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'
p12549
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'
p12550
tp12551
sI4184
(S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p12552
S'C(C(C(CC(C([O-])=O)=O)O)=O)O'
p12553
tp12554
sI4185
(S'C1(O)(C(O)C(O)C(OP([O-])([O-])=O)C(O)C(O)1)'
p12555
S'C1(C(C(C(C(C1O)O)O)O)O)O'
p12556
tp12557
sI4186
(S'CC(C2(CCC(=C1(C(C=C(CC1O)C)2))C))C'
p12558
S'CC(C3(=C(C(=C2(C1(=C(C=C(C=C1OC2)C)3)))O)O))C'
p12559
tp12560
sI4187
(S'C(C=CC1(=CC=CC(C(O)1)O))(=O)[O-]'
p12561
S'C(C=CC1(C(O)=C(O)C=CC=1))(=O)[O-]'
p12562
tp12563
sI4188
(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'
p12564
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'
p12565
tp12566
sI4189
(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'
p12567
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'
p12568
tp12569
sI4190
(S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(CC2(=CNC=N2))NC(=O)3))=4))'
p12570
S'C4(NC1(C=CC=CC=1C(CC3(NC(=O)C(=CC2(=CNC=N2))NC(=O)3))=4))'
p12571
tp12572
sI4191
(S'C(=O)([O-])C1(C=CC(=C(C(=O)[O-])C=1)O)'
p12573
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p12574
tp12575
sI4192
(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)'
p12576
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)))'
p12577
tp12578
sI4193
(S'CC(C(=O)[O-])OP(=O)([O-])[O-]'
p12579
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-]'
p12580
tp12581
sI4194
(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)'
p12582
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)'
p12583
tp12584
sI4195
(S'C=CC2(CC[CH]3(C1(CCC(C([CH]1CC(C(=C2)3)=O)(C)C)O)C))C'
p12585
S'C=CC2(CC[CH]3(C1(CCC(C(C)(C)[CH]1CC(=O)C(=C2)3)=O)C))C'
p12586
tp12587
sI4196
(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)))'
p12588
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)))'
p12589
tp12590
sI4197
(S'CC(C)=CCCC1(OC1CCC(C)=CCCC(C)=CCC3(C2(C=CC=CC=2NC=3)))(C)'
p12591
S'CC(C)=CCCC1(C)([CH](O)CCC2(C)([CH]1CC[CH]3(C(C)2C4(=C(C3)C5(=C(N4)C=CC=C5)))))'
p12592
tp12593
sI4198
(S'CCC(=O)C(C)CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p12594
S'CCC(=O)C(C)=CCCCC(O)CC(O)CCCCCCCCCCCCCCCCCCC1(=CC=C(O)C=C1)'
p12595
tp12596
sI4199
(S'C([O-])(=O)C=CC1(C=CC(O)=CC(O)=1)'
p12597
S'C(=O)([O-])C=CC1(C(O)=CC(O)=CC=1)'
p12598
tp12599
sI4200
(S'C1(O)(C(O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p12600
S'C1(O)(C(OP([O-])(=O)[O-])C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p12601
tp12602
sI4201
(S'C1(OC(C(C(C1O)O)O)O)'
p12603
S'C(C1(C(O)C(O)C(O)O1))O'
p12604
tp12605
sI4202
(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))))'
p12606
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))))'
p12607
tp12608
sI4203
(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'
p12609
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'
p12610
tp12611
sI4204
(S'C(OP(=O)([O-])[O-])C(O)C(O)C(=O)CO'
p12612
S'C(OP([O-])(=O)[O-])C(O)C(O)C(=O)CO'
p12613
tp12614
sI4205
(S'C(C([O-])=O)Cl'
p12615
S'C(C(=O)[O-])O'
p12616
tp12617
sI4206
(S'CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)'
p12618
S'CCCCCC1(=CC(O)=C(C(=C1C([O-])=O)O)C2(C=C(CCC2C(C)=C)C))'
p12619
tp12620
sI4207
(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))))))'
p12621
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))))))'
p12622
tp12623
sI4208
(S'CC(=C(C=C(O)C([O-])=O)O)[CH]=O'
p12624
S'CC([CH]=O)C([O-])=CC(C(=O)[O-])=O'
p12625
tp12626
sI4209
(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))))'
p12627
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))))'
p12628
tp12629
sI4210
(S'CCCC1(=[N+]CCCC1)'
p12630
S'CCCC1([N+]CCCC1)'
p12631
tp12632
sI4211
(S'CSCCCCCCCC([N+])C(=O)[O-]'
p12633
S'CSCCCCCCCC=NO'
p12634
tp12635
sI4212
(S'C2(=C(C1(C=CC=CC=1N2))CC(=O)C(=O)[O-])'
p12636
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p12637
tp12638
sI4213
(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)'
p12639
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)'
p12640
tp12641
sI4214
(S'C(=O)([O-])C(=O)CC(O)C(O)COP([O-])(=O)[O-]'
p12642
S'[CH](=O)C(O)COP(=O)([O-])[O-]'
p12643
tp12644
sI4215
(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)'
p12645
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)'
p12646
tp12647
sI4216
(S'C(=CC1(=CC(=CC(=C1)O)O))C2(C=CC(=CC=2)O)'
p12648
S'COC1(C=C(C=C(C=1)C=CC2(C=CC(=CC=2)O))O)'
p12649
tp12650
sI4217
(S'C1([N+])(C(O)C(O)C(O)C(NC(=[N+])N)C(O)1)'
p12651
S'C1([N+])(C(O)C(O)C(OP([O-])(=O)[O-])C(NC(=[N+])N)C(O)1)'
p12652
tp12653
sI4218
(S'C(O)C(CCC([O-])=O)C([O-])=O'
p12654
S'C=C(C([O-])=O)CCC(=O)[O-]'
p12655
tp12656
sI4219
(S'CC=CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p12657
S'CC=CSCC([N+])C([O-])=O'
p12658
tp12659
sI4220
(S'C([O-])(=O)C1(C=C(C(=C(C=1)O)O)O)'
p12660
S'C1(C=C(O)C(O)=C(C=1)O)'
p12661
tp12662
sI4221
(S'C(OP([O-])([O-])=O)C1(OC(O)C(O)C([N+])C(O)1)'
p12663
S'C(OP(=O)([O-])[O-])C1(C(O)C([N+])C(O)(CO)O1)'
p12664
tp12665
sI4222
(S'[CH](N)=CC(=O)OO'
p12666
S'[CH](N)=CC(=O)[O-]'
p12667
tp12668
sI4223
(S'C1(C(Cl)=C([O-])C(Cl)=C(Cl)C=1O)'
p12669
S'C1(C(=CC(Cl)=C(C=1Cl)[O-])O)'
p12670
tp12671
sI4224
(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'
p12672
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'
p12673
tp12674
sI4225
(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)'
p12675
S'C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O'
p12676
tp12677
sI4226
(S'C(C(O)(CC([O-])=O)C([O-])=O)P([O-])(O)=O'
p12678
S'C(C(C(O)C([O-])=O)C([O-])=O)P([O-])(O)=O'
p12679
tp12680
sI4227
(S'C1(C=CC(CCO)=CC=1)'
p12681
S'C(O)C1(C(C(C(O)C(O1)OCCC2(C=CC=CC=2))O)O)'
p12682
tp12683
sI4228
(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)'
p12684
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)'
p12685
tp12686
sI4229
(S'C([O-])(=O)C1(OC(C(C(C1O)O)O)OP([O-])([O-])=O)'
p12687
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))'
p12688
tp12689
sI4230
(S'CC2(CCC1(C)(C4(C(O)CC(OC1C=2)C3(OC3)4)(C)))'
p12690
S'CC2(CCC1(C)(C4(C(OC(=O)C=CC=CC=CC(=O)[O-])CC(OC1C=2)C3(OC3)4)(C)))'
p12691
tp12692
sI4231
(S'C(CNO)CC([N+])C([O-])=O'
p12693
S'CC(=O)N(O)CCCC([N+])C(=O)[O-]'
p12694
tp12695
sI4232
(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))))'
p12696
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))))'
p12697
tp12698
sI4233
(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)'
p12699
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)'
p12700
tp12701
sI4234
(S'CCNC1(=NC(Cl)=NC(=N1)NC(C)C)'
p12702
S'CCNC1(=NC(NC(C)C)=NC(O)=N1)'
p12703
tp12704
sI4235
(S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC([O-])=O)C)C'
p12705
S'CC(C=CC=C(C=CC([O-])=O)C)=CC=CC=C(C=CC=C(C=CC(OC)=O)C)C'
p12706
tp12707
sI4236
(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)'
p12708
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)'
p12709
tp12710
sI4237
(S'C1(N=C(C2(=C(N=1)N=CN2))NCC3(=CC=CO3))'
p12711
S'C(C1(OC(C(C(C1O)O)O)N2(C3(C(=NC=NC(N=C2)=3)NCC4(=CC=CO4)))))O'
p12712
tp12713
sI4238
(S'C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+]'
p12714
S'C1=CC=C(C(=C1)CC2=CC=C(C=C2)O)O'
p12715
tp12716
sI4239
(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))'
p12717
S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p12718
tp12719
sI4240
(S'CC1(N=C(C(=CN=1)CO)N)'
p12720
S'CC1(N=CC(COP(=O)([O-])[O-])=C(N=1)N)'
p12721
tp12722
sI4241
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(NC=N2)=O)C(=C3)C#N)))'
p12723
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)))'
p12724
tp12725
sI4242
(S'[CH](=O)CC([N+])C(=O)[O-]'
p12726
S'C(C([N+])C(=O)[O-])C(=O)OP([O-])(=O)[O-]'
p12727
tp12728
sI4243
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p12729
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p12730
tp12731
sI4244
(S'C2(CC1(C=C(OC)C(O)=CC=1[CH]3(CC4(C=CC(OC)=C(OC)C(CN23)=4))))'
p12732
S'C2(CC1(C=C(OC)C(=CC=1[CH]3(CC4(=CC=C(OC)C(OC)=C(CN23)4)))OC))'
p12733
tp12734
sI4245
(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-]'
p12735
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'
p12736
tp12737
sI4246
(S'CSCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p12738
S'CSCCCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p12739
tp12740
sI4247
(S'CC(=O)C(=O)C1(=CC=CC=C1)'
p12741
S'CC([N+])C(=O)C1(=CC=CC=C1)'
p12742
tp12743
sI4248
(S'C(O)(C([O-])=O)NC(N)=O'
p12744
S'C([O-])(=O)C(=O)NC(=O)N'
p12745
tp12746
sI4249
(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)))))'
p12747
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)))))'
p12748
tp12749
sI4250
(S'C([O-])(=O)C(=O)C[CH]1(CCCC=C1)'
p12750
S'C([O-])(=O)C([N+])C[CH]1(CCCC=C1)'
p12751
tp12752
sI4251
(S'C(CC(O)C1(=CC=CC=C1))([O-])=O'
p12753
S'C(=O)C1(=CC=CC=C1)'
p12754
tp12755
sI4252
(S'C([N+])CC2(=CNC1(=C(C=CC=C1)2))'
p12756
S'CC1(=NCCC2(=C1NC3(C=C(O)C=CC2=3)))'
p12757
tp12758
sI4253
(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))'
p12759
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)))))))))'
p12760
tp12761
sI4254
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(N)=NC=NC=23)))'
p12762
S'C(O)C1(C(O)C(O)C(OP(=O)([O-])[O-])O1)'
p12763
tp12764
sI4255
(S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p12765
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))'
p12766
tp12767
sI4256
(S'C1(C=C(C(N)=C(O)C=1)C([O-])=O)'
p12768
S'C(=O)([O-])C(=C(C([O-])=O)N)C=C[CH]=O'
p12769
tp12770
sI4257
(S'CC1(=CC=CC(=C1)O)'
p12771
S'C(C1(C=CC=C(C=1)O))O'
p12772
tp12773
sI4258
(S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p12774
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p12775
tp12776
sI4259
(S'O=S(=O)([O-])SSS(=O)(=O)[O-]'
p12777
S'O=S(=O)([O-])S'
p12778
tp12779
sI4260
(S'CC1(C=CC(C)=CC=1)'
p12780
S'CC1(C=CC(=CC=1)CO)'
p12781
tp12782
sI4261
(S'CC2(CCC1(C)(C4(CCC(OC1C=2)C3(OC3)4)(C)))'
p12783
S'CC2(CCC1(C)(C4(C(O)CC(OC1C=2)C3(OC3)4)(C)))'
p12784
tp12785
sI4262
(S'CSCC(C([O-])=O)NC(=O)CCC([N+])C([O-])=O'
p12786
S'CSCC(C([O-])=O)[N+]'
p12787
tp12788
sI4263
(S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p12789
S'C([O-])(=O)C1(C=CC=CC=1NC(=O)C2(C=CC=CC=2))'
p12790
tp12791
sI4264
(S'C(C(CC1(C=CC(O)=C(O)C=1))[N+])(=O)[O-]'
p12792
S'C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)'
p12793
tp12794
sI4265
(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'
p12795
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'
p12796
tp12797
sI4266
(S'CC(C(=O)[O-])[N+]CCC(=O)[O-]'
p12798
S'C(C[N+])C([O-])=O'
p12799
tp12800
sI4267
(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'
p12801
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'
p12802
tp12803
sI4268
(S'CC(O)C(O)C(O)C(O)C([O-])=O'
p12804
S'CC(O)C(O)CC(=O)C([O-])=O'
p12805
tp12806
sI4269
(S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p12807
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)))'
p12808
tp12809
sI4270
(S'CC(CO)CCNC2(=NC=NC1(=C(N=CN1)2))'
p12810
S'CC(CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO'
p12811
tp12812
sI4271
(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)'
p12813
S'C2(C=CC(C(OC1(OC(CO)C(O)C(O)C(O)1))C#N)=CC=2)'
p12814
tp12815
sI4272
(S'CC3(C1(OC2(C(Cl)=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p12816
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(OC)C(C(=O)1)=2))C(OC)=CC(=O)C3)'
p12817
tp12818
sI4273
(S'C[N+]3(C2(CC4(C(C1(=C(OC)C(OC)=C(OC)C=C1C2))(CC3)C=C(C(C=4)=O)OC)))'
p12819
S'COC1(C(C=C3(C(=CC=1)C2(C(=CC(OC)=C(OC)C(OC)=2)CCC3N(C=O)C)))=O)'
p12820
tp12821
sI4274
(S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CC(O)C3)))'
p12822
S'C=CC3(C(C)C2(C(C1(CC(O)C(C(C1CC2)(C)C)O)(C))C(C=3)=O))'
p12823
tp12824
sI4275
(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)))'
p12825
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))))'
p12826
tp12827
sI4276
(S'CC2(C)(CC(C1(CC=C(CO)CC1))=CCC2)'
p12828
S'CC2(C)(CC(C1(CC=C(C=O)CC1))=CCC2)'
p12829
tp12830
sI4277
(S'CC(C)CC([N+])C(=O)NC(=C)P(=O)([O-])O'
p12831
S'CC(C)CC(NC(=O)C[N+])C(NC(=C)P(=O)([O-])O)=O'
p12832
tp12833
sI4278
(S'CC(C1(CCC(CC1=O)C))C'
p12834
S'CC(=C1(CCC(CC1=O)C))C'
p12835
tp12836
sI4279
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p12837
S'C=C(C(=O)[O-])OC1(C=CC=C(C1O)C([O-])=O)'
p12838
tp12839
sI4280
(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)'
p12840
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)'
p12841
tp12842
sI4281
(S'C(C(C(=O)[O-])=O)S'
p12843
S'[SH2]'
p12844
tp12845
sI4282
(S'COC3(=C(C=C(C2(OC1(C=C(C=C(C=1C(C2)=O)O)[O-])))C=C3)O)'
p12846
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)'
p12847
tp12848
sI4283
(S'C(CC(=O)C(=O)[O-])CC[N+]'
p12849
S'C(CC[N+])CC(=O)[O-]'
p12850
tp12851
sI4284
(S'CC2(=C(C(=O)C1(C(O)=C(Cl)C(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p12852
S'CC3(C1(OC2(C(Cl)=C(OC)C=C(O)C(C(=O)1)=2))C(OC)=CC(=O)C=3)'
p12853
tp12854
sI4285
(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'
p12855
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'
p12856
tp12857
sI4286
(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'
p12858
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'
p12859
tp12860
sI4287
(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))))'
p12861
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))))'
p12862
tp12863
sI4288
(S'C(C1(C=CCC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p12864
S'C(C1(=CC=CC2([CH]1NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p12865
tp12866
sI4289
(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)'
p12867
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)'
p12868
tp12869
sI4290
(S'CC(CO)=CCOP(OP([O-])(=O)[O-])(=O)[O-]'
p12870
S'CC1(CO)(OP(=O)([O-])OP(=O)([O-])OCC(O)1)'
p12871
tp12872
sI4291
(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))))))))'
p12873
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))))))))'
p12874
tp12875
sI4292
(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)'
p12876
S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p12877
tp12878
sI4293
(S'CC1(C=CC(Cl)=CC(Cl)=1)'
p12879
S'CC1(C(O)C(O)C(Cl)=CC(Cl)=1)'
p12880
tp12881
sI4294
(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)))'
p12882
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)'
p12883
tp12884
sI4295
(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)))'
p12885
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)))'
p12886
tp12887
sI4296
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p12888
S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p12889
tp12890
sI4297
(S'C(=O)([O-])C([N+])C[N+]'
p12891
S'C([O-])(=O)C=CC(=O)NCC([N+])C([O-])=O'
p12892
tp12893
sI4298
(S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p12894
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)'
p12895
tp12896
sI4299
(S'C([O-])(=O)C([N+])C(O)C(O)C(O)COP([O-])(=O)[O-]'
p12897
S'C(=O)([O-])C(=O)CC(O)C(O)COP([O-])(=O)[O-]'
p12898
tp12899
sI4300
(S'C(CC1(C=C(C(=CC=1)O)O))[N+]'
p12900
S'C1(=C(CC[N+])C=C(OS(=O)(=O)[O-])C(O)=C1)'
p12901
tp12902
sI4301
(S'CNC1(=CC=CC=C1C([O-])=O)'
p12903
S'CNC1(C(=CC=CC=1)C(OC2(OC(C(O)C(O)C(O)2)CO))=O)'
p12904
tp12905
sI4302
(S'CSCCC(C([O-])=O)=O'
p12906
S'CSCCC=O'
p12907
tp12908
sI4303
(S'CN4(C(=O)C1(C(=CC=CC=1)NC(=O)C3(OC(C2(=CC=CC=C2))3)4))'
p12909
S'C1(C=CC(=CC=1)C2(=C([O-])C(=O)NC3(C2=CC=CC=3)))'
p12910
tp12911
sI4304
(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)'
p12912
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)'
p12913
tp12914
sI4305
(S'C1(=C(C(C(Cl)C(Cl)C1Cl)Cl)Cl)'
p12915
S'C1(=C(C(C=C(Cl)C(Cl)1)Cl)Cl)'
p12916
tp12917
sI4306
(S'CC1(=NCCC2(=C1NC3(C=C(OC)C=CC2=3)))'
p12918
S'CC1(=NC=CC2(=C1NC3(C=C(OC)C=CC2=3)))'
p12919
tp12920
sI4307
(S'CC1(C(=O)C[CH]3(C21([CH](CC(C)(C)C2)C=C(C([O-])=O)3)))'
p12921
S'CC1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p12922
tp12923
sI4308
(S'CC(O)CP(O)(=O)[O-]'
p12924
S'C[CH]1(O[CH](P(O)([O-])=O)1)'
p12925
tp12926
sI4309
(S'CC(CO)CCNC2(=NC=NC1(=C(N=CN1)2))'
p12927
S'CC(CCNC1(C2(=C(N=CN=1)N(C=N2)C3(C(C(C(C(O3)CO)O)O)O))))CO'
p12928
tp12929
sI4310
(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)'
p12930
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)'
p12931
tp12932
sI4311
(S'CC1(OC(O)C(NC(C)=O)C(O)C(NC(C)=O)1)'
p12933
S'CC(O)C(NC(=O)C)[CH]1(OC(C(=O)[O-])(O)CC(O)C(NC(C)=O)1)'
p12934
tp12935
sI4312
(S'CC(=CC1(C(COP(=O)([O-])OP(=O)([O-])[O-])C1(C)C))C'
p12936
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'
p12937
tp12938
sI4313
(S'C1(CC=C([N+](C)1)C2(C=NC=CC=2))'
p12939
S'C[N+]CCCC(=O)C1(C=CC=NC=1)'
p12940
tp12941
sI4314
(S'CC(C)=CCCC(C)=CC=O'
p12942
S'CC(=CCCC(C)=O)C'
p12943
tp12944
sI4315
(S'CCCCCCCCCCCC(=O)CC([O-])=O'
p12945
S'CCCCCCCCCCCC(=O)C'
p12946
tp12947
sI4316
(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'
p12948
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'
p12949
tp12950
sI4317
(S'C1(C([N+])C(O)C(O)C(O)C(=O)1)'
p12951
S'C1(C([N+])C(O)C(O)C(O)C([N+])1)'
p12952
tp12953
sI4318
(S'C(=NO)CC1(C=CC=CC=1)'
p12954
S'C1(C=CC(CC=NO)=CC=1)'
p12955
tp12956
sI4319
(S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CCC2=C3)C)C))C'
p12957
S'C=CC3(CC[CH]2(C1(CCCC(C)([CH]1CC(O)C2=C3)C)C))C'
p12958
tp12959
sI4320
(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))'
p12960
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)'
p12961
tp12962
sI4321
(S'C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)'
p12963
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)'
p12964
tp12965
sI4322
(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'
p12966
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'
p12967
tp12968
sI4323
(S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)COP([O-])(=O)[O-]'
p12969
S'C(NC1(NC(NC(=O)C(N)=1)=O))C(O)C(O)C(O)CO'
p12970
tp12971
sI4324
(S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p12972
S'C(C=O)=C(C=C(O)C([O-])=O)C(=O)[O-]'
p12973
tp12974
sI4325
(S'C1(C=CC2(C=C(C=CC(C=1)=2)OC3(OC(C(C(C3O)O)O)CO)))'
p12975
S'C1(C=CC2(C=C(C=CC(C=1)=2)OC3(OC(C(C(C3O)O)O)COC(=O)CC(=O)[O-])))'
p12976
tp12977
sI4326
(S'CCCCCC(O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p12978
S'CCCCCC(=O)C1(=C(O)C2(=C(C=C([O-])1)C(=O)C3(=C(C(=O)2)C(O)=CC([O-])=C3)))'
p12979
tp12980
sI4327
(S'C(P([O-])(O)=O)CC([N+])C([O-])=O'
p12981
S'C(CCP([O-])(=O)OP(OCC2(C(C(C(N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)[N+]'
p12982
tp12983
sI4328
(S'C1(N=C(N=C(C([O-])=O)C=1)O)'
p12984
S'C1(=CC(=NC(=N1)N)C(=O)[O-])'
p12985
tp12986
sI4329
(S'C1(C=CC(=CC=1)C2(=CC=CC(O)=C(O)2))'
p12987
S'C([O-])(=O)C(=CC=CC(C1(C=CC=CC=1))=O)O'
p12988
tp12989
sI4330
(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))))'
p12990
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))))'
p12991
tp12992
sI4331
(S'CC1(=CC3(CC(C)(C)CC2(C(C)CCC12)3))'
p12993
S'CC1(CCC3(C(CO)=CC2(CC(C)(C)CC123)))'
p12994
tp12995
sI4332
(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)'
p12996
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)))'
p12997
tp12998
sI4333
(S'CC2(C)(CC(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p12999
S'CC2(C)(CC(C1(=CC=C(C([O-])=O)CC1))=CCC2)'
p13000
tp13001
sI4334
(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)'
p13002
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)'
p13003
tp13004
sI4335
(S'[CH](=O)C(C(=O)[O-])=CC=C(O)C([O-])=O'
p13005
S'[CH](=O)C=CC=C(O)C(=O)[O-]'
p13006
tp13007
sI4336
(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))))'
p13008
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)'
p13009
tp13010
sI4337
(S'C1(=CC=C(C=C1)C(=O)CC(=O)C2(=C(O)C=C(O)C=C(O)2))'
p13011
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))'
p13012
tp13013
sI4338
(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'
p13014
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)'
p13015
tp13016
sI4339
(S'C[N+](CCCC([O-])=O)(C)C'
p13017
S'C(C(O)CC(=O)[O-])[N+](C)(C)C'
p13018
tp13019
sI4340
(S'CC=C(N)C(=O)[O-]'
p13020
S'CCC(=N)C(=O)[O-]'
p13021
tp13022
sI4341
(S'C(C(=O)[O-])(NC(=O)N)NC(=O)N'
p13023
S'C(O)(C([O-])=O)NC(N)=O'
p13024
tp13025
sI4342
(S'CCC=CCC=CC=CC(CCCCCCCC([O-])=O)OO'
p13026
S'CCC=CCC=CC=C1(C(CCCCCCCC([O-])=O)O1)'
p13027
tp13028
sI4343
(S'C(=O)([O-])CC1(Cl)(OC(=O)C(Cl)=C1)'
p13029
S'C([O-])(=O)C=C(Cl)C=C(Cl)C([O-])=O'
p13030
tp13031
sI4344
(S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p13032
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C=O)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))'
p13033
tp13034
sI4345
(S'C2(=C(CCO)C1(C=CC=CC=1N2))'
p13035
S'C2(=C(C1(C=CC=CC=1N2))C(O)CO)'
p13036
tp13037
sI4346
(S'CC(C)(C)O'
p13038
S'CC(O)(C)CO'
p13039
tp13040
sI4347
(S'C=C1(C3(O)(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p13041
S'C=C3(C2(CCC4(C15(CCCC(C1C(C(C2)(C3)4)C(OC)=O)(C)C(O5)=O)))O)'
p13042
tp13043
sI4348
(S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC'
p13044
S'CCCCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(OC)CC'
p13045
tp13046
sI4349
(S'C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-]'
p13047
S'C(C([O-])=O)C(=O)C([O-])=O'
p13048
tp13049
sI4350
(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'
p13050
S'C1(C(=CC=C(C=1)O)C3(=COC2(C=C(C=CC=2C(=O)3)O)))'
p13051
tp13052
sI4351
(S'C(C(C[N+])=O)CC([O-])=O'
p13053
S'C(C1(=C(C(=CN1)CCC(=O)[O-])CC(=O)[O-]))[N+]'
p13054
tp13055
sI4352
(S'CC1(C=C(O)C(=CC=1O)O)'
p13056
S'CC(=C(C=C(O)C([O-])=O)O)[CH]=O'
p13057
tp13058
sI4353
(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)'
p13059
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)'
p13060
tp13061
sI4354
(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'
p13062
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'
p13063
tp13064
sI4355
(S'CC(C)=CCCC(=CCCC(C)=CC(=O)OC)C'
p13065
S'CC(CCC1(C(C)(O1)C))=CCCC(=CC(=O)OC)C'
p13066
tp13067
sI4356
(S'CCCCCCCCC1(C(CCCCCCCC(=O)[O-])O1)'
p13068
S'CCCCCCCCC(O)C(O)CCCCCCCC([O-])=O'
p13069
tp13070
sI4357
(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'
p13071
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'
p13072
tp13073
sI4358
(S'C(O)C2(CS[CH]1(N(C(=O)C(NC(=O)CCCC([N+])C(=O)[O-])1)C=2C(=O)[O-]))'
p13074
S'CC(=O)OCC1(CS[CH]2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=1)2))'
p13075
tp13076
sI4359
(S'CC1(C(=C(C(=CN=1)CO)C([O-])=O)O)'
p13077
S'CC1(C(=C(C(=CN=1)C=O)C(=O)[O-])O)'
p13078
tp13079
sI4360
(S'C1(=C(CC[N+])C2(C=C(O)C=CC(N1)=2))'
p13080
S'C(C=CC1(=CC=C(C(=C1)O)O))(=O)NCCC3(C2(C=C(O)C=CC=2NC=3))'
p13081
tp13082
sI4361
(S'CN1(C=NC2(NC(=O)NC(=O)C1=2))'
p13083
S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p13084
tp13085
sI4362
(S'C(C=CC([N+]([O-])=O)=CC(=O)C(=O)[O-])(=O)[O-]'
p13086
S'C(=O)([O-])C(=O)C=C1(C=CC(=O)O1)'
p13087
tp13088
sI4363
(S'CC(=O)NC1(C(CC(C(=O)[O-])(O)O[CH]1C(OC(C)=O)C(O)CO)O)'
p13089
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)'
p13090
tp13091
sI4364
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C'
p13092
S'CC(C)=CCCC(C)[CH]1(CC[CH]3(C(C)1CC[CH]2(C4(C)([CH](CC=C23)CC(O)CC4))))'
p13093
tp13094
sI4365
(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))'
p13095
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))'
p13096
tp13097
sI4366
(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'
p13098
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'
p13099
tp13100
sI4367
(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)))))'
p13101
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)))))'
p13102
tp13103
sI4368
(S'CC1(C=C(Cl)C=CC(Cl)=1)'
p13104
S'CC1(C=C(Cl)C(O)C(O)C(Cl)=1)'
p13105
tp13106
sI4369
(S'C(CC[N+])[N+]CCCC=O'
p13107
S'C1(=[N+](CCC[N+])CCC1)'
p13108
tp13109
sI4370
(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))'
p13110
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))'
p13111
tp13112
sI4371
(S'CC1(C=CC=C(C=O)C=1)'
p13113
S'CC1(=CC(=CC=C1)C(=O)[O-])'
p13114
tp13115
sI4372
(S'C1([N+]C(C([O-])=O)CC(O)1)'
p13116
S'C1(N=C(C([O-])=O)CC(O)1)'
p13117
tp13118
sI4373
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p13119
S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p13120
tp13121
sI4374
(S'C3(=C(CC(OCC1(OC(C(O)C(C(O)1)O)O))=O)C2(C(=CC=CC=2)N3))'
p13122
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p13123
tp13124
sI4375
(S'CC(=CCCC(=CCOP([O-])(OP(=O)([O-])[O-])=O)C)C'
p13125
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)C(=O)[O-])O))C)C'
p13126
tp13127
sI4376
(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))))'
p13128
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))))'
p13129
tp13130
sI4377
(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'
p13131
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'
p13132
tp13133
sI4378
(S'C1(C=C(O)C=CC(CC[N+])=1)'
p13134
S'COC1(=C(C=CC(=C1)C=CC(NCCC2(C=CC(=CC=2)O))=O)O)'
p13135
tp13136
sI4379
(S'CC(=O)CC1(=CC2(C=C(OC)C=C(O)C(C(O)=C1C=O)=2))'
p13137
S'CC(=O)CC1(=CC2(C=C(OC)C=C(OC)C(C(O)=C1C=O)=2))'
p13138
tp13139
sI4380
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2(=C(CC1)C3(C)([CH](CC2)C(C)(CO)C(O)CC3)))CC4)))C'
p13140
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'
p13141
tp13142
sI4381
(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'
p13143
S'C(C2(C(CC(N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O'
p13144
tp13145
sI4382
(S'CC12(C(CCC3(OC1=O)([CH]2C(C46(CC(CC[CH]34)C5(OC5)(C6)))C([O-])=O))O)'
p13146
S'CC12(C(CCC3(OC1=O)([CH]2C(C45(CC(CC[CH]34)C(O)(C5)CO))C([O-])=O))O)'
p13147
tp13148
sI4383
(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'
p13149
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'
p13150
tp13151
sI4384
(S'C1(C=C(O)C(O)=CC=1C2(OC3(C(C(=O)C=2[O-])=C(O)C(O)=C(O)C=3)))'
p13152
S'COC3(C(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=CC(O)=3)[O-]))'
p13153
tp13154
sI4385
(S'[CH](=O)C1(OC(CO)=CC=1)'
p13155
S'[CH](=O)C1(OC([CH]=O)=CC=1)'
p13156
tp13157
sI4386
(S'C(C(O)CO)O'
p13158
S'C(C=O)CO'
p13159
tp13160
sI4387
(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)'
p13161
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)'
p13162
tp13163
sI4388
(S'C(C1(OC(C(C1O)O)(O)CO))OP([O-])([O-])=O'
p13164
S'C(OP([O-])(=O)[O-])C1(OC(O)(COP([O-])([O-])=O)C(O)C1O)'
p13165
tp13166
sI4389
(S'C([O-])(=O)C(C(O)C([O-])=O)CC1(=CC=C(C=C1)O)'
p13167
S'C([O-])(=O)C(=O)CCC1(=CC=C(C=C1)O)'
p13168
tp13169
sI4390
(S'CC1(C=CC(=CC=1)C(=O)[O-])'
p13170
S'C(C1(=CC=C(C=C1)C([O-])=O))O'
p13171
tp13172
sI4391
(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-])'
p13173
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-])))'
p13174
tp13175
sI4392
(S'CC1(=C(C=O)C(C)(C)CC(O)C1)'
p13176
S'CC2(=C(C=O)C(C)(C)CC(OC1(C(C(C(C(O1)CO)O)O)O))C2)'
p13177
tp13178
sI4393
(S'CSCCCCCCC(=O)C([O-])=O'
p13179
S'C(=O)([O-])C([N+])CCCCCCSC'
p13180
tp13181
sI4394
(S'C6(OC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C5O6))'
p13182
S'C1(C=C6(OCOC(=CC=1C2(OC[CH]3(C(OC[CH]23)OC4(=CC5(OCOC(C=C4)=5)))))6))'
p13183
tp13184
sI4395
(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'
p13185
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'
p13186
tp13187
sI4396
(S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p13188
S'CCCCCC=CCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C)=O'
p13189
tp13190
sI4397
(S'CC1(CC[CH]2(C(=COC(O)[CH]12)C(=O)[O-]))'
p13191
S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C([O-])=O)3))'
p13192
tp13193
sI4398
(S'C=CC=C(C([O-])=O)O'
p13194
S'C=CCC(=O)C(=O)[O-]'
p13195
tp13196
sI4399
(S'CSCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p13197
S'CSCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p13198
tp13199
sI4400
(S'C1(O)(C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)C(OP([O-])([O-])=O)1)'
p13200
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)'
p13201
tp13202
sI4401
(S'C=C1(C(=O)OCC2(C31(CC(C)(C)CC(C=C(C([O-])=O)2)3)))'
p13203
S'CC3(C)(CC4(C=C(C([O-])=O)[CH]2(C(C1(OC1)C(=O)OC2)(C3)4)))'
p13204
tp13205
sI4402
(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)'
p13206
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)))))'
p13207
tp13208
sI4403
(S'COC1(=CC(C=CC=O)=CC=C(O)1)'
p13209
S'COC1(=CC(C=CC([O-])=O)=CC=C(O)1)'
p13210
tp13211
sI4404
(S'C(O)C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p13212
S'C=C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]'
p13213
tp13214
sI4405
(S'C(O[N+](=O)[O-])C(O[N+]([O-])=O)CO[N+](=O)[O-]'
p13215
S'C(O[N+](=O)[O-])C(O[N+](=O)[O-])CO'
p13216
tp13217
sI4406
(S'CCC(=O)[O-]'
p13218
S'CCC(OP([O-])([O-])=O)=O'
p13219
tp13220
sI4407
(S'CCC=CCC1(C(=O)CCC(CCCCCCCC([O-])=O)1)'
p13221
S'CCC=CCC1(C(=O)C=CC(CCCCCCCC([O-])=O)1)'
p13222
tp13223
sI4408
(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-]'
p13224
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-]'
p13225
tp13226
sI4409
(S'C2(NC1(C=CC=CC=1C=2C3(C(=C(C([O-])=O)NC(C([O-])=O)=3)C4(=CNC5(=C4C=CC=C5)))))'
p13227
S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NCC=2C=34))C6(=C(N5)C=CC=C6)))))'
p13228
tp13229
sI4410
(S'C(O)C(C(O)C(C(O)C(COP(=O)([O-])[O-])O)O)=O'
p13230
S'C(O)C1(O)(CC(=O)C(O)=C(O)C1)'
p13231
tp13232
sI4411
(S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))O)'
p13233
S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](C(O)C3(=CC2(=C(OCO2)C=C34)))5)))O)'
p13234
tp13235
sI4412
(S'C(=O)([O-])C(=O)CC(=O)C1(C=CC=C(O)C(N)=1)'
p13236
S'C1(=CC2(=C(C(O)=C1)N=C(C=C([O-])2)C(=O)[O-]))'
p13237
tp13238
sI4413
(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'
p13239
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'
p13240
tp13241
sI4414
(S'CC(C)=CCC1(C(O)=CC=C(C=1)C(C([O-])=O)O)'
p13242
S'CC(C)=CCC1(C(O)=CC=C(C=1)C([O-])=O)'
p13243
tp13244
sI4415
(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'
p13245
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'
p13246
tp13247
sI4416
(S'C(=O)([O-])C(O)=CC(=CC(Cl)=O)C(=O)[O-]'
p13248
S'C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O)'
p13249
tp13250
sI4417
(S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p13251
S'[CH](=O)C(O)CO'
p13252
tp13253
sI4418
(S'C1(C=C([O-])C=CC=1[N+](=O)[O-])'
p13254
S'C1(=CC(=C(C=C1[N+]([O-])=O)O)O)'
p13255
tp13256
sI4419
(S'CCCCCCCCCCCCCCCCCC(=O)[O-]'
p13257
S'C(O)CCCCCCCCCCCCCCCCC([O-])=O'
p13258
tp13259
sI4420
(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)))'
p13260
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(OC)=C(O)C(OC)=C3)))'
p13261
tp13262
sI4421
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p13263
S'C=C(C(=O)[O-])OC1(C([N+])C=CC(C([O-])=O)=C1)'
p13264
tp13265
sI4422
(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+]'
p13266
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'
p13267
tp13268
sI4423
(S'C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)'
p13269
S'C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O'
p13270
tp13271
sI4424
(S'COC5(=C(OC)C4(=C[N+]3(CCC2(=CC1(=C(OCO1)C=C2C=3C=C4C=C5)))))'
p13272
S'C2(CC1(C=C5(OCOC(=CC=1C3(=CC4(=CC=C(OC)C(OC)=C(CN23)4)))5)))'
p13273
tp13274
sI4425
(S'CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p13275
S'CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C'
p13276
tp13277
sI4426
(S'CSCCCC=NO'
p13278
S'CSCCCC#N=O'
p13279
tp13280
sI4427
(S'C1(=C(Cl)C(Cl)=CC(Cl)=C(Cl)1)'
p13281
S'C1(=C(Cl)C(Cl)(O)C(O)C(Cl)=C(Cl)1)'
p13282
tp13283
sI4428
(S'C([O-])(=O)C1(=C(O)C2(=C(C(O)=C1)C=CC=C2))'
p13284
S'C([O-])(=O)C1(C(=O)C2(=C(C(=O)C=1)C=CC=C2))'
p13285
tp13286
sI4429
(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)'
p13287
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)'
p13288
tp13289
sI4430
(S'C(=O)([O-])C([N+])C=CCP([O-])(=O)O'
p13290
S'C(NC(=[N+])N)CCC([N+])C(NC(C(=O)[O-])C=CCP(=O)([O-])O)=O'
p13291
tp13292
sI4431
(S'C([O-])(=O)C([N+])CC[PH](=O)[O-]'
p13293
S'CC(=O)NC(C([O-])=O)CC[PH](=O)[O-]'
p13294
tp13295
sI4432
(S'CCCCO'
p13296
S'CCC[CH]=O'
p13297
tp13298
sI4433
(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)'
p13299
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)'
p13300
tp13301
sI4434
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p13302
S'C([N+])CC1(=CC=C(C=C1)OC2(C=CC(O)=CC=2))'
p13303
tp13304
sI4435
(S'C(O)C(O)C1(C(=O)C(=O)C(=O)O1)'
p13305
S'C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))'
p13306
tp13307
sI4436
(S'CCCCCCCCCCCCCCC(O)C(C(COP([O-])(=O)[O-])[N+])O'
p13308
S'CCCCCCCCCCCCCCC(O)[CH]=O'
p13309
tp13310
sI4437
(S'C(C1(O)(C(=O)CCC=C1))(OCC2(C=CC=CC=2))=O'
p13311
S'C(C1(O)(C(=O)CCC=C1))(OCC2(C(O)=CC=CC=2))=O'
p13312
tp13313
sI4438
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p13314
S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p13315
tp13316
sI4439
(S'C[Se]CC([N+])C([O-])=O'
p13317
S'C[Se][Se]C'
p13318
tp13319
sI4440
(S'C1(=C(C(=O)NC(O)=C1)[O-])'
p13320
S'C(CC(N)=O)C(=O)C(=O)[O-]'
p13321
tp13322
sI4441
(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))'
p13323
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))'
p13324
tp13325
sI4442
(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))'
p13326
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))'
p13327
tp13328
sI4443
(S'CC24(CCC(=O)C=C(CC[CH]1([CH]3(CCC(C(=O)CO)C(CO)(CC(O)[CH]12)3)))4)'
p13329
S'CC34([CH]2(C(O)CC1(C=O)([CH](CC[CH](C(=O)CO)1)[CH]2CCC3=CC(=O)CC4)))'
p13330
tp13331
sI4444
(S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=CC(O)=C1))C)C'
p13332
S'CC(=CCCC(C)=CCCC(=CCCC(C)=CCC1(=C(O)C(C)=C(C)C(O)=C1))C)C'
p13333
tp13334
sI4445
(S'C1(C=CC(=C(C=1)C2(=CC=CC(=C(O)2)O))O)'
p13335
S'C2(C=C(C1(C=CC=C(O)C=1O))C(O)=C(C=2)O)'
p13336
tp13337
sI4446
(S'CCCCCCCCC(O)C(O)CCCCCCCC([O-])=O'
p13338
S'C(O)CCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]'
p13339
tp13340
sI4447
(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))))'
p13341
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)'
p13342
tp13343
sI4448
(S'COC1(C=C(C=C(C=1)O)OC)'
p13344
S'COC1(C=C(C=C(C=1)OC)OC)'
p13345
tp13346
sI4449
(S'C1(=O)(CC[CH](N(C)1)C2(C=NC=CC=2))'
p13347
S'C1(=O)(C(O)C[CH](N(C)1)C2(C=NC=CC=2))'
p13348
tp13349
sI4450
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p13350
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCC=CCC)=O'
p13351
tp13352
sI4451
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)O)'
p13353
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=CC(OC)=C(N)1)O)'
p13354
tp13355
sI4452
(S'CC1(=CCCC(C)=CCC(C(C(=O)[O-])=C)CC1)'
p13356
S'CC1(=CCCC(C)=CC(O)C(C(C(=O)[O-])=C)CC1)'
p13357
tp13358
sI4453
(S'[CH](=O)NC1(C=CC=CC=1C(=O)C(O)C([N+])C(=O)[O-])'
p13359
S'C([O-])(=O)C([N+])C(O)C(=O)C1(=C(N)C=CC=C1)'
p13360
tp13361
sI4454
(S'CC1(=CC(=O)C([O-])=CC1=O)'
p13362
S'CC1(C=C(O)C(=CC=1O)O)'
p13363
tp13364
sI4455
(S'CC(C2(=C(C(=C(C1(=C(C=C(C=C1O)C)2))C=O)O)OC))C'
p13365
S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p13366
tp13367
sI4456
(S'C(CNC(C=CC1(C=CC(=CC=1)O))=O)CC[N+]=C(N)N'
p13368
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'
p13369
tp13370
sI4457
(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))))))'
p13371
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))))'
p13372
tp13373
sI4458
(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'
p13374
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'
p13375
tp13376
sI4459
(S'CSCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p13377
S'CSCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p13378
tp13379
sI4460
(S'C([O-])(=O)C1(C=CC(=C(C=1C([O-])=O)O)O)'
p13380
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p13381
tp13382
sI4461
(S'C([CH]=O)Cl'
p13383
S'C(C([O-])=O)Cl'
p13384
tp13385
sI4462
(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'
p13386
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'
p13387
tp13388
sI4463
(S'C1(OC(C=C1)(C(Cl)C([O-])=O)Cl)(=O)'
p13389
S'C([O-])(=O)C=CC(=C(Cl)C([O-])=O)Cl'
p13390
tp13391
sI4464
(S'C1(CC(C([O-])=O)N1CC(O)C([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p13392
S'C1(C(O)C(C([O-])=O)N1CC(O)C([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p13393
tp13394
sI4465
(S'C2(NC1(C=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p13395
S'C2(NC1(C(=CC=CC=1)C=2C3(C=C(NC(C([O-])=O)=3)C4(C5(=C(NC=4)C=CC=C5)))))'
p13396
tp13397
sI4466
(S'CCC25(C=CC[N+]4(CCC1(C3(C=CC(OC)=CC(NC1=C(C(=O)OC)C2)=3))[CH]45))'
p13398
S'CCC15(C=CC[N+]4(CCC2(C3(=CC=C(C=C(NC(C(O)(C1)C(=O)OC)2)3)OC))C45))'
p13399
tp13400
sI4467
(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'
p13401
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'
p13402
tp13403
sI4468
(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)'
p13404
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)'
p13405
tp13406
sI4469
(S'CSCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p13407
S'CSCCCCCCC(SCC([N+])C(=O)NCC([O-])=O)=NO'
p13408
tp13409
sI4470
(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))))'
p13410
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'
p13411
tp13412
sI4471
(S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(CO)([CH]2CC3)CCC(=O)C=4)))'
p13413
S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(C=O)([CH]2CC3)CCC(=O)C=4)))'
p13414
tp13415
sI4472
(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'
p13416
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))))'
p13417
tp13418
sI4473
(S'CC=CC1(C=CC(OC)=CC=1)'
p13419
S'CC=CC1(C=C(OC)C=CC(O)=1)'
p13420
tp13421
sI4474
(S'C[N+]CC(O)C1(C=CC(O)=C(OC)C=1)'
p13422
S'COC1(=C(O)C=CC(C(O)C=O)=C1)'
p13423
tp13424
sI4475
(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))))'
p13425
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))))'
p13426
tp13427
sI4476
(S'C1=CC(=C(C=C1CC(C(=O)O)N)O)O'
p13428
S'C1=CC(=CC(=C1)O)CCN'
p13429
tp13430
sI4477
(S'C([O-])(=O)C=CC(=O)NCC([N+])C(N)=O'
p13431
S'CC(C)C(C([O-])=O)NC(C(CNC(=O)C=CC(N)=O)[N+])=O'
p13432
tp13433
sI4478
(S'C1(=C(Cl)C(=O)OC(=CC(=O)[O-])1)'
p13434
S'C([O-])(=O)C(Cl)=CC(=O)CC(=O)[O-]'
p13435
tp13436
sI4479
(S'CC(CO)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p13437
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)))))'
p13438
tp13439
sI4480
(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)'
p13440
S'C=CCC1(C=CC(=C(C=1)OC)O)'
p13441
tp13442
sI4481
(S'C2(C=C1(C(=CNC1=CC=2)CCNO))'
p13443
S'C(=NO)CC2(=CNC1(=C(C=CC=C1)2))'
p13444
tp13445
sI4482
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)O'
p13446
S'C(O)C(=O)C(O)C(O)C(O)C(=O)[O-]'
p13447
tp13448
sI4483
(S'[CH](C(=CC=C(N)C(=O)[O-])Cl)=O'
p13449
S'C([O-])(=O)C(Cl)=CC=C(C([O-])=O)N'
p13450
tp13451
sI4484
(S'C=C1(C2(C(C)(C)C(C1)CC2))'
p13452
S'CC1(C)(C2(CC(C1CC2)=O))'
p13453
tp13454
sI4485
(S'C1(C(=O)C(O)C(O)C(O)C(O)1)'
p13455
S'C1(C([N+])C(O)C(O)C(O)C(O)1)'
p13456
tp13457
sI4486
(S'COC2(=C(O)C(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p13458
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C(O)=C(O)2)O3)))'
p13459
tp13460
sI4487
(S'COC1(=CC(C=CCO)=CC=C(O)1)'
p13461
S'COC2(=CC(C=CCO)=CC=C(OC1(OC(CO)C(O)C(O)C(O)1))2)'
p13462
tp13463
sI4488
(S'C=CCSO'
p13464
S'C=CCSS(CC=C)=O'
p13465
tp13466
sI4489
(S'C(C1(C=CC=CC(C([O-])=O)=1))([O-])=O'
p13467
S'C(=O)([O-])C1(=C(C(=O)[O-])C(O)C(O)C=C1)'
p13468
tp13469
sI4490
(S'CC3(CC4(C2(=CC(=O)C5(C1(CCC(C(C1CCC(C2(CCC(CC3)4C)C)5C)(C)C)O)C))))C'
p13470
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'
p13471
tp13472
sI4491
(S'C(F)[CH]=O'
p13473
S'C(F)C([O-])=O'
p13474
tp13475
sI4492
(S'C1(=CC=C(C([O-])=O)C=N1)'
p13476
S'C(O)C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)[O-])C=2))'
p13477
tp13478
sI4493
(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)))'
p13479
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)))'
p13480
tp13481
sI4494
(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))))))'
p13482
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-]))'
p13483
tp13484
sI4495
(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-]'
p13485
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-]'
p13486
tp13487
sI4496
(S'C(C1(=CNC2(=C1C=CC=C2)))N=C=S'
p13488
S'C(NC(=S)SCC(NC(=O)C([N+])CCC(=O)[O-])C(=O)NCC(=O)[O-])C1(=CNC2(=C1C=CC=C2))'
p13489
tp13490
sI4497
(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))))'
p13491
S'COC1(=CC=C2(C(=C1)O[CH]3([CH]2COC5(=C3C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=C5))))'
p13492
tp13493
sI4498
(S'CC(C)=CCC2(=C(C1(=CC=C(OC)C=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p13494
S'CC(C)=CC1(N4([CH](CC3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p13495
tp13496
sI4499
(S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=C(I)C=2))'
p13497
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p13498
tp13499
sI4500
(S'C2(=C(C1(C=CC=CC=1N2))C(O)CO)'
p13500
S'C2(=C(C(=O)CO)C1(C=CC=CC=1N2))'
p13501
tp13502
sI4501
(S'[Fe++]'
p13503
S'[Fe++]'
p13504
tp13505
sI4502
(S'C(C1(C(C(C(C(OC(CC([O-])=O)C(=O)[O-])O1)[N+])O)O))O'
p13506
S'C(C1(C(C(C(C(OC(CC(=O)[O-])C([O-])=O)O1)NC(=O)C(CS)[N+])O)O))O'
p13507
tp13508
sI4503
(S'CSCCCCCC(S)=NO'
p13509
S'CSCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p13510
tp13511
sI4504
(S'C([N+])CCS(=O)([O-])=O'
p13512
S'C(=O)CCS(=O)([O-])=O'
p13513
tp13514
sI4505
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])SC3(OC(CO)C(O)C(O)C(O)3))'
p13515
S'CON1(C3(C=CC=CC(C(=C1)CC(=NOS(=O)(=O)[O-])SC2(OC(CO)C(O)C(O)C(O)2))=3))'
p13516
tp13517
sI4506
(S'COC1(C=C(CC(=O)C(=O)[O-])C=CC(O)=1)'
p13518
S'COC1(C=C(CC(O)C(=O)[O-])C=CC(O)=1)'
p13519
tp13520
sI4507
(S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)'
p13521
S'C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC(C([O-])=O)=C(N)1))O2)'
p13522
tp13523
sI4508
(S'C(O)(O)C1(OC=CC=1)'
p13524
S'C(C1(OC=CC=1))([O-])=O'
p13525
tp13526
sI4509
(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))'
p13527
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))'
p13528
tp13529
sI4510
(S'[As](O)([O-])O'
p13530
S'[As](O)([O-])O'
p13531
tp13532
sI4511
(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)))'
p13533
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)))'
p13534
tp13535
sI4512
(S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CCC3)))'
p13536
S'C=CC1(C(C)[CH]2([CH](CC=1)C3(C)(C(CC2)C(C)(C)CC(O)C3)))'
p13537
tp13538
sI4513
(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)))'
p13539
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)))'
p13540
tp13541
sI4514
(S'C(=O)C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p13542
S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p13543
tp13544
sI4515
(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))))'
p13545
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))))'
p13546
tp13547
sI4516
(S'CC2(C(=O)C(O)C1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p13548
S'CC2(C(=O)C(O)C1(CO)(C4(CC(O)C(OC1C=2)C3(OC3)4)(C)))'
p13549
tp13550
sI4517
(S'C(C(CC1(=CC(I)=C(C(=C1)I)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p13551
S'C(C(CC1(=CC(I)=C(C=C1)OC2(=CC=C(C=C2)O)))[N+])([O-])=O'
p13552
tp13553
sI4518
(S'COC2(C=CC1(=C(C(CC=O)=CN1)C=2))'
p13554
S'COC2(C=CC1(=C(C(CCO)=CN1)C=2))'
p13555
tp13556
sI4519
(S'C=C[CH]1(CN2(CCC3(C4(C=CC=CC(NC([CH](C[CH]1C[CH]=O)2)=3)=4))))'
p13557
S'C=CC1(C2(CC(N(C1)CC2)C(C3(C4(=C(N=CC=3)C=CC(=C4)OC)))=O))'
p13558
tp13559
sI4520
(S'CC=CC(=O)[O-]'
p13560
S'CC([O-])=O'
p13561
tp13562
sI4521
(S'CN2(C=NC1(=C(C(N(C(N1)=O)C)=O)2))'
p13563
S'CN1(C(=O)NC2(=C1C(=O)N(C)C(=O)N2))'
p13564
tp13565
sI4522
(S'CC(=O)CC1(C(=O)C2(C(O)=C(OC)C=C(OC)C(C(=O)C=1CO)=2))'
p13566
S'CC(O)C1(=C3(C(=CO1)C(=O)C2(=C(C(O)=C(OC)C=C(OC)2)C(=O)3)))'
p13567
tp13568
sI4523
(S'C1(O)(=NC(=O)C(O)=CC(=O)1)'
p13569
S'C(=O)([O-])C(=O)CC(=O)C(=O)N'
p13570
tp13571
sI4524
(S'CC1(C=C(O)C=C(C=1)C([O-])=O)'
p13572
S'CC1(=CC(O)=CC(C(=O)[O-])=C(O)1)'
p13573
tp13574
sI4525
(S'C1(=CC(Cl)=CC(=C1)O)'
p13575
S'C1(C=C(C(=C(C=1)Cl)O)O)'
p13576
tp13577
sI4526
(S'COC3(C(=O)C1(C(=CC([O-])=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3))'
p13578
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C(OC)=2)=C(O)C=C(O)C=3)))'
p13579
tp13580
sI4527
(S'C1(C=CC(=C(C=1)O)O)'
p13581
S'[CH]([CH]=CC([O-])=O)=[CH]C([O-])=O'
p13582
tp13583
sI4528
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]'
p13584
S'CC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(O)C=CC(C(=O)[O-])=C1))C)C)C)C)C'
p13585
tp13586
sI4529
(S'C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))'
p13587
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))))'
p13588
tp13589
sI4530
(S'C(O)C2(C(C(C([N+])C(OC1(C(O)C(O)C(O)C(O)C(O)1))O2)O)O)'
p13590
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)'
p13591
tp13592
sI4531
(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)'
p13593
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))))'
p13594
tp13595
sI4532
(S'C=C(C2(CC1(C(CC(C=C1C)=O)C)CC2))C'
p13596
S'C=C(C2(CC1(C(CC(C=C1CO)=O)C)CC2))C'
p13597
tp13598
sI4533
(S'C1(=CC(Cl)=CC(=C1)O)'
p13599
S'C1(C=C(C(=CC=1Cl)O)O)'
p13600
tp13601
sI4534
(S'CC2(C1(C=CCCC(C)1CCC2))'
p13602
S'CC2(C1(O)(CCCCC(C)1CCC2))'
p13603
tp13604
sI4535
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p13605
S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C(O)1)2)C=CC=C3NC=4))))'
p13606
tp13607
sI4536
(S'CC1(C)(C2(CCC(C)1C(O)C2))'
p13608
S'CC1(C)([CH]2(CCC1(C)C(=O)C2))'
p13609
tp13610
sI4537
(S'CC(C([O-])=O)=C1(OC(=O)C(Cl)=C1)'
p13611
S'CC(C([O-])=O)C(C=C(Cl)C(=O)[O-])=O'
p13612
tp13613
sI4538
(S'COC2(C=CC1(=C(C(CCN)=CN1)C=2))'
p13614
S'COC2(C=CC1(=C(C(CC=O)=CN1)C=2))'
p13615
tp13616
sI4539
(S'C(=O)CCCCCCCC=CCCCCCCCC(=O)[O-]'
p13617
S'C(=O)([O-])CCCCCCCC=CCCCCCCCC(=O)[O-]'
p13618
tp13619
sI4540
(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'
p13620
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'
p13621
tp13622
sI4541
(S'C1(NC3(N=C(N)NC(=O)C(N=C1C(O)C2(OP([O-])(=O)OC2))=3))'
p13623
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)COP(=O)([O-])[O-])=2))'
p13624
tp13625
sI4542
(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'
p13626
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)'
p13627
tp13628
sI4543
(S'C1=CC=C(C(=C1)CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)NC3=C(C=CC=C3Cl)Cl'
p13629
S'C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl'
p13630
tp13631
sI4544
(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)'
p13632
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)'
p13633
tp13634
sI4545
(S'CC(CO)=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP([O-])([O-])=O)O)O))C=NC=23))'
p13635
S'CC(CO)=CCNC3(=NC=NC2(N(C1(C(C(C(O1)CO)O)O))C=NC=23))'
p13636
tp13637
sI4546
(S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C(O)=C1C=2))C(=O)C=3))'
p13638
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))'
p13639
tp13640
sI4547
(S'C=CCC1(C=CC(=C(C=1)OC)O)'
p13641
S'C=CCC1(C=CC(=C(C=1)OC)OC)'
p13642
tp13643
sI4548
(S'C(=O)([O-])C1(O)(C=CC2(C(O1)=CC=CC=2))'
p13644
S'C1(C=CC(O)=C(C=CC(=O)C(=O)[O-])C=1)'
p13645
tp13646
sI4549
(S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p13647
S'C(#N)C(SCC(NC(=O)CCC([N+])C([O-])=O)C(NCC([O-])=O)=O)C2(=CNC1(=CC=CC=C12))'
p13648
tp13649
sI4550
(S'C(=O)([O-])C(=O)CC1(C2(OC(C(O)CC1)2))'
p13650
S'C(=O)([O-])C(=O)C=C1(C2(OC(C(O)CC1)2))'
p13651
tp13652
sI4551
(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'
p13653
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)'
p13654
tp13655
sI4552
(S'C2(C=CC1(NC(O)C(O)C=1C=2))'
p13656
S'C2(C=CC1(=C(C(O)=CN1)C=2))'
p13657
tp13658
sI4553
(S'[CH](C(=O)[O-])=O'
p13659
S'C(=O)([O-])CC(O)C([O-])=O'
p13660
tp13661
sI4554
(S'C1(=C(NC=N1)CC[N+])'
p13662
S'CN1(C=C(N=C1)CC[N+])'
p13663
tp13664
sI4555
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p13665
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p13666
tp13667
sI4556
(S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(O)=CC(OC)=C1)'
p13668
S'C=CCC=CCC=CCCCCCCCC1(=C(O)C(OC)=CC(OC)=C1)'
p13669
tp13670
sI4557
(S'CC1(=CC2(=C(NC1=O)C=CC=C2))'
p13671
S'CC2(=CC1(=C(C=CC(C1O)O)NC2=O))'
p13672
tp13673
sI4558
(S'CC2(C(O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p13674
S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p13675
tp13676
sI4559
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C'
p13677
S'CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C'
p13678
tp13679
sI4560
(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)))'
p13680
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))'
p13681
tp13682
sI4561
(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)))'
p13683
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)))'
p13684
tp13685
sI4562
(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-]'
p13686
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-]'
p13687
tp13688
sI4563
(S'CCCCCCCCC=CCCCCCCCC(=O)OCC(COP([O-])([O-])=O)O'
p13689
S'CCCCCCCCC=CCCCCCCCC(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP([O-])(=O)[O-])=O'
p13690
tp13691
sI4564
(S'CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p13692
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O'
p13693
tp13694
sI4565
(S'CC(=C(C)NC(C)=O)NC(C)=O'
p13695
S'CC(C(C)=O)NC(C)=O'
p13696
tp13697
sI4566
(S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p13698
S'CC34(CC[CH]2([CH](CCC1(=CC(=O)CCC(CO)12))[CH](CCC(=O)3)4))'
p13699
tp13700
sI4567
(S'CC1(C([N+](=O)[O-])=CC([N+](=O)[O-])=CC([N+]([O-])=O)=1)'
p13701
S'CC1(C([N+](=O)[O-])=CC(N=O)=CC([N+]([O-])=O)=1)'
p13702
tp13703
sI4568
(S'C(=O)([O-])C=CC1(=CC=CC=C1)'
p13704
S'C(C1(C=CC=CC=1))([O-])=O'
p13705
tp13706
sI4569
(S'CC(=CC([O-])=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)O'
p13707
S'CC(C=CC1(C(CC(C=C1C)=O)(C)C)O)=CC(=O)OC2(C(O)C(O)C(O)C(CO)O2)'
p13708
tp13709
sI4570
(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))))'
p13710
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))))'
p13711
tp13712
sI4571
(S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))'
p13713
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))))'
p13714
tp13715
sI4572
(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)))))'
p13716
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))'
p13717
tp13718
sI4573
(S'C(O)C(O)C1(C(=O)C(=O)C(=O)O1)'
p13719
S'C(O)C1(OC(=O)C(=O)OC(C(=O)[O-])1)'
p13720
tp13721
sI4574
(S'CC2(CC[CH]1([CH]([CH](C(C([O-])=O)=C)CCC(C)1)C=2))'
p13722
S'CC1(CC[CH]3(C(C)C(O[CH]4(OC2(CC[CH]1C(OO2)34)(C)))=O))'
p13723
tp13724
sI4575
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p13725
S'C(C1(C(=CC(O)=CC(O)=1)OC(C2(C=CC(=C(C=2)O)O))=O))([O-])=O'
p13726
tp13727
sI4576
(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'
p13728
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'
p13729
tp13730
sI4577
(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))'
p13731
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))'
p13732
tp13733
sI4578
(S'C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCC[N+])CC[N+]'
p13734
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+]'
p13735
tp13736
sI4579
(S'CC1(=C(C2(=C(C=N1)COC2=O))O)'
p13737
S'CC1(C(=C(C(=CN=1)CO)C([O-])=O)O)'
p13738
tp13739
sI4580
(S'CC(CO)=CCNC3(=NC=NC2(N(C1(C(C(C(O1)CO)O)O))C=NC=23))'
p13740
S'CC(CO)=CCNC2(C1(=C(NC=N1)N=CN=2))'
p13741
tp13742
sI4581
(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)'
p13743
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)'
p13744
tp13745
sI4582
(S'CSCCCCC(=O)C([O-])=O'
p13746
S'CSCCCCC(O)(CC(=O)[O-])C(=O)[O-]'
p13747
tp13748
sI4583
(S'C1(O)(C(OP([O-])([O-])=O)C(O)C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(O)1)'
p13749
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)'
p13750
tp13751
sI4584
(S'CC2(C(O)CC1(COC(=O)C)(C4(C(OC(C)=O)C(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p13752
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)))'
p13753
tp13754
sI4585
(S'C=C(C1(CC2(C(C(CCC(=CC1)2)O)C)C))C'
p13755
S'C=C(C1(CC2(C(C(CC(C(=CC1)2)O)O)C)C))C'
p13756
tp13757
sI4586
(S'N(=O)(=O)[O-]'
p13758
S'N(=O)(=O)[O-]'
p13759
tp13760
sI4587
(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))'
p13761
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)))))'
p13762
tp13763
sI4588
(S'COC2(=CC(O)=C3(C(=O)C=C(C1(C=CC(O)=CC=1))OC(=C2)3))'
p13764
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C=C(O)2)O3)))'
p13765
tp13766
sI4589
(S'C(C3(C(CC(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O))OP(OP([O-])([O-])=O)([O-])=O'
p13767
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'
p13768
tp13769
sI4590
(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'
p13770
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'
p13771
tp13772
sI4591
(S'C(CCC[N+])NC(=[N+])N'
p13773
S'C(CNC(C=CC1(C=CC(=CC=1)O))=O)CC[N+]=C(N)N'
p13774
tp13775
sI4592
(S'CCCCCC2(=CC3(OC(C1(CCC(=CC1C(C(=C2C([O-])=O)O)=3)C))(C)C))'
p13776
S'CCCCCC2(=CC3(OC(C1(CCC(=CC1C(C(=C2)O)=3)C))(C)C))'
p13777
tp13778
sI4593
(S'C1(=C(Cl)C(C=C(Cl)C(O)1)O)'
p13779
S'C1(=C(C(O)=CC(Cl)=C1O)Cl)'
p13780
tp13781
sI4594
(S'C1(CCCCC(=O)NCCCCCC(=O)N1)'
p13782
S'C(CCCCC(=O)[O-])NC(=O)CCCCC[N+]'
p13783
tp13784
sI4595
(S'C[Se]CCC(C([O-])=O)[N+]'
p13785
S'C[Se+](C)CCC([N+])C(=O)[O-]'
p13786
tp13787
sI4596
(S'C1(C=CC2(OC(C(NC(C=1)=2)=O)O))'
p13788
S'C1(C=CC2(OC(C(N(C(C=1)=2)[O-])=O)O))'
p13789
tp13790
sI4597
(S'CC(=O)NCCC([N+])C(=O)[O-]'
p13791
S'CC1(NCCC(C([O-])=O)[N+]=1)'
p13792
tp13793
sI4598
(S'CC(O)CSCCS(=O)(=O)[O-]'
p13794
S'CC1(OC1)'
p13795
tp13796
sI4599
(S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p13797
S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p13798
tp13799
sI4600
(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))))'
p13800
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)))'
p13801
tp13802
sI4601
(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)))'
p13803
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)'
p13804
tp13805
sI4602
(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)'
p13806
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)'
p13807
tp13808
sI4603
(S'C1(=C(CO)C(N)=NC(=O)N1)'
p13809
S'C1(N=C(N=C(N)C=1CO)OC)'
p13810
tp13811
sI4604
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p13812
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)))'
p13813
tp13814
sI4605
(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))))'
p13815
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))))'
p13816
tp13817
sI4606
(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'
p13818
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'
p13819
tp13820
sI4607
(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'
p13821
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'
p13822
tp13823
sI4608
(S'C([O-])(=O)CC1(=C(O)NC2(C=CC=CC1=2))'
p13824
S'C([O-])(=O)CC1(O)(C(=O)NC2(C=CC=CC1=2))'
p13825
tp13826
sI4609
(S'C(=O)([O-])C(=O)CC1(C(=O)[O-])(C=CC(O)C=C1)'
p13827
S'C([O-])(=O)C(=O)CC1(C(=O)[O-])(CCC(O)C=C1)'
p13828
tp13829
sI4610
(S'C(C([N+])P(=O)([O-])[O-])OP([O-])(=O)[O-]'
p13830
S'CC(C)CC([N+])C(=O)NC(=C)P(=O)([O-])O'
p13831
tp13832
sI4611
(S'CC(C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC=2C=3)C)))C'
p13833
S'CC(C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC=2C=3)C)))C'
p13834
tp13835
sI4612
(S'C=CC(CC)=O'
p13836
S'CCC(CC)=O'
p13837
tp13838
sI4613
(S'C1CSC2=NC(CN21)C3=CC=CC=C3'
p13839
S'C1C(N(C(=O)N1CCS)O)C2=CC=CC=C2'
p13840
tp13841
sI4614
(S'C(=O)([O-])C3(C2(=C(NC1(C=CC=CC=1N2))C=CC=3))'
p13842
S'C(C1(=CC=CC2(C1=NC3(C=CC=CC(N=2)=3))))(=O)[O-]'
p13843
tp13844
sI4615
(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)))))'
p13845
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)))))'
p13846
tp13847
sI4616
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O)C(O)C=1)'
p13848
S'C(O)C1(C(O)C(O)C(O)C(OP([O-])([O-])=O)C=1)'
p13849
tp13850
sI4617
(S'COC1(C4(=C(C2([CH]3(CCO[CH](OC(C=1)=2)3)))OC5(C=CC=C(C(C4=O)=5)O)))'
p13851
S'COC2(C3(C(C1(C(OC)=CC4(O[CH]5(OCC[CH](C(C=1OC(C=CC=2)=3)=4)5))))=O))'
p13852
tp13853
sI4618
(S'CC1(CC[CH]3([CH]1C(OC2(OC(CO)C(O)C(O)C(O)2))OC=C(C(OC)=O)3))'
p13854
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))'
p13855
tp13856
sI4619
(S'C(C([O-])=O)(Cl)Cl'
p13857
S'C([O-])(C(=O)[O-])=O'
p13858
tp13859
sI4620
(S'C1(=CC=C2(C(=C1)C(=CN2)C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O)))'
p13860
S'CC(C)=CCC2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p13861
tp13862
sI4621
(S'CC(C=O)C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))[N+]C)'
p13863
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C1)2)C=CC=C3NC=4))))'
p13864
tp13865
sI4622
(S'CC(C3(=CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p13866
S'CC(C3(=CCC2(C1(C(C(CCC1)(C(=O)[O-])C)CCC2=C3)C)))C'
p13867
tp13868
sI4623
(S'C1(C=C(O)C(I)=CC=1OC2(=C(I)C=C(C=C(I)2)CC([N+])C(=O)[O-]))'
p13869
S'C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)'
p13870
tp13871
sI4624
(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)'
p13872
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))'
p13873
tp13874
sI4625
(S'COC1(=C(C(OC)=CC(=C1)C4([CH]5(C(=O)OC[CH](CC3(=CC2(=C(OCO2)C=C34)))5)))OC)'
p13875
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)))'
p13876
tp13877
sI4626
(S'C1(=CC=C3(C(=C1)CC2(C(=CC=CC=2)3)))'
p13878
S'C3(C=C1(C(C(O)C2(=CC=CC=C12))=CC=3))'
p13879
tp13880
sI4627
(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)'
p13881
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)'
p13882
tp13883
sI4628
(S'C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]'
p13884
S'C(CC(=O)C(=O)[O-])CC(=O)[O-]'
p13885
tp13886
sI4629
(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)'
p13887
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)'
p13888
tp13889
sI4630
(S'C[N+]4(CC(C(=O)[O-])=C[CH]1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p13890
S'C[N+]4(CC(C(=O)[O-])C=C1([CH](CC3(C2(=C1C=CC=C2NC=3)))4))'
p13891
tp13892
sI4631
(S'CCCCCCCCCCCCCCCCCCCCCC([O-])=O'
p13893
S'CCCCCCCCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O'
p13894
tp13895
sI4632
(S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p13896
S'C(OP([O-])([O-])=O)C(O)C(O)C(=O)COP(=O)([O-])[O-]'
p13897
tp13898
sI4633
(S'CN1(CC(=O)NC(=N)1)'
p13899
S'C(C(=O)[O-])N(C)C(N)=[N+]'
p13900
tp13901
sI4634
(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)))))))'
p13902
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))))'
p13903
tp13904
sI4635
(S'C=C(C(=O)[O-])OC1(CC(C(=O)[O-])=CC(OP(=O)([O-])[O-])C(O)1)'
p13905
S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p13906
tp13907
sI4636
(S'CC(C([O-])=O)=CC([O-])=O'
p13908
S'C(C([O-])=O)CC([O-])=O'
p13909
tp13910
sI4637
(S'C([O-])(=O)C1(=C(O)C2(=C(C(O)=C1)C=CC=C2))'
p13911
S'C1(=CC=C2(C(C([O-])=CC(C(=C1)2)=O)=O))'
p13912
tp13913
sI4638
(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'
p13914
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'
p13915
tp13916
sI4639
(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'
p13917
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'
p13918
tp13919
sI4640
(S'CC(C)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p13920
S'CC4(C)(OC3(C=CC5(C(=O)[CH]1([CH](COC2(C1=CC(OC)=C(OC)C=2))OC(C=3C=C4)=5))))'
p13921
tp13922
sI4641
(S'C([O-])(=O)C1(OC([CH]=O)=CC=1)'
p13923
S'C([O-])(=O)C1(OC(C(O)O)=CC=1)'
p13924
tp13925
sI4642
(S'C=CC'
p13926
S'CC1(OC1)'
p13927
tp13928
sI4643
(S'[O-][Se](=O)[O-]'
p13929
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)))'
p13930
tp13931
sI4644
(S'C1(=C(CC(N)=O)C2(=CC=CC=C(N1)2))'
p13932
S'C2(NC1(C=CC=CC=1C(CC#N)=2))'
p13933
tp13934
sI4645
(S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O'
p13935
S'C(=O)([O-])C([N+])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p13936
tp13937
sI4646
(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))))'
p13938
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))))'
p13939
tp13940
sI4647
(S'CC1(C(=C(C=CC=1[N+](=O)[O-])O)O)'
p13941
S'CC(=O)C([N+]([O-])=O)=CC=C(O)C([O-])=O'
p13942
tp13943
sI4648
(S'C1(C=CC(=C(C=1)O)O)'
p13944
S'C1(=CC(C(C=C1)=O)=O)'
p13945
tp13946
sI4649
(S'CC1(=NC=C(CO)C(C[N+])=C(O)1)'
p13947
S'CC1(C(=C(C(COP([O-])([O-])=O)=CN=1)C[N+])O)'
p13948
tp13949
sI4650
(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)'
p13950
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)'
p13951
tp13952
sI4651
(S'C(C[N+])C([O-])=O'
p13953
S'C(CC(=O)NC(CC1(=CNC=N1))C([O-])=O)[N+]'
p13954
tp13955
sI4652
(S'CC1(C=CC(C=O)=CC=1)'
p13956
S'CC1(C=CC(=CC=1)C(=O)[O-])'
p13957
tp13958
sI4653
(S'C4(CCCC3(C1(CC(C2(CCCCN(C1=O)2))C[N+]34)))'
p13959
S'C4(CCCC3(C1(CC(C2(CCCC(N(C1)2)=O))C[N+]34)))'
p13960
tp13961
sI4654
(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'
p13962
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)'
p13963
tp13964
sI4655
(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'
p13965
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'
p13966
tp13967
sI4656
(S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p13968
S'CC(=O)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p13969
tp13970
sI4657
(S'CC1(C=CC(=CC=1)O)'
p13971
S'C(C1(C=CC(O)=CC=1))O'
p13972
tp13973
sI4658
(S'CC(C)=CCCC(C)=CCCC(C)=C[CH]=O'
p13974
S'CC(C)=CCCC(=CCCC(C)=CC(=O)[O-])C'
p13975
tp13976
sI4659
(S'C1(=CC(O)=NC(O)=C1)'
p13977
S'C1(C(=C(O)N=C(O)C=1)O)'
p13978
tp13979
sI4660
(S'C1(C(=O)NC(=O)NC(C(=O)[O-])1)'
p13980
S'C(=O)([O-])CC(NC(N)=O)C([O-])=O'
p13981
tp13982
sI4661
(S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)O)'
p13983
S'CC2(=C(C(=O)C1(C(O)=CC(OC)=CC(O)=1))C(=CC(O)=C2)OC)'
p13984
tp13985
sI4662
(S'CC1(=C(C=CC(=C1)Cl)OCC(=O)[O-])'
p13986
S'CC1(=CC(Cl)=CC=C(O)1)'
p13987
tp13988
sI4663
(S'C(CCO)CCC(=O)[O-]'
p13989
S'C(CC=O)CCC(=O)[O-]'
p13990
tp13991
sI4664
(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'
p13992
S'CC(=CCNC3(=NC=NC2(N(C1(C(C(C(O1)COP(OP(=O)([O-])[O-])([O-])=O)O)O))C=NC=23)))CO'
p13993
tp13994
sI4665
(S'C(O)C=C1(C(CO)=CC(=O)O1)'
p13995
S'C1(OC(O)C2(=CC(=O)OC(=C1)2))'
p13996
tp13997
sI4666
(S'CC13(C(O)CC[CH]1[CH]2(CCC4(C(C=O)([CH]2CC3)CCC(=O)C=4)))'
p13998
S'CC12([CH](CCC(O)1)[CH]4([CH](CC2)C3(C(=CC(O)=CC=3)CC4)))'
p13999
tp14000
sI4667
(S'COC5(=C1(C(OC4(C(C1=O)=C(C=C2(C([CH]3([CH](O2)OC=C3))=4))OC))=CC=C5))'
p14001
S'CC12(C3(=C5(C(=C(OC)C=C(OC(C)(OC=C1)2)3)C4(=C(C(=O)OCC4)C(O5)=O))))'
p14002
tp14003
sI4668
(S'C(C1(C(=CC=CC=1)NO))(=O)[O-]'
p14004
S'C(C1(C(=CC=CC=1)N))(=O)[O-]'
p14005
tp14006
sI4669
(S'C1(=O)(OC(=O)C2(C([O-])=CC(=O)C(O)=CC1=2))'
p14007
S'C(=O)(C1(=CC(=CC(=O)C([O-])=C1)O))[O-]'
p14008
tp14009
sI4670
(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)'
p14010
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)'
p14011
tp14012
sI4671
(S'COC1(C(O)=CC=C(C=1)CC3(C(CC2(C=C(OC)C(O)=CC=2))C(=O)OC3))'
p14013
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC(O)=C(C(=C2)OC)O))C(OC3)=O))'
p14014
tp14015
sI4672
(S'C1(OC4(C=C(O)C=CC(C2(=C1C3(C(O2)=CC(O)=CC=3)))=4))'
p14016
S'C1(OC4(C=C(O)C=CC(C2(=C1C3(C(O2)=CC(O)=CC=3)))=4))(=O)'
p14017
tp14018
sI4673
(S'C[N+]CC(O)C1(C=CC(O)=CC=1)'
p14019
S'[CH](=O)CC1(C=CC(O)=CC=1)'
p14020
tp14021
sI4674
(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)'
p14022
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))'
p14023
tp14024
sI4675
(S'CSCCC(C([O-])=O)O'
p14025
S'C[S+](C)CCC(C([O-])=O)O'
p14026
tp14027
sI4676
(S'C1(CCC(CC1)=O)'
p14028
S'C1(OCCCCC1)=O'
p14029
tp14030
sI4677
(S'C=C[CH]O'
p14031
S'C=C[CH]=O'
p14032
tp14033
sI4678
(S'CC([N+])C(=O)NC(C)C([O-])=O'
p14034
S'CC([N+])C([O-])=O'
p14035
tp14036
sI4679
(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))))'
p14037
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))))'
p14038
tp14039
sI4680
(S'CC=CC1(C=CC(O)=CC=1)'
p14040
S'CC(=O)OCC=CC1(=CC=C(O)C=C1)'
p14041
tp14042
sI4681
(S'C(S([O-])(=O)=O)(=O)C=CC=C(O)C(=O)[O-]'
p14043
S'C([O-])(=O)C=CC=C(O)C(=O)[O-]'
p14044
tp14045
sI4682
(S'C(O)C1(O)(C(O)C(O)C(O)C(=O)C1)'
p14046
S'C(O)C1(C(O)C(O)C(O)C(=O)C=1)'
p14047
tp14048
sI4683
(S'C([O-])(=O)C(Cl)=CC=C(C(=O)[O-])Cl'
p14049
S'C1(=C(Cl)C(=O)OC(=CC(=O)[O-])1)'
p14050
tp14051
sI4684
(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+]'
p14052
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)'
p14053
tp14054
sI4685
(S'C=C(C)C'
p14055
S'CC1(C)(OC1)'
p14056
tp14057
sI4686
(S'C([N+])CCCCN(O)C(CCC([O-])=O)=O'
p14058
S'C(N(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC([O-])=O)CCCC[N+]'
p14059
tp14060
sI4687
(S'CCC(C)C=C(C)C=CC=CC(=O)C2(C(=O)NC(CC1(C=CC(O)=CC=1))C([O-])=2)'
p14061
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))'
p14062
tp14063
sI4688
(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))'
p14064
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)))'
p14065
tp14066
sI4689
(S'[CH](=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p14067
S'C([O-])(=O)C=CC1(=CC(=O)OC(C([O-])=O)=C1)'
p14068
tp14069
sI4690
(S'C2(N(C1(C(O)C(O)C(O1)COP([O-])([O-])=O))C(=O)N=C(N)C(CO)=2)'
p14070
S'C1(=C(CO)C(N)=NC(=O)N1)'
p14071
tp14072
sI4691
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p14073
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(CO)C(O)C(O)C(O)1))OC(=O)CCCCCCCC=CCC=CCCCCC)=O'
p14074
tp14075
sI4692
(S'C(C1(C(=CC=CC=1)[N+](=O)[O-]))(=O)[O-]'
p14076
S'C(C1(C(=CC=CC=1)NO))(=O)[O-]'
p14077
tp14078
sI4693
(S'COC1(=CC(C=CCO)=CC=C(O)1)'
p14079
S'COC1(=CC(=CCCO)C=CC(=O)1)'
p14080
tp14081
sI4694
(S'CCC=CCC(O)C=CC=CCC=CC=CC(OO)CC=CCCC(=O)[O-]'
p14082
S'CCC=CCC(O)C=CC=CC=CC=CC1(OC(CC=CCCC(=O)[O-])1)'
p14083
tp14084
sI4695
(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)))))'
p14085
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)))))'
p14086
tp14087
sI4696
(S'C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))'
p14088
S'C(C(C(C(C(C([O-])=O)=O)=O)O)O)O'
p14089
tp14090
sI4697
(S'CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p14091
S'C=CCCC(=NOS(=O)(=O)[O-])SC1(OC(CO)C(O)C(O)C(O)1)'
p14092
tp14093
sI4698
(S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC(=C(C(I)=C2)O)I)))[N+])([O-])=O'
p14094
S'C(C(CC1(=CC=C(C(=C1)I)OC2(=CC=C(C(I)=C2)O)))[N+])([O-])=O'
p14095
tp14096
sI4699
(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'
p14097
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'
p14098
tp14099
sI4700
(S'C(O)C(C(O)C(O)C(C([O-])=O)O)O'
p14100
S'C(=O)([O-])C(=O)CC(O)C(O)CO'
p14101
tp14102
sI4701
(S'C=C(C(=O)[O-])OC1(C(O)C=CC(C([O-])=O)=C1)'
p14103
S'C=C(C(=O)[O-])OC1(=CC=CC(C([O-])=O)=C1)'
p14104
tp14105
sI4702
(S'C[N+]3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))CC4(C=CC(=C(C(C=O)=4)OC)OC))'
p14106
S'CN3([CH](C1(C(=CC2(OCOC(C=1)=2))CC3))C(O)C4(C=CC(=C(C(C=O)=4)OC)OC))'
p14107
tp14108
sI4703
(S'COC1(C=C(C=C(C=1)C=CC2(C=CC(=CC=2)O))O)'
p14109
S'COC1(C=C(C=C(C=1)C=CC2(C=CC(=CC=2)O))OC)'
p14110
tp14111
sI4704
(S'COC1(C=CC(=CC=1)C2(OC3(C(O)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p14112
S'COC1(C=CC(=CC=1)C2(OC3(C(OC)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p14113
tp14114
sI4705
(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))))'
p14115
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))))'
p14116
tp14117
sI4706
(S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p14118
S'CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p14119
tp14120
sI4707
(S'CC1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p14121
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p14122
tp14123
sI4708
(S'C(OP([O-])([O-])=O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p14124
S'C(O)C(O)C(O)C1(C(O)C(O)C(O)C(OP([O-])(=O)[O-])O1)'
p14125
tp14126
sI4709
(S'C2(=C(C1(C=CC=CC=1N2))C(O)C(=O)[O-])'
p14127
S'C2(=C(C(=O)C(=O)[O-])C1(C=CC=CC=1N2))'
p14128
tp14129
sI4710
(S'C1(OC(C=C1)(C(Cl)C([O-])=O)Cl)(=O)'
p14130
S'C1(=CC(=O)OC(=C(Cl)C(=O)[O-])1)'
p14131
tp14132
sI4711
(S'C([N+])CC[N+]CCCC[N+]'
p14133
S'C([N+])CCC[N+]'
p14134
tp14135
sI4712
(S'C(C(C(C(C(C([O-])=O)O)O)O)O)O'
p14136
S'[CH](=O)C(O)C(O)C(O)C(O)C(=O)[O-]'
p14137
tp14138
sI4713
(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'
p14139
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'
p14140
tp14141
sI4714
(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)'
p14142
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)'
p14143
tp14144
sI4715
(S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)O)C))C'
p14145
S'C=CC2(CCC3(C1(CCC(C4(C1C(C=C(C2)3)OC4=O)C)=O)C))C'
p14146
tp14147
sI4716
(S'C(=O)([O-])C([N+])CCC1(C=CC=CC=1)'
p14148
S'C(=O)([O-])C(=O)CCC1(C=CC=CC=1)'
p14149
tp14150
sI4717
(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))'
p14151
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))'
p14152
tp14153
sI4718
(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))'
p14154
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)))))'
p14155
tp14156
sI4719
(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)'
p14157
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))'
p14158
tp14159
sI4720
(S'COC3(=CC=C(C1(C(O)OC2(C(C(=O)1)=C(O)C=C([O-])C=2)))C=C3)'
p14160
S'COC1(C=CC(=CC=1)C2(=COC3(C(C(=O)2)=C(C=C(C=3)[O-])O)))'
p14161
tp14162
sI4721
(S'CC12(OC(=O)C(Cl)C(OC(=O)C(Cl)1)2)'
p14163
S'CC1(=C(Cl)C(=O)OC(C(Cl)C([O-])=O)1)'
p14164
tp14165
sI4722
(S'CCCCCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p14166
S'CC(O)CCCC(O)C(O)CC=CCCCCCCCC(=O)[O-]'
p14167
tp14168
sI4723
(S'COC1(C=CC(=CC=1)C2(OC3(C(O)=C(OC)C(OC)=C(O)C(C(=O)C=2)=3)))'
p14169
S'COC1(C=CC(=CC=1)C2(=CC(=O)C3(C(O)=C(C(O)=C(O)C(O2)=3)OC)))'
p14170
tp14171
sI4724
(S'C2(C=CC(C=CC=CC(=O)CCC1(C=CC(O)=C(O)C=1))=CC=2)'
p14172
S'C4(C=CC(C3(=CC=C2(C(C=CC1(=CC(O)=C(O)C(=C12)3))=O)))=CC=4)'
p14173
tp14174
sI4725
(S'CC1(CCC3(C(CO)=CC2(CC(C)(C)CC123)))'
p14175
S'CC1(CCC3(C(C=O)=CC2(CC(C)(C)CC123)))'
p14176
tp14177
sI4726
(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'
p14178
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'
p14179
tp14180
sI4727
(S'C(=CC(C1(=CC=C(C=C(O)1)O))=O)C2(C=C(C(=CC=2)O)O)'
p14181
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'
p14182
tp14183
sI4728
(S'[SeH2]'
p14184
S'C(S[Se])C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p14185
tp14186
sI4729
(S'CC1(C[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p14187
S'CC1(C=[N+](C)[CH]2(CC4(C3(=C([CH](C=1)2)C=CC=C3NC=4))))'
p14188
tp14189
sI4730
(S'C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4'
p14190
S'C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCSC4=CC=CC=C4'
p14191
tp14192
sI4731
(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'
p14193
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'
p14194
tp14195
sI4732
(S'C=C1(CCC(O)CC1=CC=C2(CCCC3(C)([CH](C(CCCC(O)(C)C)C)CC[CH]23)))'
p14196
S'CC(CCCC(O)(C)C)[CH]1(CC[CH]2(C(CCCC(C)12)=CC=C3(CC(CC(O)C(=C)3)O)))'
p14197
tp14198
sI4733
(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)'
p14199
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)'
p14200
tp14201
sI4734
(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)'
p14202
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)'
p14203
tp14204
sI4735
(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)'
p14205
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))'
p14206
tp14207
sI4736
(S'C1([N+])(C(O)C(O)C(O)C(NC(=[N+])N)C(O)1)'
p14208
S'C1(NC(=[N+])N)(C(O)C(=O)C(O)C(O)C(O)1)'
p14209
tp14210
sI4737
(S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p14211
S'C([O-])(=O)CC1(C=CC(=C(C=1)O)O)'
p14212
tp14213
sI4738
(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)'
p14214
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)'
p14215
tp14216
sI4739
(S'C2(C(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))=CC(=C(O)C=2)O)'
p14217
S'COC2(C=C(C=CC(=O)OC1(C(O)C(C(C(O1)CO)O)O))C=CC(O)=2)'
p14218
tp14219
sI4740
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C'
p14220
S'CC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(C)C)C)(C1COP(OP([O-])([O-])=O)([O-])=O)C))C)C)C'
p14221
tp14222
sI4741
(S'C(C1(C=C(C(=CC=1)O)O))=O'
p14223
S'COC1(C(=CC=C([CH]=O)C=1)O)'
p14224
tp14225
sI4742
(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)))'
p14226
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)))'
p14227
tp14228
sI4743
(S'[CH](=O)C=CC([CH]=O)=CC=C(O)C([O-])=O'
p14229
S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(O)1)'
p14230
tp14231
sI4744
(S'C2(OC1(=CC(=C(O)C=C1O2)[CH]3([CH](C4(C=CC(=CC(OC3)=4)O))O)))'
p14232
S'C2(OC1(=CC(=C(O)C=C1O2)C3(=CC4(C=CC(=CC(OC3)=4)O))))'
p14233
tp14234
sI4745
(S'CC1(C=CC=CC=1)'
p14235
S'CC1(C=CC=CC=1O)'
p14236
tp14237
sI4746
(S'[CH](CP([O-])(O)=O)=O'
p14238
S'C(CP([O-])(O)=O)[N+]'
p14239
tp14240
sI4747
(S'C2(C=CC(C(C1(=C(C=C(C=C1O)O)O))=O)=CC=2)'
p14241
S'CC2(OC3(=C(C=C4(OC1(C(=C(O)C=C([O-])C=1)C(C(=C(CC2)3)4)=O)))O))C'
p14242
tp14243
sI4748
(S'C2(NC1(C(Cl)=CC=CC=1C(CC([N+])C(=O)[O-])=2))'
p14244
S'C1(NC=CC=1C2(C(N)=C(Cl)C=CC=2))'
p14245
tp14246
sI4749
(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'
p14247
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'
p14248
tp14249
sI4750
(S'C1(CC(C([O-])=O)[N+]1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p14250
S'C1(C(O)C(C([O-])=O)N1CCC([N+]CCC(O)C(=O)[O-])C(=O)[O-])'
p14251
tp14252
sI4751
(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'
p14253
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'
p14254
tp14255
sI4752
(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'
p14256
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'
p14257
tp14258
sI4753
(S'C3(=C(CC(=O)OC1(OC(CO)C(O)C(O)C(O)1))C2(C=CC=CC=2N3))'
p14259
S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p14260
tp14261
sI4754
(S'C1([N+]C(CC1)C(=O)[O-])'
p14262
S'C(CC[N+])CC(=O)[O-]'
p14263
tp14264
sI4755
(S'CC(=O)CC(=O)C1(C(CC(=O)CC(=O)CC([O-])=O)=CC2(=CC(=CC(O)=C(C=1O)2)O))'
p14265
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))'
p14266
tp14267
sI4756
(S'C12(NC(=O)NC(C=1N=CN2)=O)'
p14268
S'CN1(C(NC(C2(=C1N=CN2))=O)=O)'
p14269
tp14270
sI4757
(S'C=C(C)C1(CCC(C)OC(=O)C1)'
p14271
S'C=C(C)C(CCC(O)C)CC([O-])=O'
p14272
tp14273
sI4758
(S'CC(CNC(N)=O)C(=O)[O-]'
p14274
S'CC(C[N+])C([O-])=O'
p14275
tp14276
sI4759
(S'C(O)C([N+])COP(=O)([O-])[O-]'
p14277
S'C(O)C([N+])CO'
p14278
tp14279
sI4760
(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)'
p14280
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)'
p14281
tp14282
sI4761
(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))'
p14283
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)))'
p14284
tp14285
sI4762
(S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=CC(O)=CC=2))'
p14286
S'C([N+])CC1(=CC=C(C=C1)OC2(C=CC(O)=CC=2))'
p14287
tp14288
sI4763
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)=C2C3)))'
p14289
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(O)(CO)C2=C3)))'
p14290
tp14291
sI4764
(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)'
p14292
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)'
p14293
tp14294
sI4765
(S'C([O-])(=O)CC1(C=CC(=C(C=1)O)O)'
p14295
S'COC1(=C(C=CC(=C1)CC([O-])=O)O)'
p14296
tp14297
sI4766
(S'C(=O)([O-])C(=O)CC(O)C(O)CS(=O)(=O)[O-]'
p14298
S'[CH](=O)C(O)CS(=O)(=O)[O-]'
p14299
tp14300
sI4767
(S'C1(NC2(=CC=CC=C(C=1CC(NC(C(=O)[O-])CC([O-])=O)=O)2))'
p14301
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))'
p14302
tp14303
sI4768
(S'CCC1(C=CC(O)=CC=1)'
p14304
S'CC(O)C1(C=CC(O)=CC=1)'
p14305
tp14306
sI4769
(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))))'
p14307
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))))'
p14308
tp14309
sI4770
(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-]))'
p14310
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-]'
p14311
tp14312
sI4771
(S'C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C=CBr'
p14313
S'C1=CC=C2C(=C1)C3C(=NC(=N3)C4=CC=C(C=C4)F)C5=CC=CC=C25'
p14314
tp14315
sI4772
(S'CC(C2(=C(C(=C(C1(=C(C(C(CC1=O)C)=O)2))C=O)[O-])OC))C'
p14316
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'
p14317
tp14318
sI4773
(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)'
p14319
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)))'
p14320
tp14321
sI4774
(S'C(CCC[N+]CCC[N+])[N+]CCC[N+]'
p14322
S'CC(=O)NCCC[N+]CCCC[N+]CCC[N+]'
p14323
tp14324
sI4775
(S'C([N+])CC1(=CC(I)=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p14325
S'C([N+])CC1(=CC=C(C(I)=C1)OC2(C=C(I)C(O)=CC=2))'
p14326
tp14327
sI4776
(S'COC1(=CC=C2(C(=C1)O[CH]3(C4(C=CC(O)=CC(OC[CH]23)=4))))'
p14328
S'COC1(=CC(=C(C=C1)C2(CC3(=CC=C(C=C(OC2)3)O)))O)'
p14329
tp14330
sI4777
(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))))'
p14331
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))))'
p14332
tp14333
sI4778
(S'C([N+])CCCN(O)C(=O)CCC(=O)[O-]'
p14334
S'C(N)CCCN(O)C(=O)CCC(=O)NCCCCN(O)C(CCC(O)=O)=O'
p14335
tp14336
sI4779
(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)'
p14337
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)'
p14338
tp14339
sI4780
(S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(OP(=O)([O-])[O-])CO)=2))'
p14340
S'C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2))'
p14341
tp14342
sI4781
(S'C(C1(=CC=CC=C1O))([O-])=O'
p14343
S'C1(=CC=C(O)C=C1)'
p14344
tp14345
sI4782
(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'
p14346
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)'
p14347
tp14348
sI4783
(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))))'
p14349
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))))'
p14350
tp14351
sI4784
(S'C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))'
p14352
S'C[N+]CCCC(=O)C1(C=CC=NC=1)'
p14353
tp14354
sI4785
(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)'
p14355
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))'
p14356
tp14357
sI4786
(S'CC(=O)C'
p14358
S'CC(=O)CC([O-])=O'
p14359
tp14360
sI4787
(S'C(O)C1(=CN=C(C(=C(CO)1)O)CO)'
p14361
S'CC1(=NC=C(C(=C1O)CO)CO)'
p14362
tp14363
sI4788
(S'CC2(C(C(=O)C1(C(O)=CC(O)=CC(O)=1))=C(O)C=C(O)C=2)'
p14364
S'CC3(C1(=C(OC2(C(C(=O)1)=C(O)C=C(O)C=2))C=C(O)C=3))'
p14365
tp14366
sI4789
(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)))'
p14367
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)'
p14368
tp14369
sI4790
(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))'
p14370
S'C1(=C(CC(=O)[O-])C3(C=CC=CC(N1C2(C(C(C(C(O2)CO)O)O)O))=3))'
p14371
tp14372
sI4791
(S'C=CC(CCC=C(CCC=C(C)C)C)(C)O'
p14373
S'C=CC=C(CCC=C(C)C)C'
p14374
tp14375
sI4792
(S'C1(=C(C=C(O)C(O)=C1)C2(OC3(C=C([O-])C=C(O)C(C(=O)C=2)=3)))'
p14376
S'COC1(=CC(=CC=C(O)1)C2(=CC(=O)C3(C(O)=CC([O-])=CC(O2)=3)))'
p14377
tp14378
sI4793
(S'CC(C([O-])=O)C1(OC(=O)C(=C1)Cl)(Cl)'
p14379
S'CC(C([O-])=O)=C1(OC(=O)C(Cl)=C1)'
p14380
tp14381
sI4794
(S'COC1(C=C(C=CC=1O)CC(C(CC2(=CC=C(C(=C2)OC)O))CO)CO)'
p14382
S'COC1(C=C(C=CC=1O)CC3(C(CC2(=CC=C(C(=C2)OC)O))C(OC3)O))'
p14383
tp14384
sI4795
(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)'
p14385
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)'
p14386
tp14387
sI4796
(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'
p14388
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'
p14389
tp14390
sI4797
(S'C(C(C(C(C(CO)O)O)O)=O)([O-])=O'
p14391
S'C(C(C(C(C(C([O-])=O)=O)O)O)=O)O'
p14392
tp14393
sI4798
(S'[CH](=O)C(O)CS(=O)(=O)[O-]'
p14394
S'C(=O)([O-])C(O)CS(=O)(=O)[O-]'
p14395
tp14396
sI4799
(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)'
p14397
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)'
p14398
tp14399
sI4800
(S'C(ONC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CC([N+])C([O-])=O'
p14400
S'C(CC([N+])C(=O)[O-])ONC(=[N+])N'
p14401
tp14402
sI4801
(S'C(=[N+])C(O)C(O)COP([O-])(=O)[O-]'
p14403
S'C(OP([O-])(=O)[O-])C(O)C(O)C([N+])CC(=O)C(=O)[O-]'
p14404
tp14405
sI4802
(S'C1(C=C3(C(=CC=1)C(C2(C(=CC=CC=2)3))=O))'
p14406
S'C3(=CC=C1(C(C2(=CC=CC(O)C(C(=O)1)(O)2))=C3))'
p14407
tp14408
sI4803
(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)'
p14409
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)'
p14410
tp14411
sI4804
(S'CC(=O)C(O)C(O)CC([N+])C([O-])=O'
p14412
S'C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)'
p14413
tp14414
sI4805
(S'CC(C)CCCC([CH]4(C1(C)([CH](C2([CH](CC1)C3(C)([CH](CC=2)CC(O)CC3)))CC4)))C'
p14415
S'CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3(C2=CC=C4(C(C)3CCC(O)C4))))'
p14416
tp14417
sI4806
(S'CC3(C=C(O)C=C2(OC(O)(CC1(=CC([O-])=CC(=O)O1))CC(=O)C2=3))'
p14418
S'CC1(=CC(O)=C3(C(=C1)CC2(=CC=CC(O)=C2C(=O)3)))'
p14419
tp14420
sI4807
(S'C1(OC(=CC(=C1)C([O-])=O)C([O-])=O)(=O)'
p14421
S'C(=O)([O-])C=C(CC(C([O-])=O)=O)C([O-])=O'
p14422
tp14423
sI4808
(S'C1(=O)(CCC(O)(N(C)1)C2(=CN=CC=C2))'
p14424
S'C1(N=CC=CC=1C(=O)CCC(=O)NC)'
p14425
tp14426
sI4809
(S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=NC(CC2(C=CC(=CC=2)O))C([O-])=O'
p14427
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'
p14428
tp14429
sI4810
(S'COC2(C(=CC3(OC[CH]4(OC1(C(=CC=C(C=1)O)C([CH](C(C=2)=3)4)=O))))OC)'
p14430
S'CC(C)=CCC1(C([O-])=CC=C4(C=1O[CH]3(COC2(C=C(C(=CC=2[CH]3C4=O)OC)OC))))'
p14431
tp14432
sI4811
(S'C[N+]1(CCCC1CC(CC([O-])=O)=O)'
p14433
S'C[N+]1(CCCC1CC(CC(OC)=O)=O)'
p14434
tp14435
sI4812
(S'C[N+]CC(O)C1(C=CC(=C(C=1)O)O)'
p14436
S'C[N+]CC(O)C1(C=CC(O)=C(OC)C=1)'
p14437
tp14438
sI4813
(S'CC2(C(C)=CC1(N(C=NC=1C=2)C3(C(O)C(O)C(COP([O-])(=O)[O-])O3)))'
p14439
S'CC2(C(C)=CC1(N(C=NC=1C=2)C3(C(O)C(O)C(CO)O3)))'
p14440
tp14441
sI4814
(S'C(=O)C(O)C(O)C(=O)[O-]'
p14442
S'C(C(C(C([O-])=O)O)O)([O-])=O'
p14443
tp14444
sI4815
(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))'
p14445
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))'
p14446
tp14447
sI4816
(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))'
p14448
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))'
p14449
tp14450
sI4817
(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)'
p14451
S'C3(C(C1(C(=O)C2(=C(OC=1)C=C(C=C2O)[O-])))=CC=C(O)C=3)'
p14452
tp14453
sI4818
(S'C(C1(C(C(C(O1)O)O)O))O'
p14454
S'C(C1(C(O)C(O)C(O)O1))O'
p14455
tp14456
sI4819
(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)'
p14457
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)'
p14458
tp14459
sI4820
(S'C(O)C1(C(O)C(O)C(OP(=O)([O-])[O-])O1)'
p14460
S'C(C1(OC(C(C1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O'
p14461
tp14462
sI4821
(S'CCCC1([N+]CCCC1)'
p14463
S'CCCC1([N+](CCCC1)C)'
p14464
tp14465
sI4822
(S'[As](O)([O-])O'
p14466
S'[As](=O)(O)([O-])[O-]'
p14467
tp14468
sI4823
(S'C1(C(Cl)=C(O)C([O-])=C(Cl)C(Cl)=1)'
p14469
S'C([O-])(=O)C(Cl)=CC(=C(Cl)C([O-])=O)Cl'
p14470
tp14471
sI4824
(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))))'
p14472
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))))'
p14473
tp14474
sI4825
(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)))'
p14475
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'
p14476
tp14477
sI4826
(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'
p14478
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'
p14479
tp14480
sI4827
(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)))'
p14481
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)'
p14482
tp14483
sI4828
(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))))'
p14484
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))))'
p14485
tp14486
sI4829
(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'
p14487
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'
p14488
tp14489
sI4830
(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))))'
p14490
S'CCC(C(C)=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(O)CCC(C)1C=2CCC(C)34))))'
p14491
tp14492
sI4831
(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-]'
p14493
S'C(S[Se])C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p14494
tp14495
sI4832
(S'C(=O)([O-])C([N+])C(=O)COP(=O)([O-])[O-]'
p14496
S'C(C(=O)C[N+])OP(=O)([O-])[O-]'
p14497
tp14498
sI4833
(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+])'
p14499
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)'
p14500
tp14501
sI4834
(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))'
p14502
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))'
p14503
tp14504
sI4835
(S'CC1(C=C(C=CC=1)CO)'
p14505
S'CC1(C=CC=C(C=O)C=1)'
p14506
tp14507
sI4836
(S'CC(NCCCCC([N+])C(=O)[O-])=O'
p14508
S'CC(NCCCCC(=O)C([O-])=O)=O'
p14509
tp14510
sI4837
(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)'
p14511
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))))'
p14512
tp14513
sI4838
(S'C(OP(=O)([O-])OP(=O)([O-])[O-])C1(OC(CC(O)1)N3(C=NC2(C(=O)NC(N)=NC=23)))'
p14514
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)))'
p14515
tp14516
sI4839
(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-])'
p14517
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))'
p14518
tp14519
sI4840
(S'CC(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-]'
p14520
S'CC(=C(CC([O-])=O)C([O-])=O)C([O-])=O'
p14521
tp14522
sI4841
(S'C([O-])(=O)C1(NC2(C(C1)=CC(=O)C(=O)C=2))'
p14523
S'C1(=CNC2(=C1C=C(O)C(O)=C2))'
p14524
tp14525
sI4842
(S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CCP(=O)([O-])C)NC(C)=O'
p14526
S'CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)C(CCP([O-])(=O)C)[N+]'
p14527
tp14528
sI4843
(S'C(=O)([O-])C(=O)CC(O)C(O)C(O)COP([O-])(=O)[O-]'
p14529
S'C1(C(O)C(O)C(=O)CC(O)(C([O-])=O)1)'
p14530
tp14531
sI4844
(S'C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N'
p14532
S'C1=CC(=CC=C1N)S(=O)(=O)N'
p14533
tp14534
sI4845
(S'[CH](=O)CC1(=CC=CC=C1)'
p14535
S'C1(=CC=C(C=C1)CC([O-])=O)'
p14536
tp14537
sI4846
(S'C(C(C(C([O-])=O)=O)O)OP([O-])(=O)[O-]'
p14538
S'C(=O)([O-])C([N+])C(O)COP([O-])(=O)[O-]'
p14539
tp14540
sI4847
(S'COC1(=C(O)C=CC(=C1)C3(OC[CH]4(C(C2(C=CC(O)=C(OC)C=2))OC[CH]34)))'
p14541
S'COC5(=CC(C3([CH]4(COC(C2(C=C1(OCOC1=CC=2)))[CH](CO3)4)))=CC=C(O)5)'
p14542
tp14543
sI4848
(S'C3(C(C2(OC1(C=C(C=C(C=1C(C2O)=O)O)[O-])))=CC(=C(C=3O)O)O)'
p14544
S'C1(C(O)=C(O)C(O)=CC=1C2(OC3(C=C(O)C=C(O)C(C(=O)C([O-])=2)=3)))'
p14545
tp14546
sI4849
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p14547
S'C([O-])(=O)C1(=CC(O)=CC=C1)'
p14548
tp14549
sI4850
(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'
p14550
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'
p14551
tp14552
sI4851
(S'C(C([N+])C(=O)[O-])S([O-])=O'
p14553
S'C([N+])CS([O-])=O'
p14554
tp14555
sI4852
(S'C2(=C(C1(C=CC=CC=1N2))C(O)CO)'
p14556
S'C2(=C(C1(C=CC=CC=1N2))C(O)C=O)'
p14557
tp14558
sI4853
(S'C(=O)([O-])C(C1(C=CC(=CC=1)O))O'
p14559
S'C([O-])(=O)C(C1(=CC=C(C=C1)O))O'
p14560
tp14561
sI4854
(S'CC1(=NC=C(COP([O-])(=O)[O-])C(=C(O)1)CO)'
p14562
S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p14563
tp14564
sI4855
(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))'
p14565
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))'
p14566
tp14567
sI4856
(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)))))))'
p14568
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)))))))'
p14569
tp14570
sI4857
(S'C([N+])CC1(=CC=CC=C1)'
p14571
S'[CH](=O)CC1(=CC=CC=C1)'
p14572
tp14573
sI4858
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=CC(OC)=C(N)1)C(=O)[O-])'
p14574
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=CC=C(OC)C(N)=1)'
p14575
tp14576
sI4859
(S'CC(C)=CCCC(=C[CH]=O)C'
p14577
S'CC(C)=CCCC(C)=CC=O'
p14578
tp14579
sI4860
(S'CC(CO)O'
p14580
S'CC([CH]=O)O'
p14581
tp14582
sI4861
(S'C([O-])(=O)C1(O)(CC(O)C(O)C(C1)OC(=O)C=CC2(=CC(O)=C(O)C=C2))'
p14583
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)'
p14584
tp14585
sI4862
(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'
p14586
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'
p14587
tp14588
sI4863
(S'CC(=CCCC(=CCC1(C(=CC=C(C=1)C(=O)[O-])O))C)C'
p14589
S'CC(=CCCC(=CCC1(C(=CC=C(C=1)O)O))C)C'
p14590
tp14591
sI4864
(S'CC(O)CSCCS(=O)(=O)[O-]'
p14592
S'CC(=O)CSCCS(=O)(=O)[O-]'
p14593
tp14594
sI4865
(S'CC(=CCC1(=C(C(=C(C(=C1[O-])CC=C(C)C)O)C(CC(C)C)=O)O))C'
p14595
S'CC(=CCC1(C(=C(C(C(C=1[O-])(O)CC=C(C)C)=O)C(CC(C)C)=O)O))C'
p14596
tp14597
sI4866
(S'COC2(=C1(C(NC=C(CC(=NOS(=O)([O-])=O)[S-])1)=CC=C2))'
p14598
S'COC2(C1(=C(NC=C(CN=C=S)1)C=CC=2))'
p14599
tp14600
sI4867
(S'C1(NC(=CC=1)C2(NC(C=O)=C(O)C=2))'
p14601
S'COC2(=C(C=O)NC(C1(NC=CC=1))=C2)'
p14602
tp14603
sI4868
(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)'
p14604
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)))'
p14605
tp14606
sI4869
(S'C([Se])C([N+])C([O-])=O'
p14607
S'C([Se]CC(C([O-])=O)[N+])CC([N+])C(=O)[O-]'
p14608
tp14609
sI4870
(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)))'
p14610
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)))'
p14611
tp14612
sI4871
(S'CC3(OC2(C(=C(O)C1(=C(O)C=C(OC)C=C1C=2))C(=O)C=3))'
p14613
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))'
p14614
tp14615
sI4872
(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))))'
p14616
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))))'
p14617
tp14618
sI4873
(S'C1(=CC4(=C(C=C1)NC3(C5(=C(C2(C(=O)NCC=2C=34))C6(=C(N5)C=CC=C6)))))'
p14619
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)))))))'
p14620
tp14621
sI4874
(S'CSCCC(C([O-])=O)=O'
p14622
S'CSCCC(C([O-])=O)O'
p14623
tp14624
sI4875
(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)))))))'
p14625
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)))))))'
p14626
tp14627
sI4876
(S'CN1(C2(C(=O)N(C(=O)N(C(N=C1)=2)C)C))'
p14628
S'CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))'
p14629
tp14630
sI4877
(S'CCCCCC=CCC=CCC=CCC=CCCCC(=O)[O-]'
p14631
S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p14632
tp14633
sI4878
(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)))'
p14634
S'C12(=C(C(NC(=N1)N)=O)C(=CN2)C#N)'
p14635
tp14636
sI4879
(S'CSCCC(C(=O)[O-])C(O)C([O-])=O'
p14637
S'CSCCCC(=O)C(=O)[O-]'
p14638
tp14639
sI4880
(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'
p14640
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)'
p14641
tp14642
sI4881
(S'C=CC3(CC[CH]2(C1(CCCC(C)(C)[CH]1CC=C2C3)C))C'
p14643
S'C=CC3(CC[CH]2(C1(CCCC([CH]1CC=C2C3)(C)C([O-])=O)C))C'
p14644
tp14645
sI4882
(S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C(O)=C(O)C(OC)=CC=1))OC2=C3)OC))'
p14646
S'COC1(=C(O)C(=CC=C(OC)1)C2(OC3(C(C(=O)C=2OC)=C(O)C=C(OC)C=3)))'
p14647
tp14648
sI4883
(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)'
p14649
S'C1(O)(C(O)C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(OP(=O)([O-])[O-])C(O)1)'
p14650
tp14651
sI4884
(S'CCC(CO)C'
p14652
S'CCC(C)[CH]=O'
p14653
tp14654
sI4885
(S'[SH2]'
p14655
S'C(SS)C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p14656
tp14657
sI4886
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p14658
S'CCC=CCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p14659
tp14660
sI4887
(S'C=C1(C4(CC[CH]3(C(C1)(C(O)C[CH]2(C(C([O-])=O)(C)CCCC(C)23))C4)))'
p14661
S'C=C1(C2(CC3(C1)(C([CH]4(C(C)(CCCC(C)([CH](CC2)3)4)C([O-])=O))C=O)))'
p14662
tp14663
sI4888
(S'C(=O)([O-])C=CC1(=CC=C(O)C=C1)'
p14664
S'C([O-])(=O)C=CC1(C=CC(O)=CC(O)=1)'
p14665
tp14666
sI4889
(S'CC2(C)(CC(C1(CC=C(C([O-])=O)CC1))=CCC2)'
p14667
S'CC2(C)(CC(C1(O)(CC=C(C([O-])=O)CC1))=CCC2)'
p14668
tp14669
sI4890
(S'CC1(=CC=C(C(=C1O)N)C([O-])=O)'
p14670
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)'
p14671
tp14672
sI4891
(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))'
p14673
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)))'
p14674
tp14675
sI4892
(S'C(=O)([O-])C(=O)C=C1(C=CC(=O)O1)'
p14676
S'C([O-])(=O)C=CC(CC(=O)C([O-])=O)=O'
p14677
tp14678
sI4893
(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))'
p14679
S'C(OP(=O)([O-])[O-])C1(OC(C(O)C(O)1)N2(C=CC(=O)NC(=O)2))'
p14680
tp14681
sI4894
(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))))'
p14682
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))))'
p14683
tp14684
sI4895
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCCCCCCCCCCC)=O)=O'
p14685
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p14686
tp14687
sI4896
(S'C[N+]CCCC(=O)[O-]'
p14688
S'C([CH]=O)CC(=O)[O-]'
p14689
tp14690
sI4897
(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)))'
p14691
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-])))'
p14692
tp14693
sI4898
(S'C([O-])(=O)CC(C([O-])=O)(CC1(=CC=C(C=C1)O))O'
p14694
S'C([O-])(=O)C(C(O)C([O-])=O)CC1(=CC=C(C=C1)O)'
p14695
tp14696
sI4899
(S'Cl(=O)(O)=O'
p14697
S'Cl([O-])=O'
p14698
tp14699
sI4900
(S'CCC15(C4(C2(C(C(C(OC)=O)(C1O)O)N(C3(=C2C=CC(OC)=C3))C)CC[N+]4CC=C5))'
p14700
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))'
p14701
tp14702
sI4901
(S'CC2(=CC(=C(C(=O)C1(C(C(OC)=O)=CC(O)=CC(OC)=1))C(O)=C2)[O-])'
p14703
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)'
p14704
tp14705
sI4902
(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'
p14706
S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C'
p14707
tp14708
sI4903
(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)'
p14709
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)))'
p14710
tp14711
sI4904
(S'CSCCCCCCCCC(=O)C([O-])=O'
p14712
S'CSCCCCCCCCC([N+])C(=O)[O-]'
p14713
tp14714
sI4905
(S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)C'
p14715
S'CC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C'
p14716
tp14717
sI4906
(S'C(C1(C=CC=C(C=1)O))O'
p14718
S'C(O)C1(=C(O)C=CC(O)=C1)'
p14719
tp14720
sI4907
(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)'
p14721
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)'
p14722
tp14723
sI4908
(S'C1(C2(CC3(CC1CC(C2)C3=O)))'
p14724
S'C1(C3(C(=O)C2(CC(CC1C2)(C3)O)))'
p14725
tp14726
sI4909
(S'C1(C(CC(C([O-])=O)=O)=CC=C(C=1)O)'
p14727
S'C1(C=C(O)C=CC=1CC(=O)[O-])'
p14728
tp14729
sI4910
(S'CC(=C3(CCC2(C1(C(C(CCC1)(C(O)O)C)CCC2=C3)C)))C'
p14730
S'CC(=C3(CCC2(C1(C(C(CCC1)(C=O)C)CCC2=C3)C)))C'
p14731
tp14732
sI4911
(S'CCCCCC(O)C=CC2(C1(CC(OO1)C(CC=CCCCC(=O)[O-])2))'
p14733
S'CCCCCC(O)C=CC2(OC1(CC(O1)C(CC=CCCCC(=O)[O-])2))'
p14734
tp14735
sI4912
(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)'
p14736
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)'
p14737
tp14738
sI4913
(S'COC3(=C(OC)C=CC(CC1(NC=CC2(C1=CC(=C(OC)C=2)OC)))=C3)'
p14739
S'COC3(=C(OC)C=CC(CC1(=NC=CC2(=C1C=C(C(OC)=C2)OC)))=C3)'
p14740
tp14741
sI4914
(S'C(O)C(O)CC(=O)C(=O)[O-]'
p14742
S'[CH](=O)CCC(C([O-])=O)=O'
p14743
tp14744
sI4915
(S'CSCCCCCCCC(=NO)S'
p14745
S'CSCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p14746
tp14747
sI4916
(S'CC(=CC(CC(=O)C([O-])=O)=O)C([O-])=O'
p14748
S'CC(=CC(=O)[O-])C(=O)[O-]'
p14749
tp14750
sI4917
(S'C([O-])(=O)C1(=CC(=O)C(O)C(O)C1)'
p14751
S'C(C1(C=C(C(=CC=1)O)O))(=O)[O-]'
p14752
tp14753
sI4918
(S'C1(=C(C=CC(=N1)O)C(=O)[O-])'
p14754
S'C1(C=C(O)N=C(O)C=1C(=O)[O-])'
p14755
tp14756
sI4919
(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))))))'
p14757
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))))))'
p14758
tp14759
sI4920
(S'C(OC(CC(C(=O)[O-])(O)CC(=O)[O-])=O)C([N+])C(=O)[O-]'
p14760
S'C([N+])COC(CC(C(=O)[O-])(O)CC(=O)[O-])=O'
p14761
tp14762
sI4921
(S'CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))'
p14763
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))))'
p14764
tp14765
sI4922
(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))'
p14766
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)))'
p14767
tp14768
sI4923
(S'C=CC(=O)N'
p14769
S'C=CC#N'
p14770
tp14771
sI4924
(S'C=C([CH]1([CH]2(C=C(CC[CH](C(CC1)C)2)C)))C'
p14772
S'CC1(CC[CH]2(C(CC[CH]([CH](C=1)2)C(CO)=C)C))'
p14773
tp14774
sI4925
(S'CC1(C(=O)C([O-])=C(C)O1)'
p14775
S'CC1(=C(O)C(O)=C(C)O1)'
p14776
tp14777
sI4926
(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)))'
p14778
S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p14779
tp14780
sI4927
(S'CC(=CCCC(=CCCC(=CC1(C(CCC=C(CCC=C(C)C)C)(C1COP(OP([O-])([O-])=O)([O-])=O)C))C)C)C'
p14781
S'CC(C)=CCCC(C)=CCCC(C)=CCC(O)C=C(C)CCC=C(C)CCC=C(C)C'
p14782
tp14783
sI4928
(S'CC2(C(=O)C(O)C1(COC(=O)C)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p14784
S'CC2(C(=O)C(O)C1(CO)(C4(CC(OC(=O)C)C(OC1C=2)C3(OC3)4)(C)))'
p14785
tp14786
sI4929
(S'C([O-])(=O)C1(C2(NC3(C=CC=C(C(NC(C=CC=1)=2)=3)C(=O)[O-])))'
p14787
S'C([O-])(=O)C3(C2(=NC1(C=CC=C(C(=O)[O-])C=1N=C2C=CC=3)))'
p14788
tp14789
sI4930
(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)'
p14790
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)'
p14791
tp14792
sI4931
(S'C(C(=O)[O-])(NC(=O)N)NC(=O)N'
p14793
S'C(NC(N)=O)([N+])C(=O)[O-]'
p14794
tp14795
sI4932
(S'CC1(N=CC(=C(C=1O)C=O)COP(=O)([O-])[O-])'
p14796
S'CC1(N=CC(COP(=O)([O-])[O-])=C(N=1)N)'
p14797
tp14798
sI4933
(S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCCCCC)=O)=O'
p14799
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCC=CCC=CCC)=O)=O'
p14800
tp14801
sI4934
(S'[CH](=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p14802
S'C([O-])(=O)C=CC1(=CC=C(C([O-])=O)OC(=O)1)'
p14803
tp14804
sI4935
(S'C(C=CC1(=CC=C(C=C1)O))(OC(CC2(C=CC(=C(C=2)O)O))C(=O)[O-])=O'
p14805
S'C(C=CC1(C=C(C(=CC=1)O)O))(OC(C([O-])=O)CC2(C=CC(=C(C=2)O)O))=O'
p14806
tp14807
sI4936
(S'CSCCCCCCCCC([N+])C(=O)[O-]'
p14808
S'C(=NO)CCCCCCCCSC'
p14809
tp14810
sI4937
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)[N+]2(C=CC=C(C(=O)N)C=2))'
p14811
S'C1(N=CC(C(=O)N)=CC=1)'
p14812
tp14813
sI4938
(S'CC34(CCC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p14814
S'CC34(C=CC(=O)C=C(CC[CH]1([CH](CCC2(C)(C(CC[CH]12)=O))3))4)'
p14815
tp14816
sI4939
(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)'
p14817
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)'
p14818
tp14819
sI4940
(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)))'
p14820
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)))'
p14821
tp14822
sI4941
(S'C1(=NC(N)=NC(N1)=O)(N)'
p14823
S'C1(=NC(=O)NC([O-])=N1)(N)'
p14824
tp14825
sI4942
(S'C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C([O-])=O)[N+])(CO)NC(=O)2))C(C([O-])=O)[N+]'
p14826
S'C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)'
p14827
tp14828
sI4943
(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))))'
p14829
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))))'
p14830
tp14831
sI4944
(S'CC(C)=CC1(N4(C(O)(C(O)C3(=C1NC2(C=C(C=CC=23)OC)))C(N5([CH](C4=O)CCC5))=O))'
p14832
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))'
p14833
tp14834
sI4945
(S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(C=O)C2=C3)))'
p14835
S'CC(C)C1(CCC3(C)(C=1CC(O)C(C)[CH]2(CCC(CO)C2=C3)))'
p14836
tp14837
sI4946
(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))'
p14838
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))'
p14839
tp14840
sI4947
(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-]'
p14841
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-]'
p14842
tp14843
sI4948
(S'C([N+])C1(C(O)C(O)C(O)C(O1)OC2(C([N+])CC(C(C2O)O)[N+]))'
p14844
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+]))'
p14845
tp14846
sI4949
(S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p14847
S'C1(C=C(O)C=CC=1C2(O)(OC3(C(C(=O)C2)=C(O)C=C([O-])C=3)))'
p14848
tp14849
sI4950
(S'CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)C=O)O)C))C))C4C5)C)C(=O)[O-])C'
p14850
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'
p14851
tp14852
sI4951
(S'CNC(N)=[N+]'
p14853
S'C[N+]'
p14854
tp14855
sI4952
(S'C(CCCNC(N)=O)[N+]'
p14856
S'C([N+])CCC[N+]'
p14857
tp14858
sI4953
(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'
p14859
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'
p14860
tp14861
sI4954
(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)'
p14862
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)'
p14863
tp14864
sI4955
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C([N+])O1)'
p14865
S'C(OP(=O)([O-])[O-])C1(OC(OP([O-])(=O)OP([O-])(=O)[O-])C(O)C(O)1)'
p14866
tp14867
sI4956
(S'C=CC(C)(C)C2(=C(C1(=CC=CC=C1N2))C[CH]3(C(N4(CCC[CH](C(N3)=O)4))=O))'
p14868
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))'
p14869
tp14870
sI4957
(S'C(P(C([O-])=O)([O-])=O)C(=O)C(=O)[O-]'
p14871
S'C([O-])(=O)C(=O)C[PH]([O-])=O'
p14872
tp14873
sI4958
(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)))))))'
p14874
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)))))))'
p14875
tp14876
sI4959
(S'CSCCCCCCCCC(S)=NO'
p14877
S'CSCCCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)'
p14878
tp14879
sI4960
(S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)O)))'
p14880
S'COC1(=CC(=CC=C1O)CC2(C3(C=C(C(=CC(CC[N+]2)=3)OC)OC)))'
p14881
tp14882
sI4961
(S'CC(C(C)O)NC(C)=O'
p14883
S'CC(C(C)O)[N+]'
p14884
tp14885
sI4962
(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)'
p14886
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)'
p14887
tp14888
sI4963
(S'C(CNO)CC([N+])C([O-])=O'
p14889
S'[CH](=O)N(O)CCCC([N+])C(=O)[O-]'
p14890
tp14891
sI4964
(S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C1)'
p14892
S'C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C=1)'
p14893
tp14894
sI4965
(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'
p14895
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))'
p14896
tp14897
sI4966
(S'C(O)C2(=NC1(C(=O)NC(N)=NC=1NC2))'
p14898
S'C2(C(COP(=O)([O-])OP(=O)([O-])[O-])=NC1(C(=O)NC(N)=NC=1N2))'
p14899
tp14900
sI4967
(S'C1(=CN(C(=O)NC(=O)1)C2(CC(O)C(CO)O2))'
p14901
S'C1(C(O)C(CO)OC1OP(=O)([O-])[O-])'
p14902
tp14903
sI4968
(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)'
p14904
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'
p14905
tp14906
sI4969
(S'CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC2(C1(C=CC=CC=1NC=2))'
p14907
S'CC(C)=CCCC1(OC1CCC(C)=CCCC(C)=CCC3(C2(C=CC=CC=2NC=3)))(C)'
p14908
tp14909
sI4970
(S'C(=O)([O-])CCCCC(O)(C([O-])=O)CC(=O)[O-]'
p14910
S'C(CCCCC(=CC(=O)[O-])C([O-])=O)([O-])=O'
p14911
tp14912
sI4971
(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-])'
p14913
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)))'
p14914
tp14915
sI4972
(S'CC(C)=CCNC1(=NC=NC2(NC=NC1=2))'
p14916
S'CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))C'
p14917
tp14918
sI4973
(S'C(O[N+](=O)[O-])C(O[N+](=O)[O-])CO'
p14919
S'C(O)C(O[N+]([O-])=O)CO'
p14920
tp14921
sI4974
(S'C(O)C1(OC(C(O)C(O)1)N3(C=NC2(C(=O)NC=NC=23)))'
p14922
S'C1(NC2(=C(N=1)N=CNC(=O)2))'
p14923
tp14924
sI4975
(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))))'
p14925
S'CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(CC(=O)CCC(C)1C=2CCC(C)34))))'
p14926
tp14927
sI4976
(S'COC3(C(=O)C1(C(=CC([O-])=CC(O)=1)OC(C2(C=C(O)C(O)=CC=2))=3))'
p14928
S'COC3(=CC(O)=C2(C(=O)C(=C(C1(C=C(O)C(O)=CC=1))OC2=C3)OC))'
p14929
tp14930
sI4977
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p14931
S'C([O-])(=O)C1(O)(C=CC=C(Cl)C(O)1)'
p14932
tp14933
sI4978
(S'C1(C=C2(OC3(=CC=CC=C(OC(=CC=1)2)3)))'
p14934
S'C1(C=C2(OC3(=CC=CC(O)C(OC(=CC=1)2)3O)))'
p14935
tp14936
sI4979
(S'C2(NC1(C(Cl)=CC=CC=1C(CC(=N)C(=O)[O-])=2))'
p14937
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)))))'
p14938
tp14939
sI4980
(S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C=C(O)2)O3)))'
p14940
S'COC1(=CC=C(C=C1)C3(=CC(=O)C2(=C(C=C(OC)C(O)=C(O)2)O3)))'
p14941
tp14942
sI4981
(S'COC1(C=C(O)C2(C(=O)C(O)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p14943
S'COC1(C=C(O)C2(C(=O)C(OC)=C(OC(C=1)=2)C3(=CC(O)=C(O)C(O)=C3)))'
p14944
tp14945
sI4982
(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))))'
p14946
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))))'
p14947
tp14948
sI4983
(S'CC(C)C(C)CCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))'
p14949
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))))'
p14950
tp14951
sI4984
(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))))'
p14952
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))))'
p14953
tp14954
sI4985
(S'C1(=C(Cl)C(=O)OC(=C(Cl)C(=O)[O-])1)'
p14955
S'C(=O)([O-])C(Cl)=CC(=O)C(Cl)C(=O)[O-]'
p14956
tp14957
sI4986
(S'CCC(=O)C(=O)[O-]'
p14958
S'CCC(O)(C(=O)[O-])C(C)=O'
p14959
tp14960
sI4987
(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)'
p14961
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)'
p14962
tp14963
sI4988
(S'C(=O)([O-])CC1(C=C(I)C(=C(I)C=1)OC2(=CC(I)=C(O)C(I)=C2))'
p14964
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))'
p14965
tp14966
sI4989
(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))))'
p14967
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))))'
p14968
tp14969
sI4990
(S'COC3(C2(=C(C(=O)C=C(C1(C=CC=CC=1))O2)C(O)=CC(O)=3))'
p14970
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))'
p14971
tp14972
sI4991
(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'
p14973
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'
p14974
tp14975
sI4992
(S'C1(=CC(O)=CC=C1C(=O)[C-]C(=O)C2(=C(O)C=C(O)C=C(O)2))'
p14976
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))'
p14977
tp14978
sI4993
(S'C1(C=C(Cl)C=C(C=1)C(=O)[O-])'
p14979
S'C([O-])(=O)C1(O)(C=C(Cl)C=CC(O)1)'
p14980
tp14981
sI4994
(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)))'
p14982
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)))'
p14983
tp14984
sI4995
(S'C1(NC=NC=1CC(COP([O-])(=O)[O-])=O)'
p14985
S'C1(NC=NC=1CC(COP([O-])(=O)[O-])[N+])'
p14986
tp14987
sI4996
(S'C(=O)C=C(CC([N+])C(=O)[O-])C=C(C([O-])=O)O'
p14988
S'C(C=C1(CC(NC(=C1)C(=O)[O-])C([O-])=O))=O'
p14989
tp14990
sI4997
(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)'
p14991
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)'
p14992
tp14993
sI4998
(S'CC(O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p14994
S'CC(=O)C(=O)[CH]1(CNC2(N=C(N)NC(=O)C(N1)=2))'
p14995
tp14996
sI4999
(S'CC([O-])=O'
p14997
S'C(C([O-])=O)CC([O-])=O'
p14998
tp14999
sI5000
(S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CCC2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p15000
S'C=C1(C3(CC4(C1)(C([CH]5(C2(C(=O)OC(CC(O)C2)([CH](CC3)4)5)(C)))C([O-])=O)))'
p15001
tp15002
sI5001
(S'CCCCCCCCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p15003
S'CCCCCC=CCC=CCCCCCCCC(OCC(COC1(OC(C(C(C1O)O)O)CO))OC(CCCCCC=CCCCCCCCC)=O)=O'
p15004
tp15005
sI5002
(S'C2(=C(C1(C=CC=CC=1N2))CC(=NOS(=O)(=O)[O-])[S-])'
p15006
S'C(C1(=CNC2(=C1C=CC=C2)))N=C=S'
p15007
tp15008
sI5003
(S'C1(=O)(C([N+])C(S)C(C([O-])=O)(C=S)N1)'
p15009
S'C1(=O)(C([N+])C(S)C(=CS)N1)'
p15010
tp15011
sI5004
(S'C([N+])CC1(=CC=C(C=C1)OC2(C=C(I)C(O)=CC=2))'
p15012
S'C([N+])CC1(=CC=C(C=C1)OC2(C=CC(O)=CC=2))'
p15013
tp15014
sI5005
(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))))'
p15015
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))))'
p15016
tp15017
sI5006
(S'C[CH]=C4(C(C(C=O)C(=O)OC)C[CH]3(N(CCC2(C1(C(=CC=CC=1)NC=23)))C4))'
p15018
S'C[CH]=C3(C=[N+]2(CCC4(C1(C=CC=CC=1NC([CH]2C[CH]3C(=CO)C(=O)OC)=4))))'
p15019
tp15020
sI5007
(S'C=C1(CC24(CC(O)1CCC(C3(C(CC2)C(C(O)=O)(C)CCC3)C)4))'
p15021
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))'
p15022
tp15023
sI5008
(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))'
p15024
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))'
p15025
tp15026
sI5009
(S'C1(C=C(C(=C(C=1)Cl)O)O)'
p15027
S'C(Cl)(=O)C=CC=C(O)C(=O)[O-]'
p15028
tp15029
sI5010
(S'C2(C(C=CC(C1(C(=CC(=CC(O)=1)O)O))=O)=CC=C(C=2)O)'
p15030
S'C3(=C(C2(OC1(C(=C(C=C(C=1)O)O)C(C2)=O)))C=CC(=C3)O)'
p15031
tp15032
sI5011
(S'COC2(=CC(O)=CC=C(C(=O)C=C([O-])C1(=CC=C(O)C=C1))2)'
p15033
S'COC1(C=C(O)C=CC=1C=CC(=O)C2(=CC=C(O)C=C2))'
p15034
tp15035
sI5012
(S'C([O-])(=O)CC1(=CNC2(C=CC=CC1=2))'
p15036
S'C2(=C(CC(NC(CC1(C=CC=CC=1))C(=O)[O-])=O)C3(C=CC=CC(N2)=3))'
p15037
tp15038
sI5013
(S'C([O-])(=O)C1(CC(C=N1)=CC=C(C(=O)[O-])O)'
p15039
S'C([O-])(=O)C1(CC(=C[N+]1)C=CC(C(=O)[O-])=O)'
p15040
tp15041
sI5014
(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))'
p15042
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))))))))'
p15043
tp15044
sI5015
(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)))'
p15045
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)'
p15046
tp15047
sI5016
(S'C[N+]16([CH](C3(=C(CC1)C=C2(C(OCO2)=C3)))CC5(=C(C4(=C(OCO4)C=C5))C6))'
p15048
S'CN4(CCC2(C=C1(C(OCO1)=CC=2C(=O)CC5(C=CC3(OCOC=3C(C4)=5)))))'
p15049
tp15050
sI5017
(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'
p15051
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'
p15052
tp15053
sI5018
(S'C1(C(=N([O-])=O)C(C(CC1=[N+](O)[O-])=N(=O)[O-])=O)'
p15054
S'C1(=CC(C(CC1=N(=O)[O-])=N(=O)[O-])=O)'
p15055
tp15056
sI5019
(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))'
p15057
S'C=CC3(C(OC=C(C(=O)OC)C(C[CH]2([N+]CCC1(=CC(OC)=C(O)C=C12)))3)O)'
p15058
tp15059
sI5020
(S'COC(C=C(C=C(C(=O)[O-])O)C([O-])=O)=O'
p15060
S'C(C=C(C=C(C([O-])=O)O)C([O-])=O)([O-])=O'
p15061
tp15062
sI5021
(S'C(O)C1(OC(OP(=O)([O-])[O-])C([N+])C(O)C(O)1)'
p15063
S'CC(=O)NC1(C(O)C(O)C(CO)OC(OP(=O)([O-])[O-])1)'
p15064
tp15065
sI5022
(S'CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O'
p15066
S'CC(C([O-])=O)O'
p15067
tp15068
sI5023
(S'CC1(C(CC2(CC3(C(=C)C(CCC(C)(CCC=1C(C)(C)2)3)O)))O)'
p15069
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))))'
p15070
tp15071
sI5024
(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)))'
p15072
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)'
p15073
tp15074
sI5025
(S'C4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p15075
S'CC(C)=CCC4(=CC3([CH]2(OC1(C(=CC=C(O)C=1)C(O)2COC=3C=C(O)4))))'
p15076
tp15077
sI5026
(S'C1(C=C(O)C(O)=CC=1C2(OC3(=C(C(=O)C=2[O-])C(O)=CC(O)=C3)))'
p15078
S'COC1(=CC(=CC=C(O)1)C2(OC3(C(C(=O)C([O-])=2)=C(O)C=C(O)C=3)))'
p15079
tp15080
sI5027
(S'C(COP([O-])(=O)[O-])C([N+])C([O-])=O'
p15081
S'C(SCC(C([O-])=O)[N+])CC([N+])C([O-])=O'
p15082
tp15083
sI5028
(S'C(OP([O-])(=O)[O-])C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p15084
S'C(O)C1(C(O)C(O)C(O1)N3(C2(=C(C(=NC=N2)N)C(=C3)C#N)))'
p15085
tp15086
sI5029
(S'C(#N=O)CCCCCCCCSC'
p15087
S'CSCCCCCCCCC(SCC(NC(CCC(C(=O)[O-])[N+])=O)C(=O)NCC([O-])=O)=NO'
p15088
tp15089
sI5030
(S'CC1(N=CSC(CCO)=1)'
p15090
S'CC1(N=CSC(CCOP([O-])(=O)[O-])=1)'
p15091
tp15092
sI5031
(S'C([O-])(=O)C=CC(CC(C([O-])=O)=O)=O'
p15093
S'C(C([O-])=O)=CC(=O)[O-]'
p15094
tp15095
sI5032
(S'C1(SC2(C(NC(=O)CCCC([N+])C(=O)[O-])C(=O)N(C(C(=O)[O-])=C(COC(=O)N)1)2))'
p15096
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))'
p15097
tp15098
s.