STRUCTURE_SMILES,TD50_Rat_mmol
ClC1=CC2=C(C=C1Cl)OC3=C(C=C(C(=C3)Cl)Cl)O2,0.000000073
C12C(OC3=C(N=1)C(=CC=C3C)C(N[C@@H]4C(N[C@@H](C(N5[C@@H](CCC5)C(N(CC(N([C@H](C(O[C@H]4C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)=C(C(C(=C2C(N[C@@H]6C(N[C@@H](C(N7[C@@H](CCC7)C(N(CC(N([C@H](C(O[C@H]6C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)N)=O)C,0.000000884
ClC1=C(Cl)C(Cl)=CC2=C1OC3=C(C=C(Cl)C(Cl)=C3Cl)O2,0.00000152
[N+](=N/CCC)(/CCC)[O-],0.00000185
O=C(C(C)=C4N)C2=C(C4=O)[C@](COC(N)=O)([H])[C@@](N2C3)(OC)[C@@]1([H])N[C@@]31[H],0.00000305
O=C(O2)C([C@@H](CC3)O)=C3C1=C2C4=C(O[C@@]5([H])[C@]([H])4C=CO5)C=C1OC,0.00000786
C12=C3C(C4=C(C(O3)=O)C(=O)CC4)=C(C=C1OC5C2C=CO5)OC,0.0000102
[N+](=N\C(C)C)(/C(C)C)[O-],0.0000206
C(C1)N1C(=CC(=O)C=2N(C3)C3)C(=O)C=2N(C4)C4,0.0000218
ClCOCCl,0.0000311
C1=CC=CC(=C1)CCN(C)N=O,0.0000608
ClCCN(C)CCCl,0.0000731
[Cl-].[Cd+2].[Cl-],0.0000742
O=S(=O)([O-])[O-].[Cd+2],0.000104
O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CCCl)N=O,0.00012
F[C@@]([C@](C=C4)(C)C3=CC4=O)2[C@@H](O)C[C@]([C@](C5)([H])[C@@]([H])2CC3)(C)[C@@]1([C@](CO)=O)[C@@H]5OC(C)(C)O1,0.000122
CN(CC(C)=O)N=O,0.000148
CN(C)P(=O)(N(C)C)N(C)C,0.000192
N(CC(CO)O)(CC(C)=O)N=O,0.0002
[O-]\[N+](CC)=N/CC,0.000215
[O-]\[N+](CC)=N/C,0.000215
CCN(CC)N=O,0.000259
O=NN1CCCCCCC1,0.000266
N(CC(CO)O)(CC(O)C)N=O,0.0003
OC([C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N)=O,0.000307
O=C(O[C@H](C)C2)C1=C2C(Cl)=CC(C(N[C@@H](CC3=CC=CC=C3)[C@@](O)=O)=O)=C1O,0.000337
[H][C@]12C3=CCN1CC[C@H]2OC(/C(CC([C@@](CO)(O)C(OC3)=O)=C)=C\C)=O,0.000341
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CC(O)CN(C)N=O,0.000392
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O=C(C1=CC=CN=C1)CCCN(N=O)C,0.000482
O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O,0.000487
C(CCCN(N=O)C)(O)C1C=NC=CC=1,0.000492
O=C(C4=CC(OC)=C(OC)C(OC)=C4)O[C@@H]1C[C@@]3([H])[C@@](C[C@](N5C3)([H])C2=C(CC5)C(C=C6)=C(C=C6OC)N2)([H])[C@H]([C@](OC)=O)[C@H]1OC,0.000503
BrC2=C(C=C(Br)C(Br)=C2)C1=C(Br)C=C(Br)C(Br)=C1,0.000513
O=NN(CC=C1)CC1,0.000536
N1C=CC=C(C=1)C2N(N=O)CCC2,0.00054
CN(CC)N=O,0.000571
N(C(=O)NCC(C)O)(N=O)C(C)Cl,0.000592
O=C(N(CC)N=O)OCC,0.000619
C[N+](=NC)[O-],0.000629
[H][C@]14[C@@]([C@]3([H])CC[C@@](O)(C#C)[C@](C)3CC4)([H])CCC2=CC(O)=CC=C12,0.000675
OCC(=O)[C@@]54OC(O[C@@H]5C[C@@H]1[C@]4(C)C[C@H](O)[C@@H]2[C@@]3(C)/C=C\C(=O)\C=C3\CC[C@@H]12)CCC,0.000676
O=NN1CCC(=O)NC1=O,0.000687
N/C1=N/C(=O)N(/C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,0.000696
O=C(N(C)N=O)C1=C(N(N=O)C)N=CN1C,0.000809
O=C(O[C@@H]5CC([C@@](CC5)(C)[C@]([H])3CC4)=CC[C@@]3([H])[C@@]2([H])[C@@]4(C)[C@]([C@H](C)CCCC(C)C)([H])CC2)CC1=CC=C(N(CCCl)CCCl)C=C1,0.000811
OC2=CC=C(C=C2)/C(CC)=C(CC)/C1=CC=C(O)C=C1,0.000831
S=P(N1CC1)(N1CC1)N1CC1,0.000867
CN(C(=O)N)N=O,0.000899
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O=NN1CCOCC1,0.000939
[H][C@]12N(CC=C2COC([C@@](O)(C(O)(C)C)[C@H](C)OC)=O)CC[C@@H]1OC(\C(C)=C/C)=O,0.000945
O=C1C2=C(C3=C(C=C2OC)OC4C3C=CO4)OC5=C1C(=CC(=C5OC)OC)O,0.000947
C1C(N(C(CN1N=O)C)C)C,0.00096
CN(C1=CC=CC=C1)N=O,0.00104
O=C(N(CC)N=O)NCC(=O)C,0.00105
BrC(CCl)CBr,0.0011
C1CCN(CN1N=O)N=O,0.00115
[O-]C12[C@@H](CC[N+](C)1CC=C2COC([C@](OC(C)=O)(C)[C@@H](C)\C=C3C=C)=O)OC/3=O,0.00123
CN(N=O)C,0.00129
[O-][N+](=O)c1ccc2c3ccccc3Cc2c1,0.00135
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C1=CC=CC(=N1)N(N=O)C,0.00156
CN1C2=C(C(OC)=CC3=C2C=CC(O3)(C)C)C(C4=C1C=CC=C4)=O,0.00157
CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-],0.0016
[O-][N+](C2=CC=C(O2)C1=CSC(NN(C)C)=N1)=O,0.00161
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NC1=C5C(C=C(S(=O)([O-])=O)C(/N=N/C6=CC=CC=C6)=C5O)=CC(S(=O)([O-])=O)=C1/N=N/C2=CC=C(C3=CC=C(/N=N/C4=C(N)C=C(N)C=C4)C=C3)C=C2.[Na+].[Na+],0.00178
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CC1=C2C3=C(C=C4C(=C3CC2)C=CC5=CC=CC=C45)C=C1,0.00183
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O=C(O[C@@H]1CC[N+]2([O-])[C@@]([H])1C3=CC2)\C(C[C@@H](C)[C@](O)(CO)C(OC3)=O)=C([H])/C,0.00195
O=C(C[C@@H]([C@@](O)=O)CC(O)=O)O[C@H]([C@@H](C)CCCC)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@@H](N)C)OC(C[C@@H]([C@@](O)=O)CC(O)=O)=O,0.00208
N1C2=C(C3=C1C=CC=C3)C(=NC(=C2C)N)C.CC(=O)O,0.00212
C1(C2=CC(=C(N)C=C2)C)(=CC(=C(N)C=C1)C).[H]Cl.[H]Cl,0.00221
O=[N+](C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[O-],0.00228
O=NN(C)CCCCCCCCCCCC,0.00235
N(CC(C)=O)(CC=C)N=O,0.00236
ClC/C=C/CCl,0.00238
CN(N=O)C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=NC=C2,0.00242
CN1CC[C@H]2OC(=O)C3(C[C@@H](C)[C@@](C)(O)C(=O)OC\C(=C\C1)C2=O)O[C@@H]3C,0.00242
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CC1SC(SC(N1N=O)C)C,0.00251
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NC(=O)N(CC=C)N=O,0.00264
O=C1OC(O)C(C(Cl)Cl)=C1Cl,0.00268
OC1=C(C([O-])=O)C=C(N=NC2=CC=C(C3=CC=C(N=NC4=C([O-])C(/N=N/C(C=C(S([O-])(=O)=O)C=C5)=C5[O-])=CC=C4O)C=C3)C=C2)C=C1.[Na+].[Na+].[Cu+2],0.00272
N(CCCC(F)(F)F)(CCCC(F)(F)F)N=O,0.00281
NC1=CC=C(/C=C/C2=CC(OC)=CC=C2OC)C=C1,0.00282
ClCCN[P]1(=O)OCCCN1CCCl,0.00283
ClC13C5(Cl)C2(Cl)C4C(Cl)(C(Cl)(Cl)C12Cl)C3(Cl)C4(Cl)C5(Cl)Cl,0.00286
O=C1O[C@@H]3CCN2C\C=C(\COC(=O)[C@](C)(O)[C@](C)(O)[C@H]1C)[C@@H]23,0.00289
ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl,0.00295
O=C(N(CCCCCC)N=O)N,0.00296
O=NN(CCN(C)C)C(=O)[NH2+]CC.[O-]N=O,0.00299
O=NN(CC(=O)C)CC(=O)C,0.0031
NC1=NN=C(C2=CC=C([N+]([O-])=O)O2)S1,0.00312
ClCCN(C(COC2=CC=CC=C2)C)CC1=CC=CC=C1.Cl,0.0032
CC1=C(C2=C(C=CC(=C2)OC)N1C(=O)C3=CC=C(C=C3)Cl)CC(=O)O,0.00321
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ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl,0.00324
NC1=CC=C(C2=CC=C(N)C(OC)=C2)C=C1OC.Cl.Cl,0.00328
C1N(C(OC1)=O)N=O,0.00332
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CN(N=O)C(=O)NCCC[C@H](N)C(O)=O,0.00361
[C@@H]1(NC(N(N=O)C)=O)[C@H]([C@H](O)[C@H](O[C@@H]1O)CO)O,0.00363
N(CC=C)(CCO)N=O,0.00377
C1=CC2=CC=CC3=CC=C4C(=C23)C1=C5C(=C4)C=CC=C5,0.00379
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CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2,0.00413
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[C@]13([C@@](C(=O)CO)(CC[C@H]1[C@@H]2CCC=4[C@@]([C@H]2[C@H](C3)O)(\C=C/C(C=4)=O)C)O)C,0.00424
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CC(NC1=CC=C(C2=CC=C(F)C=C2)C=C1)=O,0.00441
[N+](CCCl)(CCCl)(C)[O-],0.00444
C1=CC=C(C=[N+]1[O-])C2CCCN2N=O,0.00453
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NC1(=CC=C(C=C1)C2=CC=CC=C2).[H]Cl,0.00476
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C1(N=C(SC=1)NN)C2=CC=C(C=C2)N,0.00499
CC(C)C(O)(C(C)O)C(=O)OC\C1=C\CN2CC[C@@H](OC(=O)C(\C)=C\C)[C@@H]12,0.00501
CN(N=O)C1=C(C(NC)=O)N(C)C=N1,0.00507
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CC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2,0.00559
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[O-][N+](C=C2)=CC=C2/N=N/C1=CC=C(N(CC)CC)C=C1,0.00603
ClC54C(=O)C1(Cl)C2(Cl)C5(Cl)C3(Cl)C4(Cl)C1(Cl)C2(Cl)C3(Cl)Cl,0.00603
[O-][N+](=O)N(C)C,0.00607
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[O-][N+](=O)C1=CC=C(O1)C=NN2CCNC2=O,0.0235
O=NN(CCO)CCO,0.0236
N1C2=C(N3C=1/C(=C\C=C/3)C)N=C(C=C2)N,0.0237
N1C2=C(C3=C1C=CC=C3)C(=NC(=C2)N)C.CC(=O)O,0.0259
[NH3+]C2=C(C)C=C(C3=N2)C1=C(N3)C=CC=C1.O=C([O-])C,0.026
O=C(C)NC3=CC=C(C2=C3)C1=C(C2=O)C=CC=C1,0.026
Clc1nc(NCC)nc(NC(C)(C)C#N)n1,0.0263
O[C@@H]([C@@H](O)[C@H](O)CBr)[C@@H](O)CBr,0.0272
NC1=NC(C2=CC=C([N+]([O-])=O)O2)=CS1,0.0277
C12C(=CC(=C(C=1O)/N=N/C3=C(C=C(C=C3)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])OC)OC)S(=O)(=O)[O-])C=C(C=C2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],0.0277
CC(CC)[N+]([O-])=O,0.0277
O=NN(C(=O)N)CCC,0.0287
N(C(=O)N)(N=O)CC(=O)O,0.0293
[C@]24([C@@](C(COC(=O)CCCc1ccc(cc1)N(CCCl)CCCl)=O)(CC[C@H]2[C@@H]3CCC=5[C@@]([C@H]3[C@H](C4)O)(\C=C/C(C=5)=O)C)O)C,0.0297
CC1=C2C(=CO[C@H]([C@@H]2C)C)C(=C(C1=O)C(=O)O)O,0.0299
C1(=CC(=CC(=C1N)C)C)C.[H]Cl,0.0301
N(C1=CC=CC=C1)NC2=CC=CC=C2,0.0303
N[C@@H](CCSCC)C(=O)O,0.0304
C(N)(=O)OC(C#C)(C1C=CC=CC=1)C2C=CC(=CC=2)Cl,0.0307
CN(C)CCN(CC2=CC=CS2)C1=NC=CC=C1.Cl,0.0307
O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.[Mg+2],0.0314
O=S1(=O)CCCO1,0.0314
ClCC1CO1,0.032
CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,0.0326
O=C(N(CC(C)C)N=O)N,0.0326
N1=C(N=C(N(CO)CO)N=C1N(CO)CO)N(CO)CO,0.0333
O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC(=C(C=C3)O)O,0.0334
[N+](=O)([O-])c1ccccc1C,0.034
CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],0.0341
CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+]([O-])=O,0.0348
O=[N+](C1=CC=C(O1)/C=N/NC(=O)N)[O-],0.0352
CC(C(O)=O)(OC1=CC=C(C=C1)C2CCCC3=C2C=CC=C3)C,0.0354
N=C(C2=CC=C(N(C)C)C=C2)C1=CC=C(N(C)C)C=C1.[H]Cl,0.0362
N(CC(CO)O)(CCO)N=O,0.0364
N#CN(CC)N=O,0.0371
ClC#CCl,0.0377
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,0.0385
[O-][N+](C2=CC=C(O2)C1=CSC=N1)=O,0.0391
N1(CC(N(C(C1)C)C(C2C=CC=CC=2)=O)C)N=O,0.0391
C2C(=O)NC(=O)CN2CC(C)N1CC(=O)NC(=O)C1,0.0399
O=NN1CCSCC1,0.0408
O=[N+](C1=CC=C2C3=C1C=CC=C3CC2)[O-],0.0435
OC2=NN=C(O2)C1=CC=C([N+]([O-])=O)O1,0.0437
CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],0.044
O=[C@@]([C@@H]1C=C([C@]4([H])N(C)C1)C3=C2C(C4)=C(NC2=CC=C3)Br)N[C@@]5([C@H](C)C)C(N([C@@H](CC(C)C)C(N7CCC[C@@]67[H])=O)[C@@]6(O)O5)=O.O=S(O)(C)=O,0.0449
C=O,0.045
C1(=NC(=NC(=N1)NC(C)=O)C2=CC=C(O2)[N+](=O)[O-])NC(C)=O,0.046
C1(=CC=C(Cl)C=C1)N.[H]Cl,0.0465
NC1=CC=C(C=C1)OC2=CC=C(C=C2)N,0.0475
OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,0.0492
O=NN(CCCCCC1)CCCCCC1,0.0513
NC(=O)C=C,0.0528
[N+].C1(N(N=O)[O-])=CC=CC=C1,0.0538
O=[N+](C1=CC=CC2=CC=CN=C12)[O-],0.0564
OCC1CO1,0.0578
Br(=O)(=O)[O-].[K+],0.0588
[O-][N+](C3=CC=C(O3)C1=CN=C2N1C=CC=C2)=O,0.0593
NC(CCSCC)C(=O)O,0.0598
O=C/C=C/C,0.0599
N(N1CCCCC1C2=CC=CN=C2)=O,0.0622
O=[N+]([O-])C1=CC=C(O1)/C=N/N2C(N(CCO)CC2)=O,0.0623
CN(C)C2=CC=C(C=C2)CC1=CC=C(N(C)C)C=C1,0.0645
C1(CCN(C1)N=O)O,0.0659
CC/C(=C/CC)[N+](=O)[O-],0.067
ClCOC,0.0683
O=C(OC1=C2C(=CC=C1)C=CC=C2)NC,0.0701
[O-][N+](C1=CC=C(C2=CSC(NC(C)=O)=N2)O1)=O,0.0703
CC(N(C1=CC=CC2=C1CC3=C2C=CC=C3)C(C)=O)=O,0.0716
[Se]=S,0.0721
ClC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)Cl)N,0.0722
C(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N.[H]Cl.[H]Cl,0.0738
O=NN(CCN1)CC1,0.0763
CC(=O)N(CC)CC,0.0768
S=C1NCCN1,0.0796
CN(C)CNc2nnc(/C=C/c1ccc(o1)[N+]([O-])=O)o2,0.0802
O=C1C=C(NC(=S)N1)CCC,0.0805
C[As](=O)(C)O,0.0826
ClC1=C(C(=C(C(=C1OC)Cl)Cl)Cl)Cl,0.0885
O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr,0.0896
O=S(=O)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N,0.0902
C1(C)=CSC(=N1)NNC=O,0.0916
O=C1NC(=S)NC=C1,0.0929
C=CCl,0.0978
C1=C(CO)OC=C1,0.0979
COC1=C(C=CC=C1)[N+](=O)[O-],0.102
OC(C=C)C1=CC=C2OCOC2=C1,0.103
C1CCC[C@@H](N1N=O)C,0.103
ClC2(Cl)C1(Cl)C(\Cl)=C(\Cl)C2(Cl)C(C1C(O)=O)C(O)=O,0.105
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,0.108
O=C1N(C=C)CCC1,0.108
ClC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)Cl)N,0.111
O(C)c1cc(CC=C)ccc1OC,0.111
O=C(C)OC(C2=CC1=C(C=C2)OCO1)C=C,0.114
S=C(N(CC)CC)SCC(=C)Cl,0.117
O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,0.118
C1(N=CNN=1)N,0.118
OC1=CC=C2C(=C1/N=N/C3=CC=CC=C3)C=CC=C2,0.118
C1(N(C(C)=NC=1)C)[N+](=O)[O-],0.12
O=C1C2=C(C(=CC(=C2C(=O)C3=C1C=CC=C3)Br)Br)N,0.121
C(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=C3C=CC(C=C3)=N.[H]Cl,0.122
[O-]\[N+](C)=N/CC,0.131
C1(/N=N/C2=CC=CC=C2)=CC=CC=C1,0.132
S=C([S-])N(C)C.[S-]C(N(C)C)=S.[Zn+2],0.133
NC1=C(C=C2C3=C(C=CC=C3)OC2=C1)OC,0.136
C=C(Cl)C=C,0.141
C([O-])(C)=O.[Pb+2].[O-]C(C)=O,0.143
ClCCCl,0.148
CC(=O)O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3,0.15
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,0.15
CC(=S)N,0.153
C1CCC[C@H](N1N=O)C,0.159
CC1CC(=O)O1,0.16
ClC(C(C)=C2)=CC(S(=O)([O-])=O)=C2/N=N/C1=C3C(C=CC=C3)=CC=C1O.ClC(C(C)=C5)=CC(S(=O)([O-])=O)=C5/N=N/C4=C6C(C=CC=C6)=CC=C4O.[Ba+2],0.164
CC(=NO)C,0.166
OC(C1=CC=C(C(=C1)CO)O)CNC(C)(C)C,0.167
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(NC(C)=O)C=C2,0.167
ClC1=NC(=NC(=N1)NC(C)C)NCC,0.17
NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,0.171
C1=C2C(=CC=C1)C=CC=C2,0.172
C=CBr,0.173
Cl.CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2,0.174
C[As](C)(C)=O,0.177
ClC(Cl)(Cl)Cl,0.181
S=C(NCC)NCC,0.182
C1(=C(C=CC=C1)N)OC.[H]Cl,0.186
C1(/C=C(\C=C/C1=O)CCN)=[N+]=[N-].[H]Cl,0.188
O=C=NC1=CC(N=C=O)=CC=C1C,0.194
O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)C\C3=C\O,0.201
O=[N+](C1=CC=CC=C1)[O-],0.207
C1CCCN(O1)N=O,0.209
C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)C\C=C/C2,0.21
S=C(N(C)C)NC,0.218
C1(C(N\C(=N/C1=O)[O-])=O)(CC)CC.[Na+],0.222
OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,0.222
[O-]C(C)=O.[O-]C(C)=O.[Pb+2].[OH-].[OH-].[Pb+2].[OH-].[OH-].[Pb+2],0.224
C=CC1=CC=CC=C1,0.224
CN[N+](=O)[O-],0.229
N12C3=C(C=CC(=N3)N)N=C1C=CC=C2,0.23
CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N).[H]Cl,0.232
ClC(C(Cl)(Cl)Cl)(Cl)Cl,0.234
O=C(C)NCC1=NC(=NO1)C2=CC=C(O2)[N+]([O-])=O,0.236
ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)(Cl)Cl,0.239
COC1C=C(C=CC=1C2NC3=CN=CC=C3N=2)S(C)=O,0.245
CC1=CC(=C(C=C1C)N)C,0.249
O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)N,0.25
Cl\C(Cl)=C(Cl)/C(Cl)=C(Cl)\Cl,0.252
N1C=NN(C=1)CC(CN2N=CN=C2)(C3=C(C=C(C=C3)F)F)O,0.263
O=C1OC2=C(C=CC=C2)C=C1,0.268
C=CCN(CC=C)N=O,0.269
CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,0.289
O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3,0.29
O(C1=CC=CC=C1)CC2CO2,0.293
O=C(C[C@@H](C[C@@H](/C=C/C1=C(C2=C(N1C(C)C)C=CC=C2)C3=CC=C(C=C3)F)O)O)O,0.304
NC1=CC=CC(C)=C1.[H]Cl,0.304
O=P(OCCCl)(OCCCl)OCCCl,0.304
O=[N+](C1=CN=C(S1)N)[O-],0.307
OS(=O)(=O)O.NN,0.314
O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)[N+](=O)[O-],0.317
C=CC#N,0.318
O=[N+](C1=CC(=C(C=C1)OC)N)[O-],0.321
C1(C2=CC=CC=C2)(C(NC(=NC1=O)[O-])=O)CC.[Na+],0.338
C1(NC(CN1N=O)=O)=O,0.339
O=S(C1=NC2=C(C=CC(=C2)OC)N1)CC3=C(C(=C(C=N3)C)OC)C,0.345
OC1=C(C=CC=C1OC)O,0.348
C\C(C)=C/Cl,0.351
S=C(N1CCOCC1)SN1CCOCC1,0.366
CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CCOC(=O)C)C)C)C,0.381
C1C(OC(O1)C(C)I)CO,0.391
FCCl,0.402
O\N=C1\CCCC1,0.413
O=C1C2=C(C=CC=C2C(=O)C3=C1C=CC=C3)O,0.417
CC1=C(C=CC=C1)N=O,0.419
OCC(CO)(CBr)CBr,0.424
NC1=CC2=C(C=CC=C2)C=C1,0.43
C=CF,0.434
NC1=C2C(=CC=C1)C(=CC=C2)N,0.44
ClC(Cl)Br,0.443
O=C1C2=CC(=CC=C2C(=O)C3=C1C=CC=C3)N,0.452
C1C(C2=CC=CC=C2)O1,0.461
NC(=O)OCC,0.464
C1CO1,0.484
C1=CC=CC=C1C(O)C(N(C)N=O)C,0.49
CC(CON=O)C,0.525
C1=C(C(=CC(=C1N)C)C)C.[H]Cl,0.574
O=C1C2=C(C(=CC=C2N)N)C(=O)C3=C(C=CC(=C13)N)N,0.582
[Mn+2].[S-]C(=S)NCCNC(=S)[S-],0.592
[O-][N+](C1=CN=C(NC(NCC)=O)S1)=O,0.606
O=C1C2=CC3=C(C=C2N(C=C1C(=O)O)CC)OCO3,0.639
,0.647
OC1=C(C=CC=C1)O,0.649
O=C(N(C)C)NC1=CC=C(C=C1)Cl,0.659
[O-][N+](C)=O,0.662
CCC1=CC=CC=C1,0.684
O=C1N(CC(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-],0.684
CC(OC1=CC=C(C=C1)Cl)(C(=O)OCC)C,0.696
COC2=CC=C(C=C2)CN(CCN(C)C)C1=NC=CC=C1.OC(\C=C/C(O)=O)=O,0.697
NC1=CC(=CC=C1OC)C,0.714
CCCCOP(=O)(OCCCC)OCCCC,0.717
O=[N+](C1=CC(=C(C=C1)N)O)[O-],0.72
C(CCl)(F)(F)F,0.737
OC1=CC=C(C=C1)O,0.752
NC(=O)OC,0.754
ON=C1C=CC(=NO)C=C1,0.767
NC(C=C(C=C1)N)=C1OC.O=S(O)(O)=O,0.775
C1/C=C\CN(O1)N=O,0.794
O=[N+](OC(CO[N+](=O)[O-])CO[N+](=O)[O-])[O-],0.806
C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](/CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=C(C=C5)N(C)C.[Na+],0.834
O=NN(C1=CC=CC=C1)C2=CC=CC=C2,0.842
Cl\C=C\CCl,0.847
N1=CC=CC=C1,0.851
CCC(C)=NO,0.855
C12(C(=CC(=C(C=1/N=N/C3=C(C=C(C=C3)C)C)O)S(=O)(=O)[O-])C=C(C=C2)S(=O)(=O)[O-]).[Na+].[Na+],0.864
O=C(CC(C)C)OCC=C,0.865
O=C1C2=C(N=C(C=C2)C)N(C=C1C(=O)O)CC,0.866
CCCC1=CC2=C(C=C1)OCO2,0.871
CC(C)(C)O,0.872
ClC(=C(Cl)Cl)Cl,0.874
Cl\C=C\CCl,0.901
S=C([S-])NCCNC([S-])=S.[Zn+2],0.925
C1(C(=CC=C(C=1)C)C)N.[H]Cl,0.964
C=CCN=C=S,0.968
CC1=C(C=C(C=C1)C)OCCCC(C(=O)O)(C)C,0.987
N(C1C=CC(=CC=1)N=O)C2=CC=CC=C2,1.01
O=C1C2=C(C=CC=C2O)C(=O)C3=CC=CC(=C13)O,1.02
CN(C1=CC=CC=C1)C,1.03
CC1=CC(C)=C(/N=N/C2=C(C(S([O-])(=O)=O)=CC3=C2C=CC(S([O-])(=O)=O)=C3)O)C=C1C.[Na+].[Na+],1.05
F/C(F)=C(\F)F,1.07
O=C(C1=CC=NC=C1)NN,1.09
NC2=CC=C(C=C2N)C1=CC=C(N)C(N)=C1.Cl.Cl.Cl.Cl,1.1
O=C(OCC)C=C,1.19
NC1=CC=C(/N=N/C2=CC=CC=C2)C(N)=N1.Cl,1.21
CC(=C)CCl,1.25
OC(=O)C(Cl)Cl,1.25
O=P(H)(OC)OC,1.26
CC1CO1,1.28
NC(=S)N,1.29
C(=C/C=O)\[O-].[Na+],1.3
Cn3nc(CO)nc3NCCCOc2cc(CN1CCCCC1)ccc2,1.33
N(CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].O,1.34
OC1=C(C=CC=C1)C2=CC=CC=C2,1.36
CCBr,1.37
C1(=C(C=CC=C1)N)N.[H]Cl.[H]Cl,1.37
OC1=C(C=C(C=C1)C)/N=N/C2=CC=C(C=C2)NC(=O)C,1.41
NC1=CC(S(=O)([O-])=O)=CC2=C1C(O[Cu]OC4=C(C=CC(C5=CC(O[Cu]OC7=C(C(S(=O)([O-])=O)=CC8=C7C(N)=CC(S(=O)([O-])=O)=C8)\N=N6)=C/6C=C5)=C4)\N=N3)=C/3C(S(=O)([O-])=O)=C2.[Na+].[Na+].[Na+].[Na+],1.44
ClC1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-],1.48
NC1=C(C=CC(=C1)Cl)N,1.5
CC(=C)[C@@H]1CCC(=CC1)C,1.5
OC1=C(C=CC(=C1)/C=C/C(=O)O)O,1.65
OC(=O)C1=CC=C(C=C1)[N+](=O)[O-],1.72
CC(C)(C)NCC(O)C1=CC(O)=CC(=C1)O,1.82
O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC,1.83
O=N(=O)c1ccc(C)cc1,1.87
CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2,1.87
NC2=NC(C3=CC=CC=C3)=C(CCOCC)C1=NC=NN12,1.93
OC1=C(C=C(C=C1)N)[N+](=O)[O-],2
OC1=C(C=CC(=C1)C)O,2
OC1=C(C=C(C=C1Cl)Cl)Cl,2.05
SC1=NC2=C(C=CC=C2)S1,2.06
NC1=CC=CC=C1[H]Cl,2.08
O(CC1(C)C)C1=O,2.11
C1=CC=CC=C1,2.16
ClC1=CC=CC=C1,2.19
ClC(Cl)Cl,2.19
NC1=C(C=CC(=C1)N)Cl,2.21
OC1=CC=C(C=C1C(C)(C)C)OC,2.25
O=N[O-].[Na+],2.42
C12(C(=CC(=C(C=1/N=N/C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4)O)S(=O)(=O)[O-])C=C(C=C2)S(=O)(=O)[O-]).[Na+].[Na+].[Na+],2.43
BrC(Br)Br,2.56
C1(=CC=CN=C1)CCl.[H]Cl,2.64
[K+].[I-],2.65
O=C2c1ccccc1C(=O)c3c2c(O)cc(O)c3O,2.65
C=CCC1=CC=C2C(=C1)OCO2,2.72
C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O,2.75
O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,2.83
NC(NC1=CC=C(C=C1)OCC)=O,2.98
C1COCCO1,3.03
CC(=O)N,3.05
CCC1CO1,3.05
P(=O)(OC)(OC)N1CCOCC1,3.15
N1(C(=CN=C1C)[N+](=O)[O-])CCO,3.17
C1(=CC=C(C=C1)O)NC(C)=O,3.27
OC1=C(O)C=C4C(C[C@](COC2=C3C=CC(O)=C2O)([C@@]34[H])O)=C1,3.31
C1(=C(C=CC=C1)C(OCCCC)=O)C(OCC2=CC=CC=C2)=O,3.33
COC1=CC(=C(C=C1)N)C,3.43
CC=O,3.47
BrC1=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br,3.48
[Na+].[O-]C1=C(C=CC=C1)C2=CC=CC=C2,3.5
C1=COC2=C1C=CC=C2,3.59
C1=CC=C(C(O)C)C=C1,3.75
O=C1N(C2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C1CCCC,3.76
[Na+].C1(=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-])NC3=CC=CC=C3,3.78
OC1=CC=C2C(=C1/N=N/C3=C(C=C(C=C3)C)[N+](=O)[O-])C=CC=C2,3.81
FC(F)(F)CNC(=N)Nc1ccn(CCCCC(N)=O)n1,3.82
CC(=O)OC=C,3.96
C(CCC)(CCC)C(=O)[O-].C(CCC)(CCC)C(=O)[O-].[Ca+2],3.98
C3=CC=CC(NS(=O)(=O)C2=CC=C(N=NC1=CC=C(O)C(C(O)=O)=C1)C=C2)=N3,3.99
CC1CC(OC(O1)C)OC(=O)C,4.11
C(CC(=O)O)C(=O)O.C(OCCN(C)C)(C)(C1=CC=CC=C1)C2=CC=CC=N2,4.14
ClC1=CC=C(C=C1)Cl,4.38
C1=CC=CC=C1C(COC(N)=O)COC(N)=O,4.58
CC(=C)C=C,4.6
C=CC=C,4.83
ClC(=CCl)Cl,5.08
COC1=CC=C(C=C1)O,5.3
O=[N+](C1=CC(=C(C=C1)O)N)[O-],5.44
OC(=O)CCCCCCCCCCN,5.46
COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,5.5
CP(=O)(OC)OC,5.64
C1CCCO1,5.64
NC1=NC(=NC(=N1)N)N,5.83
O=C1NC(=O)NC=C1,5.99
Cl.Cl.Cl.Cc1ccc(cn1)C\C2=C\N/C(=N\C2=O)NCCSCc3ccc(CN(C)C)o3,6.43
CN1N(C2=CC=CC=C2)C(=O)C=C1C,6.53
O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl,6.92
CC(=O)NC1=CC=C(C=C1)OCC,6.97
O=CC1=CC=CO1,7.11
O=S(=O)(C1=CC=C(C=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+],7.11
CC(OC)(C)C,7.96
ClCCl,8.52
ClC1=C(C(=C(C(=C1C#N)Cl)Cl)Cl)C#N,8.54
CC1(CC(=CC(=O)C1)C)C,8.75
C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](\CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=CC=C5.[Na+],8.77
OC(=O)CN(CC(=O)O)CC(=O)O,9.26
OC1=CC2=C(C=C1)OCO2,9.77
[Al+3].[O-]P(=O)OCC.[O-]P(=O)OCC.[O-]P(=O)OCC,10.3
O=C1[N-]S(=O)(=O)C2=CC=CC=C12.[Na+],10.4
CC1=NC=CN1,10.6
O=C(OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC)CCCCCCC,11.7
N=C(N)NC1=NC(CSCCNC2=NSN=C2N)=CS1,15.1
ClC(Cl)C(F)(F)F,15.5
O=C(CCC(=O)O)NN(C)C,15.6
OCCOCCO,15.6
O=S(C1=C3C(C=CC=C3)=C(O)C(/N=N/C2=CC(S(=O)([O-])=O)=C(C)C=C2C)=C1)([O-])=O.[Na+].[Na+],16.9
O=C1OC2=C(C=CC=C2)CC1,20
CC1=C(C=CC=C1)S(=O)(=O)N,23.1
CC1=CC=CC(C)=C1,29.3
CC1=CC=CC=C1,33.2
NCC1(CC(=O)O)CCCCC1,34.2
CC1=C(C=CC(=C1)C)C,36.2
C12(C(=CC(=CC=1S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC(=C2/N=N/C3=C4C(=C(C=C3)S(=O)(=O)[O-])C=CC=C4)O).[Na+].[Na+].[Na+],40.5
C\C1=C\N(C(=O)NC1=O)[C@H]2C[C@H](/N=[N+]=[N-])[C@@H](CO)O2,43.4
CC(Cl)(Cl)F,45
NC1=C(C=CC=C1)C(=O)OC/C=C/C2=CC=CC=C2,47.8
CC(C)=C,63.3
C(O)(=O)[O-].[K+],130
CCO,198
FCC(F)(F)F,293
NCC(O)=O,342