NR-AR,NR-AR-LBD,NR-AhR,NR-Aromatase,NR-ER,NR-ER-LBD,NR-PPAR-gamma,SR-ARE,SR-ATAD5,SR-HSE,SR-MMP,SR-p53,mol_id,smiles
0,0,1,,,0,0,1,0,0,0,0,TOX3021,CCOc1ccc2nc(S(N)(=O)=O)sc2c1
,,,,,,,0,,0,,,TOX3024,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,,0,,0,0,TOX3027,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX20800,CC(O)(P(=O)(O)O)P(=O)(O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX5110,CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6619,O=S(=O)(Cl)c1ccccc1
0,,0,,1,,,1,0,1,0,1,TOX25232,O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX22514,OC[C@H](O)[C@@H](O)[C@H](O)CO
,,,,,,,0,,0,,,TOX22517,CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zn+2]
0,0,,,0,0,0,0,0,0,0,0,TOX25238,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX6612,CC(C)COC(=O)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6615,C=C(C)C(=O)OCCOC(=O)C(=C)C
0,0,0,,0,0,,1,0,0,0,,TOX15748,Cl/C=C\C[N+]12CN3CN(CN(C3)C1)C2
0,0,0,0,0,0,1,0,0,0,0,0,TOX14833,O=C([O-])Cc1cccc2ccccc12
0,0,0,0,,0,0,,0,,0,0,TOX26524,CCN(CC)C(=O)c1cccnc1
,,,,,,,0,,0,,,TOX26526,CCOC(=O)c1cccnc1
0,0,,0,1,1,0,,0,,0,0,TOX26521,CCOc1ccc(S(=O)(=O)O)c2cccnc12
0,0,1,,1,0,,1,1,0,,0,TOX4460,Nc1ccc(/N=N/c2ccccc2)cc1
0,0,1,,0,0,0,,0,,,,TOX22631,CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
0,0,0,,0,0,,0,0,0,,0,TOX22633,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX1883,C#CCO
0,0,0,0,0,0,0,0,0,0,,0,TOX4463,Nc1ccccc1S(=O)(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1885,CC(O)CC(C)(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1886,CC(C)(C)CC(C)(C)N
0,0,0,0,0,0,0,0,0,0,0,0,TOX1889,CC(=O)CC(C)C
0,0,1,0,0,0,0,0,0,0,0,0,TOX4465,Nc1nc2ccccc2[nH]1
0,,1,,,0,,1,0,0,1,1,TOX1106,Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX161,c1ccc(-c2ccccc2)cc1
0,0,1,0,0,,0,0,0,0,,0,TOX22180,CNC(=O)Nc1ccc(Cl)c(Cl)c1
0,0,0,0,,0,0,0,0,0,,0,TOX22181,CC(=O)Nc1ccc(C)c(Cl)c1
0,0,0,0,0,0,0,0,0,1,0,0,TOX22187,CCCCNC(=S)NCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX22188,CCCCNC(=O)NCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX22189,CC(C)N(c1ccccc1)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7876,CCc1cccc(C)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX7877,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1
0,0,0,,0,0,0,0,0,1,0,0,TOX7875,CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
0,0,0,0,0,0,0,1,0,0,0,0,TOX7870,CCCCCCCCCCC=CC1CC(=O)OC1=O
0,0,,0,0,,,0,0,,1,,TOX4110,CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4112,CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,0,1,,0,0,0,0,0,0,0,TOX4113,CCOP(=S)(CC)Sc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27698,CC/C=C\CCCCO
,0,1,,1,0,0,1,1,0,1,0,TOX27695,Nc1ccccc1C(=O)Oc1ccc2ccccc2c1
0,0,1,0,0,0,0,,0,0,0,0,TOX24280,C=C[C@H]1CN2CCC1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX10138,CC(=O)CCC(C)=O
0,0,,0,0,0,0,1,0,0,,0,TOX21721,O=C1c2ccccc2C(=O)C1c1ccc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2n1
0,0,0,,,0,0,1,0,0,,0,TOX21726,O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)cc3)c(S(=O)(=O)[O-])cc2c1)c1ccccc1
0,0,0,,0,0,,0,0,0,,0,TOX24000,CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2
0,0,0,,0,0,,,0,0,,0,TOX24002,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27071,Cc1ccccc1CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27070,Cc1nc(C)c(C)nc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27072,CC1=CC(O)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27075,Cc1cnc(C)c(C)n1
0,0,0,0,,0,0,0,0,0,0,0,TOX27074,CC(C)COC(=O)c1ccccc1
0,0,0,0,,0,0,0,0,0,0,0,TOX27078,C=C(C)[C@@H]1CC=C(C)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX19719,O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ca+2]
0,0,1,,0,0,0,0,0,0,,0,TOX24915,CC1COc2ccccc2N1
0,0,0,0,0,0,0,0,0,0,,0,TOX24914,O=C(O)c1cc(Cl)cc(Cl)c1O
0,,0,,,,,,0,,,,TOX24913,CCCCCCCCCCCC(=O)NCCCN(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24911,CC(C)CCCCCOC(=O)CCS
0,0,0,0,0,0,0,0,0,0,0,0,TOX956,O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
0,0,0,0,0,0,0,0,0,0,0,1,TOX24919,CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
0,0,1,0,0,0,0,0,0,0,,0,TOX24918,C=CCOc1c(Br)cc(Br)cc1Br
0,0,0,0,0,0,0,,0,0,0,0,TOX9739,F[B-](F)(F)F.[H+]
0,0,0,0,0,0,0,0,0,0,0,0,TOX9733,CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
0,0,1,,1,0,0,1,0,0,,0,TOX6050,C(=C/c1ccccc1)\c1ccccc1
0,0,,,,0,0,0,0,0,,0,TOX5649,Cc1ccc2c(ccc3ccccc32)c1
0,0,0,0,1,1,0,,0,0,0,1,TOX2967,C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O
0,0,1,,,0,0,1,0,,,0,TOX2614,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
0,0,0,0,0,0,0,0,0,0,0,0,TOX2617,COC(=O)C1=CCCN(C)C1
,,,,,,,0,,0,,,TOX2611,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5642,Cc1ccc(C(=O)O)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX2612,CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27158,CCCCCC(C)O
0,0,0,0,0,0,0,0,0,0,,0,TOX1708,O=C([O-])c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1709,NC(=O)c1ccccc1
,,,,,,,0,,0,,,TOX25756,CCN1CCc2nc(N)oc2CC1
0,0,0,,,0,0,,0,,,0,TOX25757,CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1
,0,0,0,0,0,0,,0,,0,0,TOX25755,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br
0,0,0,0,0,0,,0,0,0,,0,TOX25752,OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25753,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
0,,0,,,0,,1,0,0,0,0,TOX25750,CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
0,0,1,0,1,1,0,1,0,,1,0,TOX958,Nc1ccc([N+](=O)[O-])cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX14836,[I-].[K+]
0,,1,,0,0,,1,0,0,1,0,TOX18317,Oc1nc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,1,0,0,0,0,TOX5391,C/C=C/C=C/C=O
1,,0,,,0,,1,0,0,,0,TOX4781,O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Cl
0,0,0,0,0,1,0,0,0,0,0,0,TOX5395,C[Si](C)(C)N[Si](C)(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX4783,C=CC(=O)OCCCl
0,0,0,0,0,0,0,,0,0,0,0,TOX25538,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1
0,0,,0,0,0,0,0,0,0,0,0,TOX12375,C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX25531,CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25536,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
0,0,0,0,0,0,0,,0,,,0,TOX25537,CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)N3[C@@H]1O
0,0,0,,0,0,0,0,0,0,,0,TOX12379,CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX28632,O=C(O)/C=C(\CC(=O)O)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX28633,CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC2(C)C)C(C)(C)C1
0,0,0,,,0,,1,0,,,1,TOX14792,CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1
,,,,,,,0,,0,,,TOX28636,CNCC(=O)c1ccc(O)c(O)c1
0,0,0,,0,0,0,0,0,1,0,0,TOX24394,CC(C)(C)C1CCC(=O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3568,CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCCC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12
0,0,,0,0,0,0,,0,,0,,TOX28634,CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
0,0,0,0,0,0,0,,0,,0,0,TOX3565,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
0,0,0,0,0,0,0,,0,,0,0,TOX28635,CCCCC(=O)[O-]
,,,,,,,0,,0,,,TOX26715,Nc1ccncc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7014,CCCCCCC(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22494,CCC[Si](OC)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27088,CC1=C(CC=O)C(C)(C)CCC1
0,0,0,0,,0,0,0,0,0,0,0,TOX3702,NCCNCCNCCN
0,0,1,1,,0,0,1,0,0,0,0,TOX4280,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
0,0,1,0,1,1,0,1,1,1,,0,TOX4930,Cc1ccc(N)c(N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4931,CCCCCNCCCCC
0,0,0,0,1,0,0,0,0,0,1,0,TOX4937,c1ccc2c(c1)Oc1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX4286,CC1CN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4287,CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
,,,,,,,,,0,,,TOX25914,NCC(=O)CCC(=O)O
0,0,0,0,0,0,0,0,0,0,1,0,TOX175,Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1
0,0,1,0,,0,0,0,0,0,1,0,TOX25916,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
0,0,0,0,1,0,0,0,0,0,0,0,TOX173,ClCOCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX179,CC(O)CNCC(C)O
0,0,,0,0,0,0,0,0,0,0,0,TOX13979,C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
0,0,0,,,0,0,1,0,0,0,0,TOX17262,CC(=O)[C@H]1[C@H](C#N)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,,0,0,0,0,TOX5886,CCOC(=O)C1OC1c1ccccc1
0,0,1,,1,0,0,,0,0,,0,TOX5889,ONc1ccccc1
0,0,0,0,0,0,0,0,0,,0,0,TOX5888,O=CC(=O)c1ccccc1
0,0,0,0,,0,0,,0,1,0,0,TOX21803,[Cu]I
0,0,0,0,0,0,0,0,0,0,0,0,TOX21530,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-]
0,0,0,0,0,0,0,,0,0,,,TOX25005,ClCc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX6867,O=C(O)CCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6864,CCCCCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6863,CC(O)COCC(C)O
,,,,,,,0,,0,,,TOX31626,Cc1ccc(C(=O)C(=O)[O-])cc1C
0,0,1,0,0,0,0,0,0,0,0,0,TOX2107,Cc1ncc[nH]1
0,,0,1,,0,1,,0,0,,,TOX27268,COc1ccc2sc(C(=O)Nc3nnn[n-]3)c(OC(C)C)c2c1
0,0,1,,1,0,0,0,1,0,,0,TOX27264,Oc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
0,0,0,0,0,0,0,,0,0,,0,TOX27265,O=C(O)CCN(C1(C(=O)NO)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
0,0,0,0,,0,0,,0,0,0,0,TOX27266,O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1
0,0,0,0,0,0,0,1,0,0,,0,TOX27261,CC[C@H](C)[C@@H](C(=O)O)n1sc2ccccc2c1=O
0,,0,0,0,0,,0,0,0,0,0,TOX27262,Cc1cc(SC2=C(O)C[C@@](CCc3ccc(N)cc3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO
0,0,,0,0,0,0,,0,0,0,0,TOX27263,CCn1nc(C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2
,,,,,,,0,,0,,,TOX28974,CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1
0,0,0,0,0,0,0,,0,,0,0,TOX3721,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22379,CO[Si](C)(C)OC
0,0,0,,0,0,,,0,0,1,0,TOX20283,CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,1,1,,0,0,1,0,0,1,0,TOX20287,CN(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
0,0,0,,0,0,0,0,0,0,0,0,TOX20285,CC(=O)c1ccccc1O
0,0,0,0,0,0,0,0,0,,0,0,TOX20289,O=C(O)c1cccc(Cl)n1
0,0,0,0,,0,,0,0,0,0,0,TOX1553,CCCCCCCCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4704,Cc1ccc(C(C)(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1557,BrCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX10307,Nc1cc(Cl)cc(Cl)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX1554,CCCCCCCCCC(=O)O
0,,0,,,,0,,,,1,,TOX1559,CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27484,O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Mg+2]
0,0,0,0,1,0,0,0,0,0,0,0,TOX27487,CCCCCCCCCOS(=O)(=O)[O-]
0,0,0,0,0,0,0,1,0,0,0,0,TOX7249,O=Cc1ccc(C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7244,CCC(Cl)CCl
0,0,0,0,1,0,0,0,0,0,0,0,TOX7246,O=C1CCCN1
0,,0,0,0,0,0,0,0,0,,0,TOX7241,ClCc1ccccc1Cl
0,0,,0,0,0,0,1,0,0,,0,TOX7240,Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24613,N#CC1(N=NC2(C#N)CCCCC2)CCCCC1
0,,0,0,1,1,1,1,1,,0,,TOX24615,C=CC(=O)OCCOC(=O)C=C
0,0,0,0,0,0,0,0,0,0,0,,TOX24616,CCCC[P+](CCCC)(CCCC)CCCC
0,0,0,0,0,0,0,0,0,,0,0,TOX24617,N#CCc1cccc(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24618,COc1cccc(Br)c1
0,,1,,1,0,0,,0,,,0,TOX21884,CCC1OCC(COc2ccc(Oc3ccccc3)cc2)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21880,Cc1cc(OC(=O)N(C)C)nn1C(=O)N(C)C
0,0,1,0,,0,,,1,1,1,,TOX26235,Cc1ccc2c(Br)cc(Br)c(O)c2n1
0,0,1,1,1,1,,0,0,0,1,0,TOX768,O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
0,0,0,0,0,0,0,0,0,0,0,0,TOX760,O=P1(NCCCl)OCCCN1CCCl
,,,,,0,0,0,0,0,0,0,TOX761,C=CC(=C)C
0,,0,,0,0,0,0,0,,0,0,TOX762,CC(C)O
0,0,,,0,0,0,0,1,0,,0,TOX764,CC(C)OC(=O)Nc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX767,CC=Cc1ccc2c(c1)OCO2
0,0,0,,0,0,0,0,0,0,0,0,TOX17072,CCCC(CCC)C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX21085,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
0,0,0,0,1,1,0,0,0,,1,,TOX27871,CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1
0,0,0,0,0,,0,0,0,0,1,0,TOX27872,Cc1ccc(C=C2C(=O)C3CCC2C3(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27875,CC(C)C[P+](C)(CC(C)C)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27874,C=C1C[C@]23CC[C@@H]4[C@](C)(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CCC[C@]4(C)[C@@H]2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C3
0,,,1,,,,,,,1,,TOX27876,CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
0,0,1,0,0,0,0,,0,0,,0,TOX6267,Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1
0,0,0,1,0,0,0,0,0,0,,0,TOX6261,O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl
0,0,,,,0,0,,,,,0,TOX6268,Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5074,O=C(O)c1ccc(O)cc1O
0,,,,,,,1,,,1,,TOX5076,O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
0,0,0,0,0,0,0,0,0,0,1,0,TOX5070,CC1=CC(C)(C)Nc2ccccc21
0,0,1,0,,0,,,0,,1,,TOX5078,Cc1cc(=O)oc2cc(O)cc(O)c12
0,0,0,0,0,0,0,,0,,0,0,TOX26230,Cc1ccccc1OCC(O)CNCCOc1ccc(C(N)=O)cc1
0,,1,,1,1,,1,1,0,,,TOX2394,COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1
0,0,1,,1,1,1,1,0,,1,,TOX2396,O=c1cc(-c2ccccc2)oc2cc(O)cc(O)c12
0,0,1,,1,1,,1,1,0,1,1,TOX2391,O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
,,,,1,1,,1,0,0,1,,TOX2393,O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O
1,1,0,0,0,0,0,,0,,0,0,TOX3049,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
0,,,,0,0,0,0,0,0,,0,TOX3043,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1
0,,,,0,,0,1,0,,,,TOX3042,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX3041,NC(=O)OCC(COC(N)=O)c1ccccc1
0,0,0,0,0,0,0,,0,,,0,TOX3044,CCNC(C)Cc1cccc(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12412,COC(=O)c1ccc(C)cc1C1=NC(=O)C(C)(C(C)C)N1
0,0,1,,0,0,0,,0,,1,0,TOX12416,CSc1nc(NC2CC2)nc(NC(C)(C)C)n1
,,,,,,,0,,0,,,TOX25252,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
0,0,0,0,0,0,0,,0,,0,0,TOX25250,CCC1(C)CC(=O)NC(=O)C1
0,0,0,,,0,0,1,0,0,1,0,TOX22579,O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccc(F)cc1)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX545,NC(=S)NNC(N)=S
0,0,0,0,0,0,,0,0,0,0,0,TOX815,CC1CN1P(=O)(N1CC1C)N1CC1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX540,O=C(Oc1ccccc1)Oc1ccccc1
0,0,1,,0,0,,1,0,0,0,1,TOX810,S=c1[nH]cnc2[nH]cnc12
0,1,1,,,1,1,,,1,,1,TOX811,[Hg+2]
0,0,0,0,0,0,0,,0,0,,0,TOX548,CCCCCCCCCCCCNC(=N)N
0,0,0,0,0,0,0,0,0,,0,0,TOX819,COc1nn(CSP(=S)(OC)OC)c(=O)s1
0,0,0,0,0,0,0,0,0,0,0,,TOX26502,NC1=NCC2c3ccccc3Cc3ccccc3N12
0,0,0,0,0,0,0,0,0,0,0,0,TOX26503,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,0,0,0,,0,,,0,TOX26500,O=C([O-])CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26506,NC(=O)c1cn(Cc2c(F)cccc2F)nn1
0,0,,,,0,0,,,,0,0,TOX26055,COc1ccc(C=CC(=O)OCCC(C)C)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX29089,CCn1cc[n+](C)c1C.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,1,0,0,0,0,TOX29087,CCCCn1cc[n+](C)c1.F[B-](F)(F)F
0,0,1,,0,0,,,0,,,0,TOX26508,F/C(COc1ccc2c(c1)[nH]c1ccccc12)=C1/CN2CCC1CC2
0,0,0,0,0,0,0,,0,,0,0,TOX26509,CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX29083,CCC[n+]1ccn(C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,,0,,1,,1,,0,,,1,TOX29080,Brc1c2ccccc2cc2ccccc12
0,0,,0,0,0,0,0,0,0,0,0,TOX29081,CCO/C=C1\N=C(c2ccccc2)OC1=O
0,0,0,0,0,0,0,,0,,0,0,TOX22612,CNc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22613,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX22614,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2
0,0,0,0,0,0,0,,0,,0,0,TOX22618,Cc1cc(C)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c1
0,0,1,,0,0,0,1,0,0,,,TOX14818,COP(=O)(OC)SCn1c(=O)oc2cc(Cl)cnc21
0,,0,,0,0,0,,0,1,0,1,TOX27673,Cc1occc1SSc1ccoc1C
0,0,0,0,,0,,,0,1,1,0,TOX27672,Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27670,CC=CC(=O)CC
0,0,0,0,0,0,0,,0,0,0,0,TOX27674,CC1=C(O)C(=O)OC1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27678,c1cnc2c(n1)CCCC2
0,0,1,,0,0,0,,0,0,,0,TOX21709,Cc1cc(S(=O)(=O)[O-])ccc1/N=N/c1c(O)ccc2ccccc12
0,0,0,0,0,0,,0,0,0,,1,TOX117,Nc1cnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2800,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
0,,1,,,,0,,1,1,1,1,TOX2801,Oc1c(Cl)cc(Cl)c2cccnc12
0,,0,1,,,,1,0,,1,,TOX29085,CCCCCCCCCCCCCCn1cc[n+](C)c1
0,,0,,0,0,,1,0,0,,1,TOX5948,O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX9710,O=P(Cl)(Cl)Cl
0,0,0,0,0,0,,1,0,0,0,0,TOX671,CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccccc2)cc1
1,0,1,,0,0,,1,1,,1,1,TOX6076,O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
0,0,0,0,0,1,0,0,0,0,0,0,TOX537,CN(C)CCOC(c1ccccc1)c1ccccc1
0,0,0,0,0,0,,,0,,,0,TOX2941,CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc21
0,0,0,0,0,,0,0,0,0,0,,TOX2940,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5665,Cc1c[nH]c(=S)[nH]c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2944,COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3
0,0,1,0,0,0,0,0,0,0,0,0,TOX616,CC12CCC(CC1)C(C)(C)O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX9575,C=COCC1CCC(CO)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25888,CC(=O)NC1CCSC1=O
0,0,1,,0,,,1,1,0,0,1,TOX9572,CC1COc2ccccc2N1C(=O)C(Cl)Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX1761,CC(N)CN
0,0,0,0,,0,0,0,0,0,0,0,TOX1762,CCC(C)O
0,,,,,,,,,,,,TOX25881,CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC
0,0,0,0,0,0,0,,0,,0,0,TOX25885,O=c1oc2cc(O)ccc2s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX617,C=CCc1ccc(O)c(OC)c1
0,0,1,,,,,,0,,,1,TOX20547,CC1(S(=O)(=O)[O-])CC(=O)c2ccccc2C1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX28900,Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2
0,0,0,,,0,,,0,,1,,TOX28903,CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
1,0,1,,1,0,0,,0,,0,0,TOX28905,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX24289,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
0,0,0,0,1,0,0,,0,,0,0,TOX24288,O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21
0,0,0,0,0,0,0,,0,0,0,0,TOX24935,CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](O)OC(C)=O.CC(=O)O[Cr](OC(C)=O)OC(C)=O
0,1,0,,,1,1,,1,,0,,TOX24936,C=CC(=O)OCCn1c(=O)n(CCOC(=O)C=C)c(=O)n(CCOC(=O)C=C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24931,C=C(C)C(=O)OCCNC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24930,NS(=O)(=O)c1ccccc1OC(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX24933,O=C=NCC1CCCC(CN=C=O)C1
0,0,0,,1,1,,0,0,0,,,TOX25081,O=C(O)c1ccccc1O.Oc1cccc2cccnc12
1,,0,0,1,1,0,,0,,0,0,TOX25086,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O
0,0,0,0,,0,,1,0,0,0,,TOX25084,O=C(O)[C@@H](S)[C@H](S)C(=O)O
,,,,,,,0,,0,,,TOX25088,Cc1ncc(CO)c(CN)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25089,NS(=O)(=O)c1ccc(C(=O)O)cc1
,,,,,,,0,,0,,,TOX26652,C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H]([C@@H]2CCNC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)C[C@@H](N)CCCN)NC1=O
0,0,0,0,0,0,0,0,0,0,1,0,TOX3542,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX10780,Cc1ncc(CO)c(CO)c1O
0,0,0,0,0,0,0,0,0,0,,0,TOX3548,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1
0,0,1,0,1,1,0,0,0,0,,0,TOX3549,C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
0,0,,0,0,0,0,0,0,0,,0,TOX29277,Brc1cc2ccccc2c2ccccc12
0,0,,0,0,0,0,0,0,0,0,0,TOX7032,CC(C)(N)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7037,O=S1(=O)CCCC1
0,0,0,0,0,0,0,1,0,0,0,0,TOX7034,O=[N+]([O-])C(CO)(CO)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX7039,OCC(CO)(CO)COCC(CO)(CO)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX3722,O=[N+]([O-])OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX3723,NC(CO)(CO)CO
0,0,,,0,0,0,,0,1,0,1,TOX24429,O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3727,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3725,COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24421,CC(=O)c1cccnc1
0,0,0,,0,0,0,0,0,0,,0,TOX24420,O=S1(=O)OC(c2ccc([O-])cc2)(c2ccc(O)cc2)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX24427,O=CN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24424,NCc1cccnc1
0,,0,,,0,0,,0,1,,1,TOX12315,CCCCCCCCn1sc(Cl)c(Cl)c1=O
0,0,0,0,0,0,0,0,0,0,1,0,TOX12316,Cc1cc(O)cc(C)c1Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX29361,O=[Zr](Cl)Cl
0,0,0,,,0,,,,0,,,TOX3656,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX29367,c1ccc2cnncc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX23814,CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX13402,O=P(O)(OCc1ccccc1)OCc1ccccc1
0,0,,0,0,0,,,0,1,1,1,TOX155,S=C=NCc1ccccc1
0,0,0,,0,0,0,1,0,0,1,0,TOX154,Oc1ccc(Cl)cc1Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX153,ClCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX152,OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17248,COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1
0,0,0,,0,0,0,0,0,0,0,0,TOX3270,CN(C)C(=N)NC(=N)N
0,0,0,0,1,0,0,0,0,0,0,0,TOX5866,C[NH+](C)CCC(c1ccccc1)c1cccc[nH+]1
0,0,1,1,0,0,0,,0,0,0,0,TOX5864,CCOc1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21550,CC(C)=CCC[C@H](C)CCO
0,0,,0,0,0,0,0,0,0,0,0,TOX5862,CCOc1cccc(N)c1
1,0,1,,1,0,0,0,1,0,,0,TOX5861,Nc1ccccc1C(=O)OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6802,CC(C)CC(O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24916,C=C(C)C(=O)OCCOP(=O)(O)OCCOC(=O)C(=C)C
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0,0,0,0,0,0,0,,0,,0,0,TOX26269,c1ccc2c(c1)OCC(CN1CCCCC1)O2
0,0,0,0,0,0,0,,0,,0,0,TOX26268,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX11492,C=C(C)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26263,Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX26260,O=C1CC[C@@H](C(=O)O)N1
0,0,,0,0,0,0,,0,0,0,0,TOX26266,CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2
0,0,0,0,,,,,0,,,0,TOX26265,CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O
0,0,,0,0,0,0,0,0,0,0,0,TOX26264,CCOc1cc(NC(C)=O)ccc1C(=O)OC
0,,0,,0,0,1,,,,,0,TOX24910,CC(O)C#CC(C)O
0,0,1,,0,,0,1,0,1,1,1,TOX27242,COc1ccc(N)cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX27241,O=C1NC(=O)C(=O)C(=O)N1
0,0,0,,,,,1,,,1,,TOX27246,CC(C)(C)c1cc(/C=C2\SC(=N)NC2=O)cc(C(C)(C)C)c1O
0,0,0,0,0,0,,,0,0,1,0,TOX27249,CCc1cc(C2=C(C(=O)[O-])N(c3ccccc3C(F)(F)F)S(=O)(=O)c3ccccc32)cc2c1OCO2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1232,O=S(=O)([O-])c1ccc2c(/N=N\c3ccc(S(=O)(=O)[O-])c4ccccc34)c(O)c(S(=O)(=O)[O-])cc2c1
0,0,,,,0,0,,,0,1,0,TOX20732,O=C=Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20731,CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX20735,C1CCC2(CCCCO2)OC1
,,,,,,,0,,0,,,TOX20734,CCCCC(CC)COC(=O)c1ccccc1O
0,0,0,0,,0,,,0,0,,0,TOX20738,CN(C)CCCN1c2ccccc2CCc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX4097,CCCCOCCO
0,1,0,,,0,1,,1,1,1,,TOX22390,[O-][n+]1ccccc1[S-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4091,CCCN(CCC)C(=O)SCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX22394,O=S(=O)([O-])c1cccc2ccccc12
0,0,1,0,0,0,,,0,0,,,TOX22399,CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@H]2CC1
0,1,1,,,,0,0,1,0,1,1,TOX894,CN(C)c1ccc(C(=O)c2ccc(N(C)C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX892,Cc1ncc([N+](=O)[O-])n1CCO
0,,0,0,1,0,1,,0,,0,0,TOX28584,Nc1c(CC(=O)[O-])cccc1C(=O)c1ccccc1
1,0,0,0,1,0,0,0,0,0,0,0,TOX25103,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1575,CC(Cl)(Cl)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX6053,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
0,,0,,0,1,1,,1,0,,1,TOX1577,O=C(CCl)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1576,CC(=O)C(Cl)Cl
0,0,0,,1,1,0,1,0,0,1,,TOX2536,CC(C)(c1ccccc1)c1ccc(O)cc1
0,0,1,0,0,0,1,1,0,0,1,0,TOX28597,Cc1cc(O)c2c(O)c3c(O)cccc3cc2c1
0,0,0,0,1,1,0,0,0,0,0,0,TOX28595,Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1
0,0,0,0,0,0,,1,0,0,,0,TOX24635,C=Cc1ccc(S(=O)(=O)[O-])cc1
1,0,0,0,1,1,,,0,,0,1,TOX28593,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24633,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
0,0,0,0,1,0,0,,0,,0,0,TOX28591,CC(=O)OC(C)C(=O)OCC[N+](C)(C)C.CC(=O)OC(C)C(=O)OCC[N+](C)(C)C.O=S(=O)([O-])c1cccc2c(S(=O)(=O)[O-])cccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX24638,CCO[Si](C)(CCCOCC1CO1)OCC
0,0,0,,,,,,,,,,TOX24639,O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Cl
0,0,0,0,0,0,0,0,0,1,0,0,TOX1520,CCCCOCCOCCOCCO
,,,,,,,0,,0,,,TOX31685,CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-]
0,,,,0,0,0,0,0,,0,0,TOX28587,Cc1cccc(Cc2c[nH]cn2)c1C
0,0,,0,0,0,0,0,0,0,0,0,TOX1863,CCOC(=O)CC(=O)OCC
0,0,0,0,0,0,0,,0,,0,0,TOX28739,COc1ccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)cc1OC
0,1,,,0,,1,1,0,1,,1,TOX28738,COC(=O)C1=C(C)NC(COC(N)=O)=C(C(=O)OC(C)C)C1c1cccc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX28732,CCNC(=O)NCCCOc1cccc(CN2CCCCC2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28731,CC(=O)SCC(CC(=O)c1ccc(C)cc1)C(=O)O
0,0,0,0,0,0,0,1,0,,0,,TOX28730,CCOC(=O)Cn1cccc1-c1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
0,0,0,,0,0,,,0,0,,0,TOX28737,O=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX28736,CC(C)(C)NC[C@H](O)c1ccc(O)cc1Cl
0,0,0,0,0,0,0,1,0,0,0,0,TOX28735,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)c1ccccc1
0,0,,0,,0,0,0,0,0,0,0,TOX28734,CC(NN)c1ccccc1
,,0,,0,0,0,0,0,0,,0,TOX1860,O=Cc1ccc(Cl)cc1
0,,0,,,0,,,,,1,1,TOX27817,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
0,0,,0,0,0,0,0,0,0,0,0,TOX27816,CCN(CC)C(C)C(=O)c1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX27815,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5640,Cc1cccc(C(=O)O)c1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4810,Clc1ccccn1
0,0,0,0,0,0,0,0,0,1,0,0,TOX6241,CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2008,CCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2009,CCCCCCNCCCCCC
0,0,1,,,0,0,1,,1,1,,TOX5058,CCN(CC)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2004,ClCCCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2006,CCCCCCOC(C)=O
0,0,0,0,,0,0,0,0,0,0,0,TOX5055,CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX2001,CCOC(C)=O
1,1,0,0,0,0,0,0,0,0,0,0,TOX5050,NCCNCCN
0,0,0,0,0,0,0,0,0,0,,0,TOX5051,CCOP(=O)(CC)OCC
0,,0,1,,0,,,0,0,,1,TOX31,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX32,NC(=O)CCCCC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX39,CNC(=O)ON=CC(C)(C)SC
1,0,0,0,1,1,1,,0,,0,0,TOX38,C=CCOc1ccc(CC(=O)O)cc1Cl
0,0,1,,0,0,,1,0,,1,0,TOX704,NNc1nc(-c2ccc(N)cc2)cs1
0,0,,,0,0,0,0,0,0,0,0,TOX14456,Cc1ccccc1CO[C@H]1C[C@]2(C(C)C)CC[C@@]1(C)O2
1,0,,,,0,0,0,0,0,0,0,TOX708,NNc1ccc(C(=O)O)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX18924,CCCCCCOc1ccccc1C(=O)O
0,,1,,1,0,0,0,1,1,1,1,TOX2563,CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1
0,0,0,,0,0,,1,0,0,,0,TOX12431,CCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC
0,0,1,,0,0,0,1,0,0,,0,TOX12437,O=C(O)c1ccccc1C(=O)Nc1cccc2ccccc12
0,0,,0,,0,0,0,1,0,0,0,TOX22559,COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F
0,0,0,,1,1,,,0,,1,,TOX6655,CCOc1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25300,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX25271,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12129,CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
0,0,1,0,0,1,0,0,0,0,0,0,TOX830,COc1c2occc2cc2ccc(=O)oc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX833,COC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX834,COC(N)=O
1,0,1,,1,0,0,1,1,0,1,0,TOX838,Cc1cccc(/N=N/c2ccc(N(C)C)cc2)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX26076,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX26071,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX29098,CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)O
1,0,0,,1,1,0,,0,,0,0,TOX26078,CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C
0,0,0,,0,0,0,1,1,0,0,1,TOX4875,O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4873,Oc1nc(O)nc(O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3064,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
0,0,0,,,0,,0,0,0,,,TOX3067,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
1,1,0,,1,0,0,0,0,0,0,0,TOX3061,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
1,0,,,0,,0,0,0,0,0,0,TOX8956,CCCCCCCCCCCCCCCCCCOCC(O)CO
0,0,,,0,0,,,0,,,,TOX3068,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7528,CSCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7529,CC(C)(C)C(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7832,CCCCC(CC)COC(=O)Cl
0,0,0,,,0,0,1,0,,1,,TOX7527,BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX7520,COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7521,O=Cc1cccc(Br)c1
0,0,1,0,0,0,0,,0,0,1,0,TOX7522,CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7835,C/C=C/C=C/C(=O)[O-]
0,0,1,,,0,0,0,0,0,0,0,TOX14877,Cc1cc(C)nc(Nc2ccccc2)n1
0,0,,0,0,0,0,0,0,0,0,0,TOX14872,Nc1cnn(-c2ccccc2)c(=O)c1Cl
0,,1,0,0,0,0,0,0,0,,0,TOX14871,CCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl
0,0,0,0,1,0,1,,0,,1,0,TOX26257,S=C1SCN(Cc2ccccc2)CN1Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27651,CCCCCCCCC(=O)OCC
0,0,0,0,0,0,0,0,0,,0,0,TOX27655,CCCCCCCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX27654,CCCCCCCCCCCCCC(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27657,CCCCCCC(O)CCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27656,C=CCCCCCCCCO
0,,0,,,0,,,0,0,,,TOX27387,CC(=O)NC1(c2cccc(F)c2)CCN(CC[C@@]2(c3ccc(Cl)c(Cl)c3)CN(c3ccccc3)C(=O)CO2)CC1.O=C(O)CCC(=O)O
0,0,0,,,0,,,0,0,,,TOX27389,CCOC(=O)c1ccc([C@H]2CC[C@H](NC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26388,Nc1nc(N)c(-c2ccccc2)s1
0,0,,0,0,0,0,0,0,0,0,0,TOX26389,Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O
0,0,0,1,,0,,1,,,,,TOX13307,CCCCCCCCCCCCCCCC[n+]1ccccc1
,,,,,,,0,,0,,,TOX5390,CCCCCCCCCCCCCCCCN
0,0,,0,0,0,0,0,0,0,0,0,TOX26384,COc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1
,,,,,,,,,0,,,TOX26385,Cc1c(C)n(CCN(C)C)c2ccc(C(=O)OCCN(C)C)cc12
0,,0,,,0,,1,,1,1,,TOX26386,COc1cc(C=C2CCCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX26383,CNC(=O)NC(O)C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX27039,CCNC(=O)C1CC(C)CCC1C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27038,CCc1ccc(O)c(OC)c1
0,,,0,0,0,0,,0,0,0,0,TOX27035,CCCCCCC/C=C/C=O
0,0,0,,0,0,0,1,0,0,0,0,TOX27036,CN(C)C1CSSSC1
0,0,0,0,1,0,0,,0,0,,0,TOX27031,c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX27030,C[C@@H](O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27033,OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@@H]9[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27032,CC1=CC[C@@]23CC1C(C)(C)[C@@H]2CC[C@H]3C
0,0,0,0,,0,0,0,0,0,0,0,TOX27538,O=C(OCCCCCOC(=O)c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4674,CCCCOCCOCCSC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX2829,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
0,0,0,0,0,0,0,1,0,0,0,0,TOX2821,C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1
0,0,0,1,0,0,0,0,0,0,1,0,TOX1299,COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX1290,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
0,0,0,0,,0,0,0,0,0,0,0,TOX1291,O=S(=O)([O-])[O-].[Na+].[Na+]
0,,1,,,0,0,0,0,1,,0,TOX6018,COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1294,O=S1(=O)CC=CC1
0,0,0,1,0,0,0,1,0,0,0,0,TOX1296,CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5603,CNCCO
0,0,0,0,0,0,,,0,,0,0,TOX2922,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
0,0,1,1,,,0,1,0,0,1,1,TOX3296,CN(C)c1ccc2nc3ccc(N(C)C)cc3[s+]c2c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX5607,C=CCc1ccc(OC)c(OC)c1
0,0,0,,0,0,0,0,0,0,,0,TOX2926,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
0,0,0,0,0,0,0,,0,0,,0,TOX5604,CCOC(C)(C)C
0,0,0,1,0,0,0,,0,,0,0,TOX26923,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)C(C)(C)CCC1
0,0,0,0,0,0,0,,0,,0,0,TOX26924,COC(=O)CCC[N+](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26925,C[N+]1(CC2COC(c3ccccc3)(C3CCCCC3)O2)CCCCC1
0,0,0,,0,0,0,,0,,0,0,TOX26926,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX22234,CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0,,,,,0,,,,,,1,TOX25861,COc1ccc(C[C@H](N)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1
0,0,1,0,0,0,0,,0,,0,0,TOX25711,COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
0,0,0,,,0,0,0,0,0,0,0,TOX25864,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
0,0,0,0,,0,0,,0,,,0,TOX25865,CC(=O)Nc1ccc(OC(=O)c2ccccc2O)cc1
0,0,0,0,1,0,0,1,0,0,0,0,TOX25868,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1
,,,,,,,1,,1,,,TOX12374,O=c1sc2ccccc2c(O)c1C1CC(c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX7542,O=[N+]([O-])c1ccc(C=Cc2ccc([N+](=O)[O-])cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])c1
0,0,0,0,0,0,0,,0,,0,0,TOX25539,CCNC1(c2cccs2)CCCCC1=O
0,0,,,,0,0,0,0,0,0,0,TOX7543,CCN(O)CC
0,0,0,0,0,0,0,,0,,0,0,TOX28926,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1
0,0,0,0,0,0,,,0,,0,0,TOX28927,COc1cc(CC(C)N)c(OC)cc1Br
0,,1,,,,,,,,1,,TOX28922,CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2
0,0,0,0,0,0,0,,0,,0,0,TOX28921,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21
,,,,,,,,,0,,,TOX28928,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX28929,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
1,1,,,,0,0,,0,,0,0,TOX25535,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl
0,0,0,0,0,0,0,0,0,0,1,0,TOX3523,CC(C)c1cccc(C(C)C)c1O
0,0,0,0,0,0,0,,0,,0,0,TOX3526,CNC(C)CC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3529,Cc1c(C(C)C)c(=O)n(-c2ccccc2)n1C
0,0,0,0,1,0,0,0,0,0,0,0,TOX27003,[O-][Cl+3]([O-])([O-])[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX1036,CCN(C)N=O
0,0,0,0,0,0,0,0,0,0,,0,TOX1741,CCCCCO
0,0,0,0,1,1,0,0,0,0,0,0,TOX1030,O=NN(c1ccccc1)c1ccccc1
0,,0,,1,1,1,1,1,1,1,1,TOX1031,O=Nc1ccc(Nc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1032,CCCN(CCC)N=O
0,0,0,0,,0,0,0,0,0,0,0,TOX1039,O=NN1CCCCCCC1
0,0,0,,0,0,0,0,0,0,0,0,TOX2217,COc1cc(OC)c(OC)cc1C=O
0,0,0,0,0,0,0,0,0,0,,0,TOX2218,C=C(C)C(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24401,N=C(N)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24400,CCCC[N+](CCCC)(CCCC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3298,CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
0,0,0,0,,0,0,0,0,0,0,0,TOX24402,CC(=O)CC(=O)OC(C)(C)C
0,0,1,0,0,0,0,0,0,0,0,0,TOX24405,N=C(N)NN
0,0,0,0,0,0,0,,0,0,0,0,TOX24404,OCCSSCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24407,Cc1ccc(C(N)=O)cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX24409,ClCCCCCCCl
,,,1,,0,,,,,1,0,TOX3294,CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3295,C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
0,0,0,0,1,0,,0,0,0,,0,TOX12337,CCC(C)Nc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX25227,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24743,Nc1ccc2cc(S(=O)(=O)O)ccc2c1
0,1,1,,,,1,1,0,1,,1,TOX139,c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
0,0,1,1,0,0,0,1,1,0,1,0,TOX137,Nc1ccc(-c2ccc(N)cc2)cc1
0,0,,1,,0,,,,0,,,TOX12548,N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX131,[Ba+2]
0,0,0,0,0,0,0,0,0,0,,0,TOX135,c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX134,O=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5849,C=CCCC
0,0,0,0,,0,0,0,0,0,0,0,TOX21573,CCOC(=O)CP(=O)(OCC)OCC
0,0,0,0,0,0,0,,0,0,,0,TOX27868,CC(C)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21575,O=C(O)COCC(=O)O
0,0,1,,0,0,0,,0,,,0,TOX5840,Clc1ccc(C(Cl)(Cl)Cl)cc1Cl
0,0,,0,0,0,0,0,0,,,0,TOX5846,CCCCC
0,0,0,0,0,0,0,1,0,0,,0,TOX29385,N#CC(C#N)=C(C#N)C#N
0,0,0,0,0,0,0,,0,0,0,0,TOX29384,C1CCC2=NCCCN2CC1
0,0,0,0,0,0,1,0,0,0,0,0,TOX29387,O=C(O)c1c2ccccc2cc2ccccc12
0,0,,0,1,0,0,1,0,,0,0,TOX29386,O=C(CBr)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2666,C[N+](C)(C)CC(=O)[O-]
0,0,1,0,0,0,0,,0,0,0,0,TOX29380,Nc1nc(Cl)cc(Cl)n1
0,0,0,,0,0,0,0,0,0,,0,TOX29383,COc1ccc(C=O)cc1O
0,0,1,0,0,0,,0,0,0,0,0,TOX29388,O=c1[nH][nH]c2ccccc12
0,0,0,0,0,0,0,,0,0,0,0,TOX12591,CC1(C)C(=O)N(Cl)C(=O)N1Br
0,0,0,0,0,0,,1,0,0,1,,TOX26768,O=C1C(I)=CC(=C(c2cc(I)c([O-])c(I)c2)c2ccccc2C(=O)[O-])C=C1I
0,,0,0,0,0,1,1,0,0,1,0,TOX3569,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5593,CNC(=O)N(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,1,0,,,,TOX5590,CC1CCCC1
0,0,1,0,0,0,0,0,0,0,0,0,TOX28844,C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
0,,0,,,1,1,,1,1,,1,TOX5599,N#CSCSC#N
0,0,0,0,,0,,0,0,0,0,0,TOX10189,Nc1ccccc1-c1ccccc1
0,0,,,1,0,0,0,0,0,0,0,TOX17741,Cc1ccc(C(=O)c2ccccc2)cc1
0,,,,,,,,,,1,,TOX14997,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
0,0,0,,0,0,0,0,0,0,1,0,TOX1311,CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
0,0,0,0,0,0,0,,0,,0,0,TOX3567,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
0,0,0,0,,0,,,0,,,0,TOX28843,CC[C@@H](O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
0,,0,0,0,0,0,0,0,0,0,0,TOX6824,CCCCS
0,0,0,0,0,0,,0,0,0,,0,TOX28842,CC[C@H](O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX25221,Brc1c(NC2=NCCN2)ccc2nccnc12
1,1,0,0,1,1,0,1,0,0,0,0,TOX14192,C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
0,0,0,0,0,0,0,,0,,0,0,TOX26713,C[S+](C)CCC(N)C(=O)O
0,0,0,0,1,0,0,,0,,0,0,TOX26712,NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX26243,Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26245,CCCCCCOC(=O)c1cccnc1
,,0,0,0,0,0,,0,,,0,TOX26716,COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26247,C/C(=N\Cc1ccccc1)c1ccccc1O
0,0,,0,0,0,0,,0,,0,0,TOX26246,CCCC(C)(COC(N)=O)COC(=O)NC1CC1
0,0,1,,0,0,0,,0,,0,1,TOX26249,CN1C(=O)CN2CCc3ccccc3C2c2cc(Cl)ccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX1359,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX22007,CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX22006,CCCCCCCC(=O)OCC(O)CO
0,0,0,0,1,0,0,0,0,0,0,0,TOX1358,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7997,C=CCN(CC=C)C(=O)C(Cl)Cl
0,0,0,0,0,0,0,1,0,0,0,0,TOX7991,CCCCCCCCCCCCCCCCO
0,0,0,0,,0,0,0,0,0,0,0,TOX575,C=CCc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX4183,C=CC(=O)OC
0,0,0,,,0,,1,0,0,1,,TOX10695,O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21
0,0,0,0,0,0,0,0,0,,0,0,TOX4077,C1CSCCS1
0,0,0,0,1,0,0,1,0,0,0,0,TOX10698,OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
0,0,0,,0,0,0,0,,0,0,,TOX10432,Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
,,,,,,,0,,0,,,TOX31528,COC(=O)c1ccc(NC(C)=O)cc1OC
,,,,,,,0,,0,,,TOX31529,COC(=O)c1cc(Cl)c(NC(C)=O)cc1OC
,,,,,,,0,,0,,,TOX31520,Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
,,,,,,,0,,0,,,TOX31521,CCOC(=O)c1ccc(O)c(O)c1
,,,,,,,0,,0,,,TOX31522,OC1(c2ccc(Cl)cc2)CCNCC1
,,,,,,,1,,0,,,TOX31523,Clc1ccccc1N1CCNCC1
,,,,,,,0,,0,,,TOX31524,O=C(c1ccco1)N1CCNCC1
,,,,,,,0,,0,,,TOX31525,CC(=O)c1ccc(O)c(C(N)=O)c1
,,,,,,,0,,0,,,TOX31526,CCCC(=O)Nc1ccc(O)c(C(C)=O)c1
,,,,,,,0,,0,,,TOX31527,OC1(c2ccccc2)CCNCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX20719,CC(=O)CC(=O)Nc1ccc(C)cc1C
0,0,1,0,0,0,0,,0,0,0,0,TOX20718,COc1cc(Cl)c(OC)cc1N
0,0,0,,0,0,0,0,0,0,0,0,TOX20711,CCOC(=O)c1ccccc1C
0,0,0,0,0,0,0,0,0,0,,0,TOX20710,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C
0,,,,,,,,0,,,1,TOX20713,CCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
0,1,0,,,1,1,,1,1,1,1,TOX20712,CC[Sn](Br)(CC)CC
0,,0,0,,0,0,,0,1,,1,TOX20715,C=CC(=O)OCCOc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20714,Cc1cc(C)c(N)c(Cl)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX20716,CCC(C)(C)C1CCC(O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24878,CCCOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24879,CCC(CO)(CO)COCC(CC)(CO)CO
0,1,,,0,0,,1,1,0,,1,TOX24658,N=C1NC(=N)c2ccccc21
0,0,0,,0,0,0,0,0,0,0,0,TOX24870,C=C(C)C(=O)OCCCCOC(=O)C(=C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24655,CCCCCCCCCCCC(=O)N(CC)CC
0,0,0,0,0,0,0,0,0,0,,0,TOX24656,N#CCCOCCOCCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX24873,C=CC(=O)OCCCCCCCCCC
0,0,,0,0,0,0,0,0,0,0,0,TOX24650,Cc1ccc(N(CCO)CCO)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24875,CN(C)CCN(C)CCO
0,0,0,,0,0,0,1,0,,0,,TOX24876,C(COCC1CO1)OCC1CO1
0,0,0,0,0,0,0,,0,1,,0,TOX6139,S=C(Nc1ccccc1)Nc1ccccc1
0,0,1,0,,0,0,0,0,0,0,,TOX28711,O=C(N[C@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX28710,CCOC(=O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(-c4cccc(CC(=O)OCC)c4)c3)ccc2O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX28713,CCc1cc(S(=O)(=O)[O-])c2cc(C(C)C)cccc1-2
0,0,1,0,,0,0,,1,0,1,,TOX28712,O=C(N[C@@H]1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28715,CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28714,O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,,TOX28717,Nc1ccn(C2CO[C@H](CO)O2)c(=O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28716,CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1
0,,0,,,,,1,1,1,1,1,TOX27831,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27832,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
0,0,1,0,0,0,0,0,0,0,0,0,TOX6228,CCOP(=O)(OCC)OCC
0,0,,0,0,0,0,0,0,0,,0,TOX2027,Nc1ccc(F)cc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX2020,CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O
0,0,,,,0,0,0,0,0,,0,TOX6220,CCOc1cc(OCC)c(C(C)=O)cc1OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6223,CC(=O)OCCOCCOCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9904,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX6132,Cn1cnc2c1c(=O)[nH]c(=O)n2C
1,,1,,0,,,,0,,,1,TOX5035,CCN(CC)c1ccc2c(C)cc(=O)oc2c1
0,0,1,0,1,0,0,1,0,0,1,0,TOX1135,Oc1ccc2ccccc2c1/N=N/c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1134,NC(=S)Nc1ccccc1
0,,1,1,1,,,,0,,1,1,TOX4457,Nc1c2ccccc2nc2ccccc12
0,0,0,0,0,0,0,,0,,0,0,TOX3701,CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1
0,0,0,,0,0,,1,0,0,0,0,TOX17515,CNP(=O)(OC)Oc1ccc(C(C)(C)C)cc1Cl
0,0,0,0,0,0,,0,0,0,0,0,TOX15,CC(=O)NNc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14,CC(=O)C1C(=O)C=C(C)OC1=O
0,0,0,0,1,1,0,1,0,1,1,1,TOX2382,C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX728,NNCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX18762,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX721,CCOc1ccc(NC(=O)CC(C)O)cc1
0,0,0,,1,0,0,0,0,0,0,0,TOX12459,CCOP(=S)(OCC)SCSCC
0,0,0,0,0,0,0,,0,0,0,0,TOX5100,C=CC(=O)OCCN(C)C
0,,1,,1,,,,1,,1,1,TOX4458,Nc1ccc2cc3ccccc3cc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX25292,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1
0,,0,0,,0,,,0,,0,,TOX25291,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O
,,,,,,,0,,0,,,TOX25297,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5102,CN(C)CCCN
0,0,1,0,0,0,0,0,0,0,0,0,TOX7175,O=C1CCCc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX7174,OC1CCCc2ccccc21
0,0,1,,1,0,,1,0,0,,0,TOX4934,c1ccc(N=NNc2ccccc2)cc1
0,,1,,0,0,,1,1,0,,,TOX12600,O=C(O)C1(C(=O)Nc2ccc(Cl)cc2Cl)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX7178,COC(C)OC
0,0,0,0,,0,0,0,0,0,1,0,TOX589,CCc1ccc(C(c2ccc(CC)cc2)C(Cl)Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX859,CC(O)c1ccccc1
0,0,1,,1,0,0,0,1,0,0,0,TOX3881,Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1
0,0,0,0,,0,0,0,0,0,0,0,TOX580,CCOc1ccc(NC(N)=O)cc1
0,0,,0,0,0,0,0,0,1,0,0,TOX581,CCOc1ccccc1C(N)=O
0,0,1,0,0,0,1,,0,,0,0,TOX582,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2
0,0,0,0,0,0,0,0,0,0,0,0,TOX856,CN1CCCC1=O
0,0,1,,0,0,0,0,0,0,1,0,TOX3889,CCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
0,0,1,0,1,0,0,0,0,0,0,0,TOX855,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1
0,0,1,0,0,0,,,0,0,0,0,TOX4855,COc1cc(N)ccc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1828,CC(=O)c1ccccc1
0,0,0,,,0,0,,0,1,1,1,TOX1824,Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
0,0,,,0,0,0,,0,0,1,0,TOX1823,Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX1822,CC(C)N(CCO)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1821,CCC(C)=NO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1820,CCC(=O)CC
0,0,0,0,,0,0,,0,,0,0,TOX3085,CCCCc1ccc(C(=O)O)nc1
0,0,0,0,0,0,0,,0,,0,0,TOX28528,C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX8974,CCCC(C)CC
0,0,0,0,0,0,0,,0,0,,0,TOX12406,CCOP(=O)([O-])C(N)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX7506,O=C(Cl)c1cc(Cl)cc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7507,COC(=O)c1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7502,Cc1cc(=O)nc(C(C)C)[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7503,CC1(C)CC(N)CC(C)(CN)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7500,CCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7509,COC(=O)CCS
0,0,0,1,1,0,0,,0,0,0,0,TOX14855,CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
0,0,1,,0,0,,1,0,0,,1,TOX26019,OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)[C@H](O)[C@@H]1O
0,0,0,,0,0,0,0,0,0,0,0,TOX26015,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N
0,0,,0,0,0,0,0,0,0,0,0,TOX26016,N=C(N)NN.N=C(N)NN
0,0,0,0,,0,0,1,0,0,,0,TOX26017,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25673,CC[C@H](NC(C)C)[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12
0,0,0,0,0,0,,,0,,0,,TOX26013,OC[C@H]1OC(S[Au])[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,,0,0,0,0,TOX27639,CCCCCCC#CC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27637,CCCCCC/C=C/C(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27636,CCCCCCCC(=O)OCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27633,CCCCCCCC/C=C\CCCCCCCC(=O)OCC
0,0,0,0,0,0,0,,0,0,0,0,TOX27631,C/C=C/C=C/CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX25674,CCN(CC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25677,CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
0,,0,0,0,0,0,0,0,0,0,0,TOX1644,O=C(O)CCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29320,CCCN1C=CN(C)C1
0,0,1,0,1,,0,1,0,0,0,0,TOX21743,Cc1ccccc1/N=N/c1ccc(/N=N/c2c(O)ccc3ccccc23)c(C)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX29314,CCCCCCCCCCCCCBr
0,0,0,1,,0,0,,0,,,,TOX2843,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24670,Clc1cccc(Cl)c1N=C1NCCN1
0,0,0,0,0,0,0,,0,,0,0,TOX2847,CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
0,0,1,0,1,0,0,1,0,0,0,0,TOX922,Nc1ccc2ccccc2c1S(=O)(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX281,O=[N+]([O-])c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9755,CCCCOC(O)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6031,CCCCCCCCCCCCOS(=O)(=O)[O-]
0,0,0,,0,0,0,0,0,0,,0,TOX20360,CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
0,0,,,,0,,1,0,0,1,0,TOX20363,CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1
0,0,,0,,0,0,0,0,0,0,0,TOX5629,Cc1cc([N+](=O)[O-])ccc1N
1,1,,,0,0,0,0,0,0,1,0,TOX2904,CCCCC(=O)O[C@]1(C(=O)CO)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
1,1,0,,0,0,0,0,0,0,0,0,TOX2901,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27413,C/C=C(\C)C(=O)OC/C=C(\C)CCC=C(C)C
0,0,0,,0,0,0,,0,,0,0,TOX26909,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1
0,0,,0,1,1,0,,0,,0,0,TOX26906,CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26904,CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1
0,0,0,0,0,0,,,,,0,0,TOX26902,COC(CNC(=O)c1ccccc1OCC(=O)O)C[Hg]O
0,0,0,,1,0,0,0,0,0,0,0,TOX27411,O=C(C=Cc1ccccc1)OCCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27142,CC1=C(C=O)C(C)(C)CCC1
0,0,0,,0,0,0,0,0,0,0,0,TOX22218,CCCCCOC(=O)CCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX22219,CCCc1ccccc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX27145,CC(C)=CC(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX22215,CCCCCCCCC(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22210,CN1CCCC1
1,,0,,,0,0,1,0,0,,,TOX13314,N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25847,CC(=O)Nc1cc([As](=O)(O)O)ccc1O
,,,,,,,0,,0,,,TOX25845,CCCCCC(C)N.CCCCCC(C)N
0,0,,0,0,0,0,0,0,0,0,0,TOX25843,OCc1ccccc1O
0,0,0,,0,0,0,1,0,,0,,TOX27414,CC=CC=CCOC(=O)C(C)C
0,,1,1,,,,,,0,1,1,TOX25848,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Nc1ccc2cc3ccc(N)cc3nc2c1
0,0,1,,0,0,0,,,0,1,0,TOX20502,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14229,CCCCCC1CCC(=O)O1
0,0,0,0,0,,0,0,0,0,0,0,TOX27418,CC/C=C\CCOC(C)OCC
0,0,1,0,0,0,0,0,0,0,0,0,TOX28948,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N
0,0,0,0,0,0,0,1,0,0,0,0,TOX28944,COC(=O)C(Cl)C(=O)OC
0,0,0,,0,0,0,,0,,0,0,TOX28946,NCCC[C@H](N)C(=O)O
0,,1,,,0,,,,1,,,TOX3371,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-]
0,0,1,,,0,,,,0,,,TOX28941,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX28943,CC(N)Cc1ccc2c(c1)OCO2
0,0,1,1,1,,0,1,0,1,1,0,TOX4687,CC(C)(C)c1ccc(O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4681,CC(C)(C)N
0,0,1,0,1,1,0,,,0,1,0,TOX7345,c1ccc(B(c2ccccc2)c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX18686,Cc1cccc(C(=O)O)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7341,NCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7342,[S-]c1ccccc1
,,,,,,,0,,0,,,TOX3505,CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4538,O=C1c2c(O)cccc2Cc2cccc(O)c21
0,0,1,0,1,0,0,0,0,0,0,0,TOX4532,COc1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2279,CC(C)c1cccc(C(C)C)c1N
0,0,0,0,0,0,0,,0,0,,0,TOX24466,O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O
0,0,,0,0,0,0,0,0,0,,0,TOX24465,Nc1ccc(S(=O)(=O)O)c(N)c1
0,0,0,0,0,0,0,,0,,0,0,TOX21104,O=C(O)C1CCCN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17757,C=CCCCCCCCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24462,CCO[Si](OCC)(OCC)c1ccccc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX17754,C=CCOc1nc(OCC=C)nc(OCC=C)n1
0,0,0,0,0,0,0,,0,0,0,0,TOX25598,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX25595,CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25597,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX25590,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21
0,0,0,0,1,0,0,0,0,0,0,0,TOX25591,CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX445,CC(C)OC(=O)COc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX444,CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl
0,0,1,0,1,,0,0,0,0,1,0,TOX447,O=S(=O)(Oc1ccc(Cl)cc1Cl)c1ccccc1
0,0,1,0,0,0,0,0,0,0,1,0,TOX446,CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
0,0,0,0,0,0,0,,0,0,,0,TOX441,CC(Oc1cc(Cl)ccc1Cl)C(=O)O
0,0,0,,0,0,0,0,0,0,0,0,TOX440,CC(Oc1ccc(Cl)cc1Cl)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX443,CCCCOC(=O)COc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX442,O=C(O)COc1ccc(Cl)cc1Cl
0,0,1,,0,0,0,1,0,0,,1,TOX119,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
1,0,0,0,0,0,0,0,0,0,0,0,TOX118,[N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O
0,0,0,0,0,0,0,1,0,0,0,0,TOX449,COP(=O)(OC)OC=C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX448,CC(Cl)CCl
,,,,,,,,,0,,,TOX23850,ClCCN1CCCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX13447,CC(C)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX29300,CCn1cc[n+](C)c1
1,0,,,,0,0,,,,,0,TOX25905,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
0,,,1,0,0,0,,0,1,,,TOX25452,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
0,0,,0,,0,0,1,0,0,,0,TOX5825,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
0,0,0,0,0,0,0,,0,0,0,0,TOX5824,Cl[Pd]Cl
0,0,0,0,,0,0,,0,0,0,0,TOX28150,Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)N3CCC(N4CCCCC4)CC3)c3ccccc32)cc1.Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)N3CCC(N4CCCCC4)CC3)c3ccccc32)cc1
0,,0,,1,,0,1,0,1,1,,TOX9282,CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
0,,0,1,,0,,,,,1,,TOX22459,CCCCCCCCCCCCCC[n+]1ccccc1
0,0,0,0,0,0,0,,0,,,0,TOX25330,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX22451,Clc1sc(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,,0,,,0,TOX25332,OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX4993,O=c1[nH]c(=O)n(Cl)c(=O)n1Cl
0,0,0,0,1,0,0,0,0,0,0,0,TOX4994,O=c1[n-]c(=O)n(Cl)c(=O)n1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4997,O=[N+]([O-])c1cccc(Cl)c1Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX4998,O=[N+]([O-])c1ccc(Cl)cc1Cl
0,0,1,0,0,0,0,0,0,0,0,0,TOX4999,O=[N+]([O-])c1ccc(Cl)c(Cl)c1
,,,,,,,,,0,,,TOX16489,C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21
0,,,0,0,0,1,1,0,,,0,TOX26738,O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21
0,0,0,0,0,0,0,,0,,0,0,TOX26733,CCN(CC)CCOC(=O)c1cccnc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX26732,O=S(=O)([O-])CCCS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX26734,Nc1c2c(nc3c1CCC3)CCCC2
0,,0,0,,0,0,,0,1,1,1,TOX26227,O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O
0,0,,,0,0,0,1,0,0,,0,TOX26226,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
1,0,1,,1,,0,,1,,1,0,TOX26223,CCOc1ccc(N=Nc2ccc(N)cc2N)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX26222,c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26229,CC(=O)Nc1ccc(OCCOCCOc2ccc(NC(C)=O)cc2)cc1
0,,,0,0,0,0,,0,,,0,TOX26228,O=C1c2ccccc2C(=O)C1c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX4337,CCN(CC)C(=O)SCc1ccc(Cl)cc1
0,0,0,1,0,0,,0,0,0,0,,TOX4331,[TlH2+]
0,,0,,1,1,0,1,0,0,1,0,TOX2445,Oc1ccc(Cc2ccc(O)cc2)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX4338,COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5326,[Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
0,0,,0,0,0,0,0,0,0,,0,TOX7978,CC(C)(C)c1cc(CCC(=O)NN)cc(C(C)(C)C)c1O
0,0,0,0,,0,0,0,0,0,0,0,TOX7975,C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX7974,CC(=O)OC1CCC(C(C)(C)C)CC1
0,0,0,0,1,0,0,,0,0,,0,TOX7970,CC(C)(O)CCCC1=CCC(C=O)CC1
0,0,1,0,0,1,0,1,1,0,0,0,TOX511,Cc1cc(-c2ccc(N)c(C)c2)ccc1N
0,0,0,1,0,0,1,1,0,0,0,0,TOX4052,CC1=C(C)S(=O)(=O)CCS1(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4055,COS(=O)(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7163,CNC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27178,CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX27179,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27173,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
0,0,1,,0,0,0,0,0,1,0,0,TOX27174,CCCCOCCOC(=O)c1ccccc1C(=O)OCCOCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27176,C1=CCC(c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9289,CCC12COCN1COC2
,,,,,,,0,,0,,,TOX31507,COC(=O)c1cc(S(N)(=O)=O)ccc1OC
,,,,,,,,,0,,,TOX31504,CC1COC2(c3ccccc3Cl)c3cc(Cl)ccc3NC(=O)CN12
,,,,,,,0,,0,,,TOX31505,CCCCC(CC)CNC(=O)CC(C)OC(=O)CCC(=O)O
,,,,,,,0,,0,,,TOX31502,COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1
,,,,,,,1,,0,,,TOX31503,O=C1Nc2cc(Cl)ccc2Oc2ccccc21
,,,,,,,0,,0,,,TOX31500,Nc1c(I)cc(I)c(C(=O)N(CCC(=O)O)c2ccccc2)c1I
,,,,,,,0,,0,,,TOX31501,CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
0,0,,0,,0,0,0,0,0,,0,TOX20776,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
0,0,0,0,1,1,0,,0,,1,1,TOX20770,CCC(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,0,,0,,,,0,0,0,TOX28553,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
0,0,0,0,0,0,0,,0,,0,0,TOX28552,CCCCOC(=O)C(=O)Nc1cccc(-c2nnn[nH]2)c1
0,0,0,0,0,0,0,,0,,0,0,TOX28550,O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Zn+2]
0,0,0,0,0,0,0,0,0,0,0,0,TOX28885,CC(=O)NC(CCC(N)=O)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX28556,CCC(CN)CC(C)CCNCC(O)CNCC(C)CC(CC)CN
0,0,0,0,0,0,0,0,0,0,0,0,TOX24858,c1ccc(-c2nnn[nH]2)cc1
0,0,1,0,,0,0,1,0,0,,,TOX21827,O=C(Nc1ccc(Cl)c(Cl)c1)C1CC1
1,1,0,,1,0,0,,0,,0,0,TOX28889,OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,,0,,0,0,TOX28559,COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC
0,0,,0,0,0,0,0,0,0,0,0,TOX24679,CCCCCCCCP(=O)(O)O
0,0,,1,0,0,0,0,0,0,0,0,TOX24852,c1cc(CCCc2ccncc2)ccn1
0,,0,,0,0,1,,0,,,,TOX24851,C=CC(=O)OCC(O)COc1ccccc1
,,,,,,,1,,0,,,TOX31641,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCCC1
,,,,,,,,,0,,,TOX31643,Clc1ccc2c(c1)Nc1ccccc1S2
,,,,,,,0,,0,,,TOX31642,Cc1c(F)cc2c(=O)c(C(=O)O)cn3c2c1CCC3C
,,,,,,,0,,0,,,TOX31645,COCCOCC(OC)OC
,,,,,,,0,,0,,,TOX31644,c1ccc(N2CCNCC2)cc1
,,,,,,,1,,0,,,TOX31646,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28777,CN(C)C(=O)CNC(=O)Cc1ccccc1
0,0,0,,,0,0,0,0,0,0,0,TOX28776,CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
0,0,0,0,,0,0,1,0,0,0,0,TOX28774,CC(=O)O[C@@H]1C(=O)O[C@H]2[C@@H](OC(C)=O)C(=O)O[C@@H]12
0,0,0,,0,0,0,0,0,0,0,0,TOX28773,N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@H]4F)c3c2Cl)CC12CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX28770,CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
0,0,0,0,1,0,0,0,0,0,,0,TOX28779,C=CCOc1cc(Cl)ccc1C(=O)NCCN(CC)CC
1,0,,,0,0,0,0,1,0,0,0,TOX28778,Cc1ccc2c(n1)Oc1ccc(C(C)C(=O)OCC(=O)N(C)C)cc1C2
0,0,0,,0,,0,1,0,0,0,0,TOX6202,O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,1,0,0,0,0,TOX6203,O=[N+]([O-])c1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX9250,C=CC1CC2C=CC1C2
0,0,,0,0,,0,,0,0,1,,TOX6207,Oc1ccc(Cl)c(Cl)c1Cl
0,0,,,0,0,0,0,0,0,0,0,TOX6204,O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl
0,0,0,,0,0,0,,0,0,0,,TOX6205,O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1
0,0,1,0,,0,,1,0,0,1,,TOX6208,Oc1cc(Cl)cc(Cl)c1Cl
0,0,0,0,0,0,0,1,0,0,1,0,TOX6209,Oc1c(Cl)ccc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX5012,C=C(Cl)CCl
0,,0,,0,0,1,0,0,0,,0,TOX5013,Clc1nc2ccccc2nc1Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX2043,O=C(O)c1cccc(C(=O)O)n1
0,0,0,,1,1,0,0,0,0,1,0,TOX5017,CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5014,ClC(Cl)c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX2047,CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1
0,0,1,,1,,0,1,1,0,,0,TOX2048,O=c1cc(-c2ccccc2)oc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX2049,Cc1cc(C)c(O)c(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5018,C1CCC(NC2CCCCC2)CC1
0,,0,0,0,0,0,1,0,0,0,0,TOX24509,O=C(O)c1nc(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX25101,C[N+]1([O-])[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25107,O=C(O)CP(=O)(O)O
0,0,0,0,0,0,0,0,0,0,,,TOX25105,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
0,0,0,,0,0,,,0,,,0,TOX25109,CNCCC=C1c2ccccc2CCc2ccccc21
0,0,0,0,,0,0,,0,,0,0,TOX25108,Cc1cc(C(=O)O)c(C)n1-c1cccc(C(=O)O)c1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
0,0,0,0,0,0,0,0,0,0,0,0,TOX79,O=C([O-])CC(O)(CC(=O)O)C(=O)[O-]
0,0,1,,1,0,0,1,0,0,0,0,TOX72,Nc1ccc(-c2ccccc2)cc1
,,,,,,,0,,0,,,TOX70,NCCCCCC(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX76,Nc1nc[nH]n1
0,0,,,,0,0,0,0,0,1,0,TOX12474,CC1CCCCC1NC(=O)Nc1ccccc1
0,0,1,0,0,0,0,0,0,0,,0,TOX12470,CCNP(=S)(OC)O/C(C)=C/C(=O)OC(C)C
0,,0,0,0,0,0,,0,1,0,0,TOX22592,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=S)[nH]c3ccccc3c2=O)CC1
0,,0,0,,0,0,1,0,0,0,0,TOX22594,Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
0,0,1,,0,0,,1,,0,0,,TOX876,Cc1cc(O)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX877,Cc1cccc2ccccc12
0,,0,,,,,,,1,1,,TOX870,Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7159,O=C1CCCCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7158,O=C(Cl)OCc1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX878,Cc1ccc2ccccc2c1
0,0,1,1,0,0,0,,0,,0,,TOX3319,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
1,0,0,,1,0,0,,0,,0,0,TOX3316,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3314,CC(C)(C(=O)c1cccnc1)c1cccnc1
0,0,0,0,0,0,0,1,0,0,,0,TOX3313,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4573,c1ccc2[nH]cnc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1808,Cc1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1801,CCN(CCO)c1cccc(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1800,CCN(CC)c1ccccc1
0,0,0,0,1,0,,0,0,0,0,0,TOX1803,CC(=O)CC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX1802,C1CCC(C2CCCCC2)CC1
0,0,1,,1,0,0,1,1,0,,0,TOX1805,O=C(/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4836,CC(C)=CCCC(C)=CC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4835,O=CC=Cc1ccccc1
1,1,0,0,0,0,0,0,0,0,0,0,TOX4834,O=C/C=C/c1ccccc1
0,0,,0,0,0,0,,0,0,,0,TOX13876,BrCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27665,CC(C)SCc1ccco1
0,0,0,0,,0,0,0,0,0,0,0,TOX306,ClC(Cl)Cl
0,0,0,0,1,0,0,0,0,0,0,0,TOX7561,COC(=O)CCSCCC(=O)OC
,0,0,0,0,0,0,0,0,0,1,0,TOX7565,CC(=O)O[Si](C)(OC(C)=O)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX300,ClC(Br)Br
0,0,0,0,0,,,,0,0,,,TOX26030,C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O
1,1,0,0,,0,0,,0,,0,0,TOX26036,CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,1,1,0,0,0,0,0,0,TOX26034,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26038,C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2
0,0,0,,,0,0,,0,0,,,TOX27342,COc1cccc(-c2ccc(/C=C\CN3CCCCCC3)cc2Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27617,COc1cc(C)ccc1C(C)C
0,0,0,,0,0,0,0,0,0,0,0,TOX27611,CCCC1CCC(=O)O1
0,0,0,0,1,0,0,0,0,0,,0,TOX27610,O=CCCc1ccccc1
0,0,0,0,,0,0,0,0,0,0,0,TOX27344,CC(C)c1ccc(C(=O)N=C(N)N)cc1S(C)(=O)=O
0,0,0,,,0,,,0,0,,0,TOX27348,O=C(N[C@@H](c1ccccc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX28506,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX21815,CC1CC(O)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6783,NC(=O)NC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6781,CC(C)CC(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6789,CC1COC(=O)O1
0,0,0,,1,0,0,,0,0,0,0,TOX26698,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2
,,,,,,,,,0,,,TOX26692,Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26693,COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC
0,0,0,,,0,0,,0,0,1,,TOX26690,CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1
0,0,0,1,0,0,0,,0,,,,TOX26691,CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24854,C=COCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX666,OCC1CO1
0,0,0,0,1,0,0,0,0,0,0,0,TOX20694,CCCCOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX20697,Cc1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX20691,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20693,CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
0,0,0,,0,0,0,0,0,0,,0,TOX20698,CC(C)COP(=O)(OCC(C)C)OCC(C)C
,,,,,,,0,,0,,,TOX26966,N=C(N)NCCN1CCCCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22276,CCOc1ccccc1O
0,0,0,,0,0,0,,0,0,1,,TOX22273,CC(C)c1ccc(O)c(C(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22279,CC(C)C(=O)OCCOc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,1,TOX20526,C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O
0,0,,,0,,0,,0,,1,1,TOX20525,O=C1c2ccccc2-c2n[nH]c3cccc1c23
0,0,0,0,0,0,0,0,0,0,0,0,TOX1807,Cc1ccccc1C
0,0,,0,0,0,,0,0,0,,0,TOX28963,c1ccc(C(O[C@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1
,,,,,,,0,,0,,,TOX28960,OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
0,0,,0,0,0,1,,0,0,,0,TOX28961,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28966,C[C@@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1
0,0,,0,0,0,0,0,0,0,0,0,TOX28967,CC(C)OC(=O)c1cc2c(OCC(O)CNC(C)(C)C)cccc2[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24999,CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24998,FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1
0,0,0,0,,0,0,1,0,0,,0,TOX24997,CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
0,1,,0,0,0,,0,0,1,,1,TOX24995,CCn1c2ccccc2c2cc([N+](=O)[O-])ccc21
0,0,0,0,1,,0,0,0,0,,0,TOX24993,CC(C)(C1CCC(O)CC1)C1CCC(O)CC1
0,,0,,0,0,,1,0,,1,,TOX24992,CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX24990,C=C(C)C(=O)OC1CC(C)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1254,C=CCc1ccc2c(c1)OCO2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1256,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1251,O=C1NS(=O)(=O)c2ccccc21
0,0,0,0,1,0,0,0,0,0,0,0,TOX1253,O=C1[N-]S(=O)(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX7367,C=CCCCCCCCCCCCC
0,0,,0,0,0,0,,0,,0,0,TOX2789,CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7360,NC(=O)[O-]
,,,,,,,,,1,,,TOX2783,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1
,,,,,,,,,0,,,TOX2780,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
0,0,0,0,0,0,0,1,0,0,0,0,TOX7368,O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O
0,0,0,,,0,0,0,0,0,,0,TOX24196,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1
0,,1,,,,,1,0,,1,,TOX1784,O=C(Nc1ccccc1)c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1780,CCOC(=O)c1ccccc1C(=O)OCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX1781,CCCCOC(=O)c1ccccc1C(=O)OCCCC
0,,,,,,,,0,0,,1,TOX1788,O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
0,,1,,1,0,,1,1,0,1,0,TOX4559,Nc1ccc(/N=N\c2ccccc2)c(N)c1
0,0,1,0,0,0,0,0,0,,0,,TOX1070,c1ccc2c(c1)[nH]c1cnccc12
1,1,0,,1,1,,,,,0,0,TOX1071,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
,,,,,,,0,,0,,,TOX1072,O=C(OOC(=O)c1ccccc1)c1ccccc1
0,0,1,,1,0,0,1,0,0,1,0,TOX4555,[O-][N+](=Nc1ccccc1)c1ccccc1
0,0,0,0,0,0,,,0,,0,0,TOX25822,CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(=O)(=O)[O-])NC1=O)[C@@H](C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX683,ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX682,Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX680,C1CCCNCCC1
0,0,0,0,0,0,0,1,0,0,0,0,TOX7094,CCCCC(CC)COC(=O)/C=C\C(=O)OCC(CC)CCCC
0,0,0,,0,0,0,0,0,0,,0,TOX686,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7096,CC(C)(O)C#CC(C)(C)O
0,0,0,0,1,,0,0,0,0,0,0,TOX7097,CC(=O)[O-].CC(=O)[O-].[Mg+2]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7098,O=C(O)CNCC(=O)O
0,0,0,0,0,0,0,,0,0,,0,TOX7099,CCCCCCCC/C=C\CCCCCCCC(=O)OCCCC
,,,0,0,0,0,0,0,0,0,0,TOX689,ClC(Cl)(Cl)C(Cl)(Cl)Cl
0,0,0,1,0,0,,,,1,,,TOX688,ClC1=C(Cl)C(Cl)(Cl)C(Cl)=C1Cl
0,0,0,0,,0,0,0,0,0,,0,TOX26123,CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1
0,0,0,0,,0,0,0,0,0,0,0,TOX24448,C=CCCC(=O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX3786,CN=C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21125,[Na]I
0,0,0,0,0,0,0,0,0,0,0,0,TOX4600,C[N+](C)(C)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24447,COc1cccc(C=O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24446,C[N+](C)(C)CC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24441,Cc1ccccc1CCl
0,0,0,,0,0,0,0,0,0,1,0,TOX24440,CCC(C)c1cccc(C(C)CC)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24443,CCCC[N+](C)(CCCC)CCCC
0,0,0,0,0,0,0,,0,0,0,0,TOX29358,CN1[C@H]2CC[C@@H]1C[C@H](O)C2
0,0,0,,1,,0,0,0,0,,0,TOX29359,O=C1c2ccccc2CCc2ccccc21
0,0,0,0,0,0,0,,0,0,,0,TOX26128,N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29354,BrCCCCCBr
0,0,0,0,1,0,0,0,0,0,0,0,TOX14087,NCCc1ccc(O)cc1
0,0,0,0,,0,0,,0,0,0,0,TOX13469,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
0,,0,,,0,,,,,1,,TOX13468,CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX23873,NCC(O)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX468,O=CNNC=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX466,CCNC(=S)NCC
0,0,0,,1,1,0,1,0,1,1,1,TOX465,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX464,CCOC(=O)/C=C\C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX463,CCN(C=O)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX462,OCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6418,CC(C)(C)S
0,0,0,,1,1,0,0,1,1,,0,TOX2526,O=C(OCc1ccccc1)c1ccc(O)cc1
0,0,0,,1,1,0,0,0,,1,,TOX2525,CCCCC(CC)COC(=O)c1ccc(O)cc1
0,0,,0,0,0,0,0,0,0,,,TOX2256,CC(=O)c1ccc(Cl)c(Cl)c1Cl
0,0,0,,1,1,0,0,0,0,1,0,TOX2523,CCCCCCCOC(=O)c1ccc(O)cc1
0,0,0,0,1,1,0,0,0,0,0,0,TOX2522,CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX2521,CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX2520,CCOC(=O)C=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2529,COC(=O)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3125,NCCc1cnc[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5809,CCCCCCCC/C=C\CCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3122,CN1C(=O)C(C)(C2=CCCCC2)C(=O)N=C1O
0,0,0,0,0,0,0,,0,,0,0,TOX3123,COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
0,0,0,,,,,,0,1,1,1,TOX5805,CCCCCCCCn1sccc1=O
0,0,0,0,0,0,0,0,0,,0,0,TOX5804,C=CCCCCCC
0,0,,,0,0,,,0,,1,,TOX5807,CCCCCCCCOc1ccc(C(=O)O)cc1
0,1,1,,,0,,,0,0,,1,TOX3128,CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12
0,0,,0,0,0,0,0,0,0,,0,TOX25316,c1ccc2c(c1)CCCC2C1=NCCN1
0,0,0,0,0,0,,0,0,0,,0,TOX25315,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25312,CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)C=CC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25310,C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@@]32C)O[C@]12CC[C@@H](C)CO2
0,0,1,,0,0,1,0,0,1,1,0,TOX6573,c1ccc2sc(SSN3CCOCC3)nc2c1
0,0,0,,,0,0,1,0,0,,,TOX14609,N#Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(=O)C(F)(F)F
0,0,0,0,0,0,0,,0,0,,0,TOX14601,CC(Cc1ccc(C(C)(C)C)cc1)CN1C[C@H](C)O[C@H](C)C1
0,0,0,1,,0,0,1,0,0,1,0,TOX11121,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
0,,1,1,,0,,,,0,,,TOX14956,FC(F)C(F)(F)OCC(Cn1cncn1)c1ccc(Cl)cc1Cl
0,0,0,0,,0,0,,0,0,0,0,TOX14957,CCOP(=O)(OCC)OP(=O)(OCC)OCC
0,0,0,0,0,0,0,,0,,0,0,TOX26208,O=C1N=C2SCCN2C(=O)C1Cc1ccc(Cl)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX11380,O=C1NC2NC(=O)NC2N1
0,0,0,0,0,0,0,,0,,0,0,TOX26758,CN1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C2
0,0,0,0,0,0,0,,0,,0,0,TOX26757,C[N@+]12CCCC[C@@H]1CCC(=C(c1cccs1)c1cccs1)C2
1,0,0,,1,0,0,0,,0,0,0,TOX26756,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
1,1,0,0,0,0,0,1,0,0,0,0,TOX26201,C[C@H]1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26200,COc1ccc(Cc2cnc(N)nc2N)cc1OC
0,0,0,0,0,0,0,,0,,0,0,TOX26202,Cc1cnc(C(=O)O)c[n+]1[O-]
0,,1,,1,1,0,1,1,0,1,0,TOX29283,O=C1c2ccccc2C(=O)c2cc(O)ccc21
0,0,,0,0,0,0,1,0,0,1,0,TOX4318,CCNc1nc(NC(C)(C)C)nc(SC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4317,Cc1[nH]c(=O)n(C(C)(C)C)c(=O)c1Cl
0,0,0,1,0,0,0,0,0,0,0,0,TOX4315,CCCCC(C#N)(Cn1cncn1)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4311,O=C([O-])CF
0,0,0,0,0,0,0,0,0,0,0,0,TOX7959,CCCCOCC(C)OCC(C)O
0,1,0,,,,1,1,1,,0,0,TOX7950,C=CC(=O)OCCOCC(CC)(COCCOC(=O)C=C)COCCOC(=O)C=C
0,0,0,0,1,0,0,0,0,0,0,0,TOX7955,C=CC(=O)OCCCCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4031,Cl/C=C/Cl
0,0,0,,0,0,0,,0,,0,0,TOX4030,Cl/C=C\Cl
0,,,,0,0,0,0,0,0,,0,TOX4035,O=C(O)CCCOc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX889,C=Cc1ccc(C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3323,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6446,CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC
0,0,,0,0,0,0,,0,0,1,,TOX21468,NC(=O)Nc1ccc(Cl)c(Cl)c1
0,,,,,1,1,,1,1,,,TOX21461,O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1
0,0,0,,0,0,,0,0,0,0,0,TOX27645,COC(=O)c1ccc(OC)cc1
0,0,1,0,0,0,0,,0,0,0,0,TOX21467,O=C(O)c1snc(Cl)c1Cl
0,0,,0,,0,0,0,0,0,1,0,TOX10384,Nc1ccc(Cl)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX27404,CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1
0,0,0,0,0,0,0,0,0,,0,0,TOX27405,CCCC(=O)OCCC(C)CCC=C(C)C
0,0,,0,1,0,0,0,0,0,0,0,TOX27406,C=CCc1ccc(OC(=O)Cc2ccccc2)c(OC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27156,CCC(C)C1N=C(C)C(C)S1
0,0,1,0,0,0,0,0,0,0,0,0,TOX4787,Cc1nc2ccc(Cl)cc2[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27155,N[C@@H](CCC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27152,CCCC(=O)OC/C=C(\C)CCC=C(C)C
0,0,0,,0,0,0,0,0,0,0,0,TOX27150,CC(C)(C)OC(=O)c1ccccc1C(=O)O
,,,,,,,0,,0,,,TOX31565,CCOc1nc(=O)c(F)c[nH]1
,,,,,,,0,,0,,,TOX31566,N#CC1(c2ccc(F)cc2)CCC(=O)CC1
,,,,,,,,,0,,,TOX31560,CCOC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
,,,,,,,,,0,,,TOX31561,O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
,,,,,,,0,,0,,,TOX31563,NC(=O)NC1N=C(O[AlH3](O)O)NC1=O
,,,,,,,0,,0,,,TOX31568,COCCc1ccc(OCC2CO2)cc1
,,,,,,,0,,0,,,TOX31569,C#Cc1ccc(-c2ccccc2F)cc1
1,1,0,,0,0,0,0,0,0,0,0,TOX20750,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
0,0,0,0,,0,,,0,,1,,TOX20758,CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21
0,0,0,0,0,0,0,0,0,0,,0,TOX24834,CP(=O)([O-])OCCC[Si](O)(O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX24835,N#Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX24837,OCCC1CCCCN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24830,CC(C)(O)C(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24831,CCCCOC(=O)C(C)OC(=O)CCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24832,COC(C=C(C)CCC=C(C)C)OC
0,0,0,0,,0,0,0,0,0,0,0,TOX24833,CCC(=O)OC(C)(C)C1CC=C(C)CC1
0,0,0,,,0,0,0,0,0,0,0,TOX24839,C=C[Si](OC(=C)C)(OC(=C)C)OC(=C)C
,,,,,,,1,,1,,,TOX31629,C/C=C(C(=C/C)/c1ccc(OC(C)=O)cc1)\c1ccc(OC(C)=O)cc1
,,,,,,,,,0,,,TOX31625,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12
,,,,,,,0,,0,,,TOX31624,Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
,,,,,,,1,,0,,,TOX31623,CC#C[C@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
,,,,,,,0,,0,,,TOX31622,CCOC(=O)C(=O)CCCCCCl
,,,,,,,1,,0,,,TOX31621,Nc1ccc(Cl)cc1C(=O)c1ccccc1F
,,,,,,,1,,0,,,TOX31620,Cc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1
1,1,0,0,0,0,0,1,0,0,0,0,TOX2974,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1440,C=CN1CCCC1=O
0,,0,0,0,0,0,0,0,0,0,0,TOX1552,C1CCCCCCCCCCC1
0,0,0,0,1,1,0,0,0,0,0,0,TOX1446,Cc1cccc(C)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX1448,Cc1ccc(N)c(C)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX4800,Oc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9279,O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)[O-])c1
0,0,1,0,0,0,0,1,0,0,,0,TOX9277,Nc1c(S(=O)(=O)[O-])cc(Br)c2c1C(=O)c1ccccc1C2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2605,CC(C)CCON=O
0,0,0,0,0,0,0,,0,0,0,0,TOX2062,CC(=O)C(C)C
0,0,,0,0,0,0,0,0,0,,1,TOX2060,O=Cc1ccccc1[N+](=O)[O-]
0,0,,,1,0,0,0,0,0,0,0,TOX2061,O=Cc1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14383,COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14382,CC(C)=C[C@@H]1[C@@H](C(=O)OCc2coc(Cc3ccccc3)c2)C1(C)C
0,0,0,0,1,0,0,,1,,0,1,TOX28571,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1OP(=O)(O)O
,,,,,,,0,,0,,,TOX28570,C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21
,,,,,,,0,,0,,,TOX28573,CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)NC)CC(=O)[O-])CC(=O)[O-].[Gd+3]
0,0,0,0,0,0,0,,0,,0,0,TOX28572,Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+]
0,0,,,0,0,,0,0,0,1,0,TOX28575,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)C1c1ccccc1[N+](=O)[O-]
0,0,0,0,0,0,,,0,,0,1,TOX28574,C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
1,,1,,,0,0,,1,0,,0,TOX28576,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX25120,CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
0,0,0,0,0,0,0,0,0,0,,0,TOX25122,CC(N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1
0,0,1,,,0,,1,0,0,,0,TOX25125,CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O
0,0,0,0,0,0,0,1,0,0,1,0,TOX3103,CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
0,0,1,1,0,1,0,1,0,1,1,1,TOX54,CCn1c2ccccc2c2cc(N)ccc21
0,0,1,,,0,0,0,0,,,0,TOX53,CCOc1ccc(NC(C)=O)cc1N
0,0,1,0,0,0,0,,0,0,1,0,TOX52,Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
0,0,0,,,0,0,1,0,0,,0,TOX58,Nc1nnc(-c2ccc([N+](=O)[O-])o2)o1
0,,0,,,,,,0,1,1,1,TOX12533,CCOCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F
0,0,0,0,0,0,0,,0,0,0,0,TOX28759,Cn1cc(S(C)=O)c(=O)c2ccc(F)cc21
0,0,1,,1,0,0,0,1,0,0,0,TOX28754,C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1
0,0,1,1,0,0,0,0,0,0,0,0,TOX28757,O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21
0,0,0,0,0,0,0,,0,0,0,0,TOX28756,O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX28751,CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
0,0,0,0,0,0,0,,0,,0,0,TOX28750,CCC(=O)O[C@H]1[C@@H](N2CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C
0,0,1,0,0,0,0,0,0,0,0,0,TOX28753,COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1
0,0,0,,,0,,,0,0,0,1,TOX898,CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX899,O=[Mo](=O)=O
0,0,0,0,0,0,0,,0,0,0,0,TOX7131,c1nc[nH]n1
0,,0,0,0,0,0,,0,0,0,0,TOX895,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl
0,0,0,0,0,0,0,0,0,0,1,0,TOX7137,CCCCCCCC/C=C\CCCCCCCC(N)=O
1,1,0,0,0,0,0,0,0,0,0,0,TOX890,Cc1cc(=O)[nH]c(=S)[nH]1
0,0,0,0,,0,,,0,,1,,TOX7134,CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
1,,0,,0,0,0,1,0,,1,0,TOX3333,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl
0,0,0,0,1,1,0,0,0,0,1,0,TOX1771,CCC(C)(C)c1ccc(O)cc1
0,0,,0,,0,0,0,0,0,0,0,TOX4815,Cc1c(N)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4814,Cc1ccc(Cl)cc1
0,0,0,0,1,1,,1,0,1,1,,TOX1770,CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX1867,Nc1ccc(Br)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1866,CCCCOC(=O)CCCCC(=O)OCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX1864,Cc1ccc(O)c(C)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX25745,COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC
0,0,0,0,1,0,0,0,0,0,0,0,TOX1869,Cc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1868,Cc1ccc(C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25746,COc1ccc(S(=O)(=O)N2c3ccc(Cl)cc3[C@@](O)(c3ccccc3Cl)[C@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1OC
0,0,0,0,1,0,0,0,0,0,0,0,TOX21889,O=[PH](Oc1ccccc1)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX321,C[NH+](C)CCC(c1ccc(Cl)cc1)c1ccccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX322,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX325,C[N+](C)(C)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX326,O=[Cr]O[Cr]=O
0,0,0,,0,0,0,0,0,0,0,0,TOX327,[Cr+3]
0,0,0,0,0,0,0,0,0,0,0,0,TOX329,CN/C(=N\C#N)NCCSCc1nc[nH]c1C
0,0,,,0,0,0,0,0,0,0,0,TOX7540,CCCCNS(=O)(=O)c1ccccc1
0,0,0,0,,0,0,0,0,0,0,0,TOX7546,C=C(C)c1cccc(C(=C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7544,CC=CC(=O)O
0,0,0,0,,0,0,0,0,0,0,0,TOX21253,CC1OC(=O)C(C)OC1=O
0,0,1,,0,0,0,1,0,0,1,,TOX21252,Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
0,0,1,,0,0,0,,0,0,,0,TOX21250,CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX21256,OCCCCCO
0,,0,,,0,,1,0,0,1,1,TOX21883,CC(C)(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
0,,1,0,0,0,1,,0,0,,,TOX29004,CSc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1
0,0,0,0,0,0,1,0,0,0,0,0,TOX29002,CC(C(=O)O)c1ccc2c(c1)CC(=O)c1ccccc1S2
0,,,0,0,,,,1,,,1,TOX29000,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
0,0,0,0,0,0,0,,0,,0,0,TOX29001,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N/O)cc1)C1CCCCC1
0,,,,0,0,0,0,,0,0,,TOX29008,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX29009,[NH3+]c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21783,NC(=S)c1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX27523,CC(C)c1ccc(S(=O)(=O)[O-])cc1
0,0,0,0,0,,,0,0,,0,,TOX27527,CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27526,CCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27524,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,,0,0,1,0,0,0,,TOX11248,c1cc[n+]2c(c1)-c1cccc[n+]1CC2
0,0,0,,0,0,0,0,0,0,,0,TOX2888,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6224,COCCOCCOCCOC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2886,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
1,1,0,1,1,1,0,,0,1,0,0,TOX2880,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4660,Cc1ccccc1Br
0,1,,1,1,1,,,1,0,1,1,TOX2883,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26343,CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX26344,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1
0,,,,,,,,,,,,TOX26837,CCCCCCOc1ccc(C(=N)N(CCCC)CCCC)c2ccccc12
0,,0,,,,,,,1,,,TOX27369,COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl
0,1,0,,0,0,0,1,0,0,0,0,TOX27368,COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3cccc(OCCN4CCCCC4)c3n1)C2=O
0,0,0,,0,0,0,0,0,0,,,TOX27360,CCOC(=O)COc1ccc2c(c1)CC(NCC(O)c1cccc(Cl)c1)CC2
0,0,0,1,0,,,,0,,,0,TOX26835,CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21
0,,,,,,,,0,,1,,TOX27366,O=C(Nc1ccc2[nH]ccc2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX20324,CNC(=O)Oc1cccc(C(C)C)c1
0,0,0,,0,0,,,0,1,,,TOX20326,O=C(O)CC(O)(CC(=O)O)C(=O)O.Oc1cccc2cccnc12
0,0,,1,,,0,0,0,,,0,TOX20320,COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
,,,,,,,0,,,,,TOX26418,N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
1,0,0,,0,0,0,0,0,0,,0,TOX26949,CN(C)CCCN1c2ccccc2Sc2ccccc21
1,1,,0,1,,0,0,0,0,0,0,TOX26410,CC(=O)N1C[C@H](O)C[C@H]1C(=O)O
0,0,0,0,0,0,0,,0,,,0,TOX26411,CCC(C)(S(=O)(=O)CC)S(=O)(=O)CC
,,,,,,,0,,0,,,TOX26412,C[C@@H](O)[C@H](N)C(=O)O
0,0,1,,0,0,1,,0,,1,0,TOX26413,CN1C(=O)/C(=N/NC(N)=S)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX26946,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C
0,0,0,0,0,0,0,0,0,0,,0,TOX26415,CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1
0,,,,,0,0,0,0,0,0,0,TOX26417,CCNC(=O)/C=C/c1cccc(Br)c1
0,0,0,0,,0,0,,0,0,,0,TOX22259,O=S(=O)(c1ccccc1)c1ccc(Cl)cc1
0,0,,,1,0,,0,0,1,,,TOX22252,CN(C)c1ccc(SC#N)cc1
0,0,0,1,,0,,,0,0,1,1,TOX22256,OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1
0,,0,0,0,0,,0,0,0,,0,TOX27099,CCCCCCC1CCCC(=O)O1
0,0,0,0,0,0,0,0,0,,,0,TOX27098,CC(CC=O)c1ccccc1
0,0,0,1,1,0,0,0,0,0,0,0,TOX1164,C1CNCCN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27095,CCOC(=O)CCc1ccccc1
0,0,,0,,0,0,0,0,0,0,0,TOX27094,CCOC(=O)CC(=O)c1ccccc1
0,0,0,0,0,0,0,,0,0,,0,TOX27092,CC/C=C\CC1=C(C)CCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27091,CCC(=O)OC(C)c1ccccc1
0,0,0,,,0,0,0,0,0,0,0,TOX27090,Cc1cccc2nccnc12
,,,,,,,,,0,,,TOX31408,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)CC3OC1CC(N2CCOC(OC)C2)C(O)C(C)O1
1,0,0,0,0,0,0,0,0,0,0,0,TOX1277,C/C=C/C=C/C(=O)O
0,0,0,,0,0,0,1,0,1,0,0,TOX2956,CCN(CC)C(=S)[S-]
0,0,0,,,,,0,0,,1,1,TOX1270,[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX10047,Brc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br
1,0,0,0,0,0,0,0,0,0,0,0,TOX3589,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9062,CCC(OCCCOC)OC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX7300,Cc1cscn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7301,NC1CCCCC1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7302,O=C(Cl)c1c(Cl)c(Cl)c(C(=O)Cl)c(Cl)c1Cl
0,0,0,,0,0,0,1,0,1,0,0,TOX7304,C[Sn](C)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7308,CCCCC(CC)C(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7309,CCOCCC(=O)OCC
0,0,0,0,0,0,0,,0,,,1,TOX25910,N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1053,CN(N=O)c1ccccc1
0,0,,,0,0,0,,0,0,,0,TOX4574,NC(=O)Nc1nc2ccccc2[nH]1
0,0,0,0,0,0,0,0,0,,0,0,TOX1059,O=NN1CCNCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX25802,OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
0,0,,0,0,0,0,,0,,,0,TOX25803,COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)CC2
0,0,,0,0,0,0,,0,,0,0,TOX25800,COc1ccc(CCNC[C@H](O)c2ccc(O)cc2)cc1OC
0,,,,,0,,,,,,,TOX25806,COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(C)c(=O)n1CC2
0,0,0,,,0,,0,0,0,,1,TOX25804,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21
0,0,,0,0,0,0,0,0,0,0,0,TOX25805,CC(C)(C)NCC(O)c1ccccc1Cl
0,,1,0,1,0,0,,0,,0,0,TOX25809,CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
0,0,0,0,0,0,0,,0,,0,0,TOX27408,COC(=O)CC(C)CCC=C(C)C
0,0,0,0,0,0,0,,0,1,,0,TOX669,CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX668,O=S1OCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX664,OCC(O)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX24389,COC(C)(C)CCO
1,1,0,0,1,1,0,,0,0,0,1,TOX13664,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX662,OCC(O)CO
0,0,0,0,0,0,0,1,0,0,0,0,TOX24317,O=S(=O)(O)c1ccc(O)c2ncccc12
0,0,,0,0,0,0,0,0,0,0,0,TOX24316,Cc1ccc(S(=O)(=O)O)cc1.O
0,0,1,,1,1,0,,0,0,1,1,TOX17717,Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
0,0,0,0,0,0,0,,0,,1,0,TOX21269,C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@]3(C)O
0,0,0,,1,,0,1,0,,1,1,TOX17712,CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,0,0,0,0,,0,0,,0,TOX9683,O=S(=O)(O)O
0,0,1,1,1,1,0,,0,1,1,,TOX27950,O=C(c1ccc(O)c(O)c1)c1ccc(O)cc1O
0,0,1,0,0,1,0,1,1,,0,1,TOX409,c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12
0,0,0,0,,0,0,0,0,0,1,0,TOX401,Nc1ccc(O)c(N)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX400,Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
0,0,1,0,0,0,0,,0,0,1,0,TOX402,Cc1ccc(N)cc1N
0,0,1,0,0,0,0,0,0,0,0,0,TOX407,CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
0,0,0,,,0,0,0,1,0,0,0,TOX406,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
0,0,0,0,0,0,0,0,0,0,,0,TOX6432,CC(C)(C)C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX6436,CC(C)(CO)[N+](=O)[O-]
0,,0,,0,0,0,,0,0,0,0,TOX14598,CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5220,CCCCCCCCCCCCS
0,,1,1,0,,0,0,0,1,,,TOX5226,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
0,,0,1,,,,1,0,0,1,0,TOX14590,CSC1=N[C@@](C)(c2ccccc2)C(=O)N1Nc1ccccc1
0,,0,,1,1,,,0,,1,,TOX2508,CCCCCCCCCCCCc1ccc(O)cc1
,,,,,,,0,,0,,,TOX3102,CCC1(c2ccccc2)CCC(=O)NC1=O
0,0,0,0,0,0,0,,0,,0,0,TOX26777,CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3101,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6557,OCCN(CCO)c1cccc(Cl)c1
0,0,0,1,,0,0,,0,0,0,0,TOX12532,CCOC(=O)C(Cl)Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl
1,,1,,1,0,0,,1,0,0,0,TOX26776,O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1
0,0,,0,0,0,0,0,0,0,,0,TOX12536,CC(C)=CC1C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
0,,0,,,0,,,0,,,,TOX12537,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
0,0,1,0,0,0,0,1,0,0,0,0,TOX6558,COc1ccccc1NC(=O)CC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX29274,Cn1cnc2c(=O)nc(N)[nH]c21
1,0,,,0,,0,,0,0,,0,TOX25375,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25376,N=C(N)NC(=N)N1CCOCC1
0,0,0,0,0,0,,,0,,,0,TOX25377,Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
0,0,0,,0,0,0,,0,0,0,0,TOX25370,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1
1,1,,,0,,0,0,0,0,0,0,TOX25371,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25372,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1
0,,0,0,0,0,0,0,0,0,,0,TOX25373,CCCCc1cc2ccccc2c(OCCN(C)C)n1
0,,0,,0,0,0,0,0,0,,0,TOX26772,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14627,Nc1c(Cl)c(F)nc(OCC(=O)O)c1Cl
0,,0,,,,,1,0,0,1,,TOX14625,CO/N=C(/C1=NOCCO1)c1ccccc1Oc1ncnc(Oc2ccccc2Cl)c1F
,,,,,,,1,,0,,,TOX25343,O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1347,O=c1cc[nH]c(=S)[nH]1
0,0,1,,,1,0,,0,0,0,0,TOX1344,Nc1ccc(Sc2ccc(N)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6880,CC(=O)OCCOC(C)=O
0,0,0,0,1,0,0,,0,,0,0,TOX6881,CCCCCCCCCCCCCCCCCC(=O)OCCO
0,0,0,,,,0,0,0,0,0,0,TOX6882,CCCCCCCC
0,1,1,,,,,1,1,1,1,1,TOX12751,N=C1NC(=N)c2cc3ccccc3cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX6888,C1=CCCC=CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6889,CCCCCCCCCCCC(=O)OC
0,0,1,0,0,0,0,,0,0,0,0,TOX12759,Oc1ccc(O)c2c(O)cccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX9619,N#C[S-]
0,0,,0,0,0,0,0,0,0,0,0,TOX1340,CC(N)=S
0,,,,,,,,,1,1,,TOX1341,Cc1cc(O)c(C(C)(C)C)cc1Sc1cc(C(C)(C)C)c(O)cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX30037,COc1ccccc1N1CCNCC1
0,,1,,0,,,1,0,1,,0,TOX29271,Nc1ccccc1Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29270,CCC[N+]1(C)CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29273,CCCCCCCCCCCCCCCCI
0,0,0,0,0,0,0,0,0,0,,0,TOX29272,O=[N+]([O-])c1ccc2[nH]ncc2c1
1,1,0,,0,0,0,,0,,,0,TOX26773,CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,,0,TOX29279,C=CCCC=C
0,,,1,,,,,,,1,1,TOX26778,C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
0,0,0,,1,0,0,,0,0,1,0,TOX22065,ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22061,CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX22060,CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2
0,0,1,0,,0,0,0,0,0,0,0,TOX22063,COP(N)(=S)Oc1ccccc1C(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX22062,CCC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7933,CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX7932,CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1.OCCN(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX4370,CC(C)CC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4376,CCCSC(=O)N(CCC)CCC
0,0,0,,0,0,,,0,0,1,,TOX1413,O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX4018,COc1c(Cl)ccc(Cl)c1C(=O)O
0,0,0,0,0,0,0,0,0,0,1,0,TOX4015,Brc1ccc(Oc2ccc(Br)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4014,ClC(Cl)(Br)Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX21446,OC1CCCCC1c1ccccc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX21442,O=S(=O)([O-])c1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21440,CCC(C)COC(=O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX21441,Cc1ccccc1OCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27134,CC=CC(=O)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27427,CCCCCC(CC)OC(=O)CCCOc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX27136,Fc1c(F)c(F)c(Br)c(F)c1F
0,0,0,,0,0,0,,0,,1,0,TOX27425,CCCCc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,,0,0,TOX27130,C/C=C(\C)C(=O)OCc1ccccc1
0,0,,0,0,0,0,0,0,0,1,,TOX27423,CC(=O)Oc1ccc([N+](=O)[O-])cc1CCl
0,0,0,,,0,,1,0,0,0,0,TOX27133,CC1=NC(C)OC1C
,,,,,,,0,,0,,,TOX31543,O=C(O)c1ccc(O)nc1
,,,,,,,0,,0,,,TOX31540,CN1CCC(N(Cc2ccccc2)c2ccccc2)CC1
,,,,,,,0,,0,,,TOX31541,Cc1ccc2ccc(Cl)cc2n1
0,0,0,,0,0,1,0,0,,1,0,TOX27139,O=C1CCCC=CCCCCCCCCCC1
1,1,0,,1,0,0,0,0,0,0,0,TOX27429,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX5427,CC(C)(O)C#N
0,0,0,0,0,0,0,0,0,0,,0,TOX5425,NO
0,0,0,0,0,0,0,0,0,0,0,,TOX5424,[NH3+]O.[NH3+]O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5423,NCCNCCO
0,0,0,0,0,0,0,,0,0,0,0,TOX5422,N#CC(O)c1ccccc1
0,0,,,1,1,0,1,0,1,1,0,TOX5429,Oc1ccc2cc(SSc3ccc4cc(O)ccc4c3)ccc2c1
0,0,0,0,0,0,0,,0,,0,0,TOX3735,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@@H](C(=O)O)C(C)C
0,0,0,0,0,0,0,,0,,0,0,TOX3734,CCCC(CCC)C(N)=O
,,,,,,,0,,0,,,TOX31605,COc1ccc2[nH]c(SCc3ncc(C)c(OC)c3C)nc2c1
,,,,,,,,,1,,,TOX31607,C/C(=C(/OCCOc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl)n1ccnc1
,,,,,,,0,,0,,,TOX31606,NS(=O)(=O)c1cc(C(=O)NN2C[C@H]3[C@H]4CCC(C4)[C@H]3C2)ccc1Cl
,,,,,,,,,1,,,TOX31601,Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1
,,,,,,,,,0,,,TOX31600,Nc1ccccc1C(=O)OCC(O)CO
,,,,,,,,,0,,,TOX31603,CCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C(=O)OCC
,0,0,1,,0,0,0,0,0,0,0,TOX9474,CCCCCCCCCOCC1CO1
,,,,,,,0,,0,,,TOX31608,CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21
0,0,1,0,0,0,0,0,0,0,0,0,TOX5768,N#CCc1ccccc1[N+](=O)[O-]
0,0,0,,0,0,0,0,0,0,,0,TOX5764,O=[N+]([O-])c1ccc(CCO)cc1
0,0,0,0,1,0,0,1,0,0,1,0,TOX5765,O=[N+]([O-])c1cccc(O)c1
0,0,0,,0,0,0,0,0,0,0,0,TOX5761,Cc1ccc2ccccc2c1[N+](=O)[O-]
0,0,,,1,0,1,1,0,1,1,1,TOX1421,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1427,CCOC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1424,O=c1cc[nH]c(=O)[nH]1
0,0,,0,,0,0,0,0,0,0,0,TOX9218,CCc1ccc(Br)cc1
0,0,0,,0,0,0,1,0,0,0,0,TOX9210,CCCC[Sn](Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX9211,O=C(O)c1ccc2cc(C(=O)O)ccc2c1
0,0,0,,,0,,1,0,0,,,TOX12520,CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
1,0,0,0,0,0,0,0,0,0,0,0,TOX9217,CCCOCC(C)O
0,0,,0,0,0,0,,0,0,0,0,TOX14365,C=CCOC(=O)C(C)(C)OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX24818,CCCCCCC(CO)CCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX24819,O=C([O-])c1cc(C(=O)O)cc(S(=O)(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28518,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccn4ncccc43)CS[C@H]12)c1nsc(N)n1
0,0,0,0,0,0,0,0,0,0,,0,TOX24812,COC(C)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX28516,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C)CS[C@H]12)c1csc(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20657,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
0,0,,0,,0,0,,0,,,0,TOX28514,CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX28513,CC(C)(S)C(=O)N[C@@H](CS)C(=O)O
0,0,0,0,1,,0,,0,,,0,TOX28511,CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24815,CCCCOC(=O)CCCCCCCC(=O)OCCCC
0,0,0,,0,0,0,0,0,0,0,0,TOX4442,C=CCBr
0,,0,0,0,0,0,0,0,0,0,1,TOX25149,CCC1(C2=NCCN2)Cc2ccccc2O1
0,0,1,0,0,0,0,,0,0,1,0,TOX17565,Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX25145,CN(C)CC/C=C1\c2ccccc2COc2ccccc21
0,0,0,1,,0,0,,0,,0,,TOX25144,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25141,CN(C)CCOC(=O)COc1ccc(Cl)cc1
0,0,0,0,,0,0,0,1,0,0,0,TOX25140,CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1
0,0,0,0,,0,0,1,0,0,0,0,TOX1121,N=C(N)NC(=N)NCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4447,C=CCOC(=O)CCCCCCCC
0,0,0,,0,0,0,0,0,0,0,0,TOX18700,COc1cc([N+](=O)[O-])ccc1N
0,0,0,0,0,0,0,,0,0,0,0,TOX4448,C=CCSSCCC
0,0,0,,0,0,0,,0,0,1,0,TOX7116,C[Si](Cl)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7113,CC(C)C(O)C(C)(C)CO
1,1,0,,1,1,0,,0,0,0,0,TOX3353,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1
1,1,0,,1,1,0,0,0,0,0,0,TOX3352,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
1,1,0,0,1,1,0,1,0,0,0,0,TOX3350,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3356,CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
0,0,0,,0,0,0,,0,0,0,0,TOX24760,Cl[Nd](Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX24762,CCO[Si](CCC1CCC2OC2C1)(OCC)OCC
0,0,1,,1,0,0,0,0,0,0,0,TOX24763,CCOC(=O)c1ccc(N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24764,CC(C)C(=O)OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX24767,OCCc1ccccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1848,CCNc1cccc(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1847,c1ccc(Oc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1843,N#Cc1ccccn1
0,0,1,1,,0,,,0,,,,TOX18877,COc1ccccc1NC(=O)c1cc2ccccc2cc1O
0,0,,,,0,0,0,1,0,,0,TOX18876,O=C(Oc1ccccc1)c1ccc2ccccc2c1O
,0,1,,1,1,0,0,0,0,1,,TOX18875,COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX7388,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX6676,O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
0,0,0,0,,0,0,,0,0,0,0,TOX15163,COc1ccc(OC)c(OC)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX15160,CC(=O)/C=C/C1C(C)=CCCC1(C)C
0,0,0,0,1,0,0,0,0,0,0,0,TOX348,O=c1ccc2ccccc2o1
0,,,0,0,,,,1,,1,1,TOX342,CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX21270,CC(=O)OCCC(C)CC(C)(C)C
0,0,0,0,0,0,0,1,0,0,0,0,TOX340,[Co+2]
1,0,0,0,0,0,0,1,0,1,0,0,TOX341,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
0,0,0,0,0,0,0,0,0,0,0,0,TOX21275,CCCCCCCCCCCC(=O)OCC(O)CO
0,0,1,0,0,0,0,0,0,0,0,0,TOX347,CCOP(=S)(OCC)Oc1ccc2c(C)c(Cl)c(=O)oc2c1
0,,0,,0,0,1,0,0,0,1,1,TOX344,CCCc1c(OCCCCc2nnn[nH]2)ccc(C(C)=O)c1O
0,,,,,1,,,1,1,,0,TOX345,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
0,0,0,0,0,0,0,1,0,0,0,0,TOX29113,CCCC[n+]1cccc(C)c1
0,0,1,0,,0,0,0,0,0,0,0,TOX29069,O=C1c2ccccc2C(=O)c2cc(Cl)ccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX29064,Cc1nc2ccccc2s1
0,,,,,,,,0,,1,1,TOX29065,N#Cc1c2ccccc2cc2ccccc12
0,0,,,0,0,,1,0,,1,,TOX29066,O=CC=C(c1ccccc1)c1ccccc1
0,,0,,0,,0,0,1,,,,TOX29067,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1
0,0,1,0,0,0,0,,0,,0,0,TOX25606,COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1653,CCCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1654,O=C(O)CCCC(=O)O
0,0,0,1,,0,0,,,0,0,0,TOX25601,CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
1,1,0,0,0,0,0,,0,,0,0,TOX25602,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX8666,CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX1657,CC(=O)c1ccc(C(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24369,CN(C)c1ccncc1
0,,0,,,0,,,,,,,TOX22570,Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
0,,0,,,,,1,0,1,,,TOX14223,CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX17626,O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,0,0,1,1,0,1,0,0,0,0,TOX814,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C
0,0,1,,0,0,0,0,0,0,,0,TOX27309,Cc1c(-c2cccnc2)c2ccccc2n1CCCCC(=O)O
0,0,0,0,,,,1,0,,0,,TOX27308,O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(-c4ccccc4)cc2)[C@H]3O)CCCC1
0,0,0,,0,0,1,1,0,0,,,TOX27307,Cc1oc(-c2ccccc2)nc1CCOc1cccc2c1ccn2CCC(=O)O
0,0,,,1,0,0,0,0,0,0,0,TOX27306,Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c2c1CCC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27305,CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)ccc4OCc4cc(C)no4)ncnc32)[C@H](O)[C@@H]1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX541,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1
0,0,0,0,0,0,0,,0,,0,0,TOX20651,CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)C42OO3
0,0,0,0,0,0,0,0,0,0,,0,TOX20653,O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX20656,CC(C)C(Br)C(=O)NC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX930,CN1CCC[C@H]1c1cccnc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX543,Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C
0,0,0,0,0,0,0,,0,0,1,0,TOX1483,O=CCc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX26438,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
0,1,0,0,0,0,0,,0,,0,0,TOX26435,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SC3Cn4cnc[n+]4C3)[C@H](C)[C@H]12
0,0,0,,0,0,0,0,0,0,,0,TOX26432,CN1C[C@@H]2C[C@H]1CN2c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
1,0,0,,0,0,0,0,0,0,,0,TOX26433,CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27426,C=C(C)C1CC=C(C)C(=O)C1
0,0,0,0,0,0,0,0,0,,0,0,TOX27135,Cc1ccccc1S
1,1,,,0,0,0,0,0,0,0,0,TOX27137,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX27422,CCC(=O)C1CC(C(C)C)CC=C1C
0,0,0,0,0,0,0,0,0,0,,0,TOX27131,CC(C)=CCOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27420,COc1cc(CCC(C)=O)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26051,OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
,,,,,,,0,,0,,,TOX26403,N[C@H](C(=O)O)c1ccc(O)cc1
0,0,,,,0,,,,,,,TOX26507,CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1212,O=C(O)c1ccc(O)c(O)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX29088,CCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
1,1,0,0,,0,,1,0,0,0,,TOX1217,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
,,,,,,,,,0,,,TOX31547,Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)C2CCC3C2)c1
,,,,,,,0,,0,,,TOX31544,O=C(CCCl)NCc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX26059,COc1ccc(/C=C/C(=O)O)cc1
0,,0,1,,,,1,0,0,1,,TOX29084,CCCCCCCCCCn1cc[n+](C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7328,O=S(=O)([O-])CO
0,0,0,0,0,0,0,0,0,0,,0,TOX7329,C=CCCCCCCCC
0,0,0,0,0,0,0,1,0,0,0,0,TOX7322,O=C1CCCCCCCCCCC1
0,0,0,,,0,0,0,0,0,1,,TOX7323,O=[N+]([O-])c1ccc(Nc2ccccc2)cc1
0,0,0,,0,0,0,0,0,0,1,0,TOX7320,O=[N+]([O-])c1ccc([O-])cc1
0,,0,,,,,1,1,1,,1,TOX22248,c1cc(N(CC2CO2)CC2CO2)ccc1Cc1ccc(N(CC2CO2)CC2CO2)cc1
0,0,0,0,1,0,0,0,0,0,,0,TOX4598,O=C(OCc1ccccc1)c1ccccc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX4597,O=C(Cc1ccccc1)OCc1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX24489,CC(=O)C(Cl)C(=O)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24488,N#CC1(N)CCCCC1
0,0,0,,0,0,0,0,0,1,,0,TOX24481,O=C1CCCCCN1SSN1CCCCCC1=O
1,0,0,,0,0,0,,0,,0,0,TOX28652,COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O
0,,,,,1,0,,1,,0,0,TOX28653,S=C(SSC(=S)N1CCCCC1)N1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13649,COC(=O)CC#N
1,1,,,0,,,,0,,1,0,TOX28656,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24486,CC(C)NC(=O)NC(C)C
0,0,0,0,0,,1,,0,,1,,TOX17734,CCCCCCCCCCCCCCC(Br)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24375,C=CCOCC(O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24374,CC(=O)c1ccc(C)cc1
0,0,1,,,0,,1,0,,,,TOX17730,O=C(O)c1cc(O)c2ccccc2c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24371,O=S(=O)(O)CCCN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24370,CCCCNc1ccccc1
0,0,0,,0,0,0,0,0,0,0,0,TOX27935,FC(F)(F)c1ccc(Cl)cc1Cl
0,0,0,0,1,1,,1,0,0,1,,TOX27936,Oc1ccc(Sc2ccc(O)cc2)cc1
0,,,,1,1,0,1,0,0,,0,TOX27937,O=C(c1ccc(O)cc1)c1ccc(Cl)cc1
0,0,,0,1,1,,,0,0,1,,TOX17739,Oc1ccc(Nc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7386,C=CC(=O)OCCCCCCCC(C)C
0,0,1,0,1,1,0,,,0,1,0,TOX27932,O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24378,CCCCC(CC)COC(=O)CC#N
0,0,1,0,,0,,,0,1,1,1,TOX6181,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6183,CCCCN(CCCC)CCCC
,,,,,,,,,0,,,TOX31018,Cc1cc(O)c(C)c(C)c1O
,,,,,,,1,,0,,,TOX2749,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
0,0,,0,0,0,0,0,0,0,0,0,TOX2748,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1
0,0,0,0,0,0,0,1,0,0,0,,TOX2743,O=NN(CCCl)C(=O)NCCCl
0,1,,1,,1,,,1,,1,1,TOX2742,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25685,CC1(c2ccccc2)OC(C(=O)O)=CC1=O
0,0,0,0,0,0,,0,0,0,0,0,TOX25686,COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25680,CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX25683,CC(Cc1ccccc1)(NC(=O)CN)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6450,CCO[Si](OCC)(OCC)OCC
0,0,0,0,0,0,0,,0,,,0,TOX25689,O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)C[C@H](O)[C@@H]1N1CCCCC1
1,0,0,0,0,0,0,0,0,0,0,0,TOX647,O=Cc1ccco1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5249,CCCCCCCCCCCCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3113,COc1ccccc1O
0,0,0,0,0,0,1,0,0,0,,0,TOX3169,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5113,CC(C)CC(C)N
,,,,,,,0,,0,,,TOX3163,COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I
0,0,0,0,0,0,0,,0,,0,0,TOX3166,CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I
0,0,0,0,0,0,0,0,0,0,,0,TOX12516,CCCCCCCCSCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX25429,CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12
0,1,0,,1,0,,0,1,0,1,1,TOX12514,O=Cc1ccccc1C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX12513,Cc1cc(C)n(CO)n1
0,0,0,0,0,0,0,0,0,0,0,,TOX25420,Cc1ncc([N+](=O)[O-])n1CC(O)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX25351,COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1
1,0,0,0,0,0,0,0,0,0,0,0,TOX22436,COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O
0,0,1,0,0,0,0,0,0,0,,0,TOX22437,COC(=O)Nc1ccc(Cl)c(Cl)c1
1,0,0,0,0,0,0,,0,,0,0,TOX25354,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)C(O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O
0,,0,0,0,,,,0,,0,1,TOX16467,O=S(=O)([O-])c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3S(=O)(=O)[O-])cc2)cc1
0,0,0,,0,0,,1,1,,,1,TOX423,O=C/C(Cl)=C(/Cl)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX421,Cl[C@H]1OCCO[C@@H]1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX420,C#CC(C)(C)NC(=O)c1cc(Cl)cc(Cl)c1
0,0,1,1,0,0,0,1,0,0,0,0,TOX427,Nc1cc(Cl)c(N)c(Cl)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX426,Nc1c(Cl)cc([N+](=O)[O-])cc1Cl
0,0,1,1,,,0,,0,1,1,,TOX425,O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
0,0,1,,0,0,,1,0,0,1,1,TOX424,C=C(C)C(=O)Nc1ccc(Cl)c(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX428,O=C(O)C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1980,CCCCCC(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX1982,CCCCOC(C)=O
0,0,0,,0,0,0,0,0,0,,0,TOX1984,CCCCCCCCCCCCN
0,0,0,0,1,0,0,0,0,0,0,0,TOX1986,CCCCOP(=O)(OCCCC)OCCCC
0,,1,,,0,0,1,0,0,1,1,TOX28654,Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N
0,0,0,0,0,0,0,,0,0,1,0,TOX4359,Oc1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7916,CCC(C)(CCC(C)C)C(=O)O
,,,,,,,0,,0,,,TOX23747,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)C1c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2472,CCCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX15209,O=c1[nH]c(=O)c2c[nH]nc2[nH]1
0,0,0,,0,0,0,0,0,0,0,1,TOX15206,C=CCSSCC=C
0,,,,,,1,1,,1,1,,TOX15204,C=C(C)C(=O)O[Sn](CCCC)(CCCC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX21424,CC(C)CCCC(C)(C)O
0,0,0,0,0,0,0,0,0,0,,0,TOX21426,C1=COCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21420,O=C(O)c1ccco1
0,0,0,,0,0,0,,0,0,,0,TOX21421,COc1cc(OC)c2ccc(=O)oc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21423,C=CN1CCCCCC1=O
0,0,0,0,0,0,0,1,0,1,0,0,TOX27118,Cc1occc1S
0,0,0,0,0,0,0,0,0,0,0,0,TOX1901,CCCOC(C)=O
0,0,0,1,,0,0,1,0,0,0,0,TOX27446,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
0,0,1,,0,0,0,0,0,0,0,0,TOX27447,NNC(=O)OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27440,CC(C)c1ccc(C#N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27117,Cl[Yb](Cl)Cl
0,0,,0,0,0,0,0,0,0,0,0,TOX27443,COc1cc(C)cc(O)c1
0,1,0,,0,,1,1,1,1,0,1,TOX5401,C=CC(=O)OCCCCCCOC(=O)C=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX8120,C=CC(C)(C)CC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5403,CCCCCCOC(=O)c1ccccc1
,,,0,,0,0,0,0,0,0,0,TOX5402,C=CCCCC
0,0,0,0,0,0,0,0,0,0,1,0,TOX5404,CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5406,C=C(C)C(=O)OCCCCCC
0,0,,0,0,0,0,0,0,0,,0,TOX5409,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3
0,0,0,0,,0,0,0,0,0,0,0,TOX5746,O=[N+]([O-])c1ccccc1-c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9189,N=C(N)N.N=C(N)N.O=C(O)O
0,0,0,0,0,0,1,1,0,0,0,0,TOX5744,O=[N+]([O-])c1ccccc1CCl
0,0,0,0,0,0,0,,0,0,0,0,TOX5745,O=[N+]([O-])c1ccc(CCl)cc1
,0,0,0,0,0,0,0,0,0,0,0,TOX5742,O=C(Cl)c1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX5743,O=[N+]([O-])c1cccc(CCl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5740,O=C(Cl)c1cccc([N+](=O)[O-])c1
0,0,,0,0,0,0,0,0,0,0,0,TOX5741,O=C(Cl)c1ccccc1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,0,0,0,TOX9182,CC(C)CC(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX9184,Nc1ccc(S(=O)(=O)[O-])cc1
,,0,0,0,0,0,0,0,0,0,0,TOX9186,Cc1nc(N)nc(N)n1
0,0,,,0,0,0,0,0,0,0,0,TOX5749,O=[N+]([O-])c1ccccc1Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1596,CCCCCCCCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX14005,NS(=O)(=O)O
0,0,0,0,0,0,0,1,0,0,0,0,TOX11521,[PbH2+2]
0,0,1,,1,0,0,1,1,0,1,0,TOX18,CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2
0,0,0,0,0,0,0,0,0,0,0,0,TOX9233,O=C(c1ccc2c(c1)C(=O)OC2=O)c1ccc2c(c1)C(=O)OC2=O
0,0,0,,0,0,0,0,0,0,0,0,TOX9230,CC(C)(C)N(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX9231,CC(CO)CO
1,,0,0,0,0,0,0,0,0,0,0,TOX9236,C=C(C)C(=O)OCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX9237,C=C(C)C(=O)OCCC[Si](OC)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX9234,C=CC(C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9235,C=CCCCCCCCCCCC
,,,,,,,0,,0,,,TOX31549,CCCCN(CCCC)C(C(N)=O)c1ccc(OC)cc1
0,,0,0,0,0,,,0,,0,,TOX20461,OCC(S)CS
0,,0,0,0,0,,0,0,0,1,1,TOX20464,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX28823,CCCN(CCC)CCc1c[nH]c2ccccc12
0,0,0,,0,0,,0,0,0,,0,TOX28827,NC1(c2ccccc2)CCCCC1
0,0,,0,0,0,0,0,0,,0,0,TOX28826,COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX21844,O=C1O[C@@H]2[C@@H](O)[C@H](O)O[C@@H]2[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28824,CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12
0,0,0,0,0,0,0,,0,,0,0,TOX28829,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
0,0,0,0,0,0,0,0,0,,0,0,TOX28828,c1ccc(CN2CCNCC2)cc1
0,0,0,0,0,0,,,0,,0,1,TOX28539,Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)cs1)C(C)O)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1
0,0,0,0,0,0,0,,0,,0,0,TOX28538,CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25164,CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25167,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C
0,0,0,,,0,,1,0,1,1,0,TOX25161,c1ccc2c(c1)OCC(C1=NCCN1)O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25163,O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccncc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25162,CCn1ccnc1CC1COc2ccccc2O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25169,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
0,0,0,1,0,,,,,,0,0,TOX25168,Cc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
0,,,,,0,,1,0,0,1,1,TOX99,COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)[O-])cc3c(c12)OCO3
0,0,1,0,0,0,0,0,0,0,0,0,TOX92,COc1ccccc1N
0,0,1,0,0,0,0,0,0,0,0,0,TOX91,Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX97,CC(COc1ccc(C(C)(C)C)cc1)OS(=O)OCCCl
0,,,,,0,,1,0,1,0,1,TOX96,O=C([O-])C1O[Sb]2OC(=O)C(O2)C(C(=O)[O-])O[Sb]2OC(=O)C1O2
0,0,0,0,,0,0,0,0,0,1,0,TOX95,O=C1c2ccccc2C(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX94,Nc1ccccc1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28799,C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28798,CCN[C@H](C)Cc1cccc(C(F)(F)F)c1
0,0,,0,0,0,0,,0,,0,0,TOX28791,CN[C@H](C)Cc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX28790,CN[C@@H](C)Cc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX28793,C[C@@H](N)C(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28792,C[C@H](N)C(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28795,CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C
0,0,0,0,0,0,0,0,0,0,0,0,TOX28794,CCN[C@@H](C)Cc1ccccc1
0,0,0,,0,0,0,0,0,0,0,0,TOX28796,C[C@H]1N=C(N)O[C@H]1c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX4437,C=CCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1156,CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC
0,0,0,,1,1,0,1,1,0,,0,TOX1152,Oc1ccc(-c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX1151,Oc1ccccc1-c1ccccc1
0,1,,,,1,,,1,1,1,,TOX1409,O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24511,CCCOC(=O)CCCCC(=O)OCCC
,0,0,,0,0,0,0,0,0,0,0,TOX1159,O=C1OC(=O)c2ccccc21
0,0,,0,0,0,0,,0,0,,0,TOX1158,NC(=O)c1ccccc1C(N)=O
0,0,1,0,1,0,0,0,0,0,,0,TOX2174,CCOP(=S)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
0,0,,0,0,0,0,0,0,0,,0,TOX2170,NC(=O)c1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2171,CCCCCCCCCCN
0,0,0,0,0,0,0,1,1,0,0,0,TOX2179,Clc1nc(Cl)c(Cl)c(Cl)c1Cl
0,0,0,,1,1,0,,1,0,1,0,TOX24514,CCCCCCOC(=O)c1ccc(O)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX3378,NC[C@H](O)c1ccc(O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24748,O=C(c1ccccc1)C1(O)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24746,CC(C)OC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25790,CN1Cc2c(N)cccc2C(c2ccccc2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3376,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17696,CN/C=N/c1ccc(C)cc1C
0,0,1,0,0,0,0,,0,0,,0,TOX3370,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24740,CC(C)OC(=O)CCC(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3372,O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1
,0,0,,,0,0,1,0,1,1,0,TOX23915,CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,1,1,0,0,0,0,0,0,TOX18857,CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX23919,OC[C@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX12180,Clc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl
1,1,0,0,0,0,0,1,0,0,,0,TOX366,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C
0,0,,0,0,0,0,0,0,0,,0,TOX367,N[C@@H](CS)C(=O)O
0,0,1,,,0,0,1,0,1,1,0,TOX360,c1ccc2sc(SNC3CCCCC3)nc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3996,NC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX363,ON=C1CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX369,CN(C)N=Nc1nc[nH]c1C(N)=O
,,,,,,,0,,0,,,TOX21217,CC(C)(O)C(Cl)(Cl)Cl
,,,,,,,0,,0,,,TOX31546,O=c1[nH]c2ccccc2c(=O)n1CCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21210,CC1=CCC(C(C)C)=CC1
0,0,0,0,1,0,0,0,0,0,,0,TOX24810,CCC(C)CCCC(C)(C)O
0,,1,1,0,0,,0,0,0,1,0,TOX24758,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21
0,0,0,,1,1,0,,0,,1,,TOX24817,CC1C2CC(CC2C2CCCC(O)C2)C1(C)C
0,0,0,,0,0,0,1,0,0,0,0,TOX26631,CCOC(CN1CCN(CC(C)C(=O)c2ccccc2)CC1)c1ccccc1
0,,0,0,0,0,0,0,0,0,,0,TOX24226,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
0,0,0,,0,0,,0,0,0,0,0,TOX26633,CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N
0,,0,0,0,0,,1,0,0,,0,TOX26634,CCOc1cc(OCC)c(C(=O)CCC(=O)O)cc1OCC
0,0,0,0,0,0,0,,0,,0,0,TOX26189,CC(CNC(=O)c1cccnc1)NC(=O)c1cccnc1
1,0,0,0,0,0,0,,0,,0,0,TOX26187,OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2
0,0,1,0,0,0,0,,0,,0,0,TOX26185,COc1ccc(/C=N\NC(=O)c2ccncc2)c(C(=O)O)c1OC
0,0,0,,,0,0,,0,,,0,TOX26183,CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
0,0,0,0,0,0,0,,0,0,,0,TOX26180,CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX26181,CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1
0,0,0,0,0,0,,0,0,0,,0,TOX27327,CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[C@H](N(C)[C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1
0,0,0,,,0,,1,,0,1,0,TOX27322,Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(Oc3cccnc3C)nc1)CC2
0,0,0,,,0,,1,,,,,TOX27328,NC(=O)c1nc(-c2cccc(-c3cc(F)ccc3OCC(F)(F)C(F)(F)F)c2)n[n-]1
0,0,0,0,0,0,0,1,0,0,0,0,TOX20676,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1
1,0,0,,0,0,0,0,0,0,0,0,TOX20674,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
0,,0,0,0,0,,,0,0,,0,TOX20675,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O
0,1,1,,1,,0,,1,,1,1,TOX20672,COC(=O)Nc1nc2cc(Sc3ccccc3)ccc2[nH]1
0,0,1,,1,0,0,1,1,0,,0,TOX20679,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
0,0,0,0,0,0,0,,0,,0,0,TOX26455,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26457,Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1
0,,1,,,0,,0,1,0,1,,TOX26450,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26451,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F
1,0,0,0,,0,0,,0,,,0,TOX26452,C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F
0,,,0,0,0,,,0,,1,,TOX26453,Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
,,,,,,,,,0,,,TOX26458,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
0,0,0,1,,0,0,0,0,0,0,0,TOX26459,NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)O)cc2)CC1
,,,,,,,0,,0,,,TOX26988,NC(CS)C(=O)O
0,0,,0,0,0,0,0,0,0,0,0,TOX26989,N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
0,0,1,,,0,0,,0,0,,0,TOX22297,CCOP(=S)(OCC)Oc1cc(C)nc(N(CC)CC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24365,CC(C)(C)NC(N)=O
0,,0,1,,0,,1,0,0,0,,TOX6900,CCCCCCCCCCCC[N+](C)(C)C
0,0,0,0,,0,0,0,0,0,,0,TOX22299,CC(C)c1ccc(O)cc1
0,0,1,0,,0,0,1,0,0,1,0,TOX7494,Cc1cccc(N)c1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7496,O=C([O-])COc1ccc(Cl)cc1Cl
0,,0,,,0,,1,0,,1,,TOX21289,CCCCCCCCCCCCCC[N+](C)(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX7498,CC(C)(N=C=O)c1cccc(C(C)(C)N=C=O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24493,CCO[Si](CCCNC(N)=O)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24491,NC(=O)CN1CCCC1=O
0,0,,0,1,1,0,,0,0,1,0,TOX17728,O=C(c1ccccc1)c1ccc(O)c(O)c1O
0,0,0,0,0,0,0,,0,0,0,0,TOX27581,CCCCCOC(=O)CCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX1238,Oc1cccc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27582,CCCCCCOC(=O)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27585,CC/C=C\CCOC(=O)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27584,CCCCCC(=O)OCCc1ccccc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX27589,CCCCCc1cccc(=O)o1
0,0,1,1,,1,,0,0,0,1,0,TOX1237,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
0,0,1,,,0,0,1,0,0,1,1,TOX4602,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2
0,0,0,,,0,0,0,0,0,,0,TOX1235,CCN(CC)c1cc2[o+]c3cc(N(CC)CC)c(C)cc3c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c2cc1C
0,0,0,0,0,0,0,0,0,0,,0,TOX24498,CC[N+](C)(CC)CC
0,0,,,,,,,,,,1,TOX28493,CN1C(=O)N(c2ccccc2Br)Cc2cnc(Nc3ccc4c(c3)OCC(CO)O4)nc21
0,0,0,,,0,,,1,0,,1,TOX28490,O=C([N-]S(=O)(=O)/C=C/c1ccccc1)c1ccc(F)cc1Cl
0,0,0,,0,0,0,,0,0,,,TOX28496,CCN(CC)C(=O)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C
0,0,,0,0,0,0,,0,0,0,0,TOX28494,CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1097,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
0,0,1,1,0,0,0,0,0,0,0,0,TOX1094,Nc1ccc(Oc2ccc(N)cc2)cc1
0,,0,1,,0,0,0,0,0,,0,TOX21983,CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX1093,C=CCOc1ccccc1OCC(O)CNC(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX21981,O=C(O)CF
0,0,,0,,0,0,0,0,0,0,0,TOX20583,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
0,,0,0,0,0,0,,0,,1,0,TOX26133,CN1C(C(=O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24359,O=C1CCCCCCCCCCCCCCO1
0,,,,0,0,0,,0,,0,0,TOX28678,COc1ccc(C2NC(=S)N3C(c4ccc(OC)c(OC)c4)NC(=S)N23)cc1OC
0,0,0,0,0,0,0,,0,,0,0,TOX28679,C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21
0,0,0,0,,0,0,,0,,0,0,TOX28674,C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX28673,CN[C@@]1(c2ccccc2Cl)CCCCC1=O
0,0,0,0,0,0,0,1,0,0,0,1,TOX28670,ClCCN(CCCl)CCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX24352,COC(=O)Cc1ccccc1
0,0,0,0,0,0,0,,0,,,0,TOX26646,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1
0,0,0,0,0,0,0,0,0,0,,0,TOX27916,CC[N+]1(C)CCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29306,CC[N+]1(C)CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX11460,CCCC[N+]1(C)CCCC1
,,,,,,,0,,0,,,TOX26641,C/C(=C(\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N
0,0,0,1,,,0,1,,0,1,,TOX27919,CCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F
0,0,,0,0,0,0,,0,0,0,0,TOX26136,O=S(=O)(O)c1cc(I)c(O)c2ncccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX29346,CCCCCCCCCCCCCC/C(O)=N\C(CO)CCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2764,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
0,,0,0,,0,0,,0,0,,0,TOX3490,CN1CCC(=C2c3ccccc3CCc3sccc32)CC1
0,,,1,,0,,,0,,1,1,TOX3492,CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)C1Cc2cc3cc(O[C@H]4C[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24227,CCCN[C@H]1CCc2nc(N)sc2C1
0,,0,0,0,0,0,0,0,0,0,0,TOX3497,CC(C(=O)O)c1ccc2c(c1)Cc1cccnc1O2
0,0,0,0,0,0,0,,0,0,0,0,TOX6472,O=C(Cl)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2544,CC(=O)Nc1nnc(S(N)(=O)=O)s1
,,,,,,,0,,0,,,TOX2546,CC(=O)NO
0,0,0,0,0,0,,0,0,0,1,0,TOX2541,CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
0,0,0,0,0,0,,0,0,0,,0,TOX2540,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,,0,0,0,TOX24346,CC1=C2N=C(C=C3N=C(C(C)=C4[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@@H]1[C@@H](CO)O[C@H](n6cnc7cc(C)c(C)cc76)[C@@H]1O)[C@H]5CC(N)=O)N4[Co+]C#N)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O
0,0,0,,1,0,0,0,0,,1,0,TOX621,CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
0,0,1,0,1,0,0,0,0,0,0,0,TOX620,COP(=S)(OC)Oc1ccc(SC)c(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX622,[Fe+3]
0,0,0,0,0,0,0,1,0,0,0,0,TOX625,CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
0,0,1,,,0,0,,0,0,,0,TOX629,O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX628,CN(C)C(=O)Nc1cccc(C(F)(F)F)c1
0,0,0,,,0,,,0,,,0,TOX12572,C#CCC1=C(C)[C@H](OC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1=O
0,,0,1,,,,1,0,0,1,,TOX12573,CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1
0,0,0,0,0,0,,0,0,0,,,TOX6519,CCCCOC(=O)c1ccccc1C(=O)OCC(CC)CCCC
0,,0,0,0,0,,1,0,0,1,1,TOX25409,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX25405,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21
0,0,0,0,0,0,0,,0,,0,0,TOX14669,C#CCN1CC(=O)N(COC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1=O
0,,1,1,,0,0,,0,1,,1,TOX4151,C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX14664,COCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14665,CC(C)C1(C)N=C(c2ncccc2C(=O)O)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX199,CCBr
,,0,0,,0,0,0,0,0,0,0,TOX198,ClC(Cl)Br
0,0,0,,0,0,0,0,0,1,1,0,TOX193,O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX190,O=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21
0,0,0,1,0,0,,1,,0,1,0,TOX197,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
0,0,0,0,0,0,0,0,0,0,0,0,TOX3143,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12
1,0,0,0,0,0,0,0,0,0,0,0,TOX22424,Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX3146,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
0,,,0,0,0,0,,0,,,0,TOX3145,CC1(C)C(/C=C\C=C/C=C\C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21
,,,,,,,0,,0,,,TOX3148,CNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I
0,,,,,0,,,0,,,1,TOX3638,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5COC(c6cccs6)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
0,0,0,,0,0,0,0,0,0,,0,TOX29295,CCCC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,,0,TOX29293,COCC(O)CO
0,0,0,,,0,0,0,0,0,,0,TOX24663,CC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccccc3)c(O)c12
0,1,0,1,,0,,,,0,1,0,TOX23765,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
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0,0,0,0,0,0,0,0,0,0,0,0,TOX7640,O=C(O)CC(O)C(=O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX7647,C=C(C)C(=O)OCCC[Si](Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX14936,COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24768,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
0,1,0,1,0,1,0,1,1,0,1,1,TOX10636,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24769,CC(C=O)Cc1ccc(C(C)C)cc1
0,0,0,,,0,,1,,1,0,0,TOX21409,O=C(CCl)Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21403,COc1ccc(OC)c(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21400,CCCCC(CC)(CO)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX21404,Cc1cc(O)c(Cl)cc1C
0,0,0,,0,0,0,,0,,,0,TOX27462,CC1=CCC2C(C1)C2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27461,Nc1cccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27466,CC(C)OCCO
1,,0,,0,0,0,0,0,0,0,0,TOX27464,CCc1nccnc1C
0,0,0,0,0,0,0,,0,0,,0,TOX27465,CC(C)c1ccc2ncccc2c1
0,0,,,0,0,0,0,0,0,0,0,TOX27468,Cc1cccc(C(C)(C)C)c1O
0,0,0,0,0,0,0,0,0,0,,0,TOX27469,CN(C)CCCN(C)C
,,,,,,,1,,0,,,TOX31587,O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1
,,,,,,,0,,0,,,TOX31584,O=[N+]([O-])c1cncn1CCN1CCOCC1
,,,,,,,0,,0,,,TOX31585,Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O
,,,,,,,0,,0,,,TOX31582,CCOC(=O)C(=O)CCc1ccccc1
,,,,,,,0,,0,,,TOX31583,CCOC(=O)C(=O)c1csc(NC=O)n1
,,,,,,,1,,0,,,TOX31580,CO/N=C(\C(=O)O)c1csc(NC(=O)CCl)n1
,,,,,,,0,,0,,,TOX31588,CCN1CCCC1CNC(=O)C(O)(c1ccccc1)c1ccccc1
,,,,,,,0,,0,,,TOX31589,CCN(CC)CC(=O)Oc1ccc(NC(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5469,CC(C)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX5461,C=C(C)C(=O)OCC(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX5466,C=C(C)C(=O)OCCCCCCCC(C)C
0,0,,0,0,0,0,,0,0,,0,TOX5465,CC(C)CCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1
0,0,,,1,0,0,0,0,0,,0,TOX5464,O=C=NC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2948,COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1
0,0,,0,0,0,0,0,0,0,0,0,TOX5722,CC(=O)c1cccc([N+](=O)[O-])c1
0,0,,0,0,0,0,0,0,0,0,0,TOX5723,CC(=O)c1ccccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX5724,CC(=O)c1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5725,Nc1cccc([N+](=O)[O-])c1
0,0,,,0,0,0,,0,,1,0,TOX26849,CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1
0,0,,,0,0,0,0,0,0,,0,TOX26842,COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
0,0,1,1,0,0,0,,0,,0,0,TOX26841,COc1ccc2c(=O)c(C)c(-c3ccccc3)oc2c1CN(C)C
0,0,0,0,0,0,,0,0,0,,0,TOX26847,CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
0,0,0,,0,,0,,0,,,,TOX26845,CC(CN1c2ccccc2Sc2cccnc21)N(C)C
0,,0,,0,,,,,,,,TOX26844,COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5661,C=C(C)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12891,O=C(Cl)c1c(Cl)cccc1Cl
0,0,0,0,0,0,0,,0,0,,0,TOX22171,CCCCCCCCCCCCN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22170,C1CN(CCOCCN2CCOCC2)CCO1
0,0,0,0,1,0,0,0,0,0,0,0,TOX6285,COc1ccc(C=O)cc1OC
0,0,0,0,,0,0,0,0,0,,0,TOX20112,CCCCCCC(=O)OCC
0,0,0,0,0,0,0,,0,0,0,0,TOX20111,CCCC(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX20110,CCOC(=O)CC
0,0,1,0,0,0,0,,0,0,0,0,TOX20115,Sc1nnc(S)s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20114,C=CC(=O)NC(C)(C)C
0,,0,0,,0,0,,0,1,,0,TOX20449,[Cu+2]
0,0,,,1,0,0,0,1,0,,,TOX5093,COc1ccc(Nc2ccc(OC)cc2)cc1
0,0,1,0,1,0,0,0,0,0,,0,TOX14324,CCOP(=S)(OCC)O/N=C(\C#N)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5096,COC(=O)CCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5094,COCCOC(=O)c1ccccc1C(=O)OCCOC
0,0,,,0,0,0,,0,,,0,TOX28809,COc1cc(CCN)c(OC)cc1Br
0,0,0,1,0,0,,,0,0,,0,TOX28808,COc1cc(C[C@@H](C)N)c(OC)cc1Br
0,0,,0,1,0,0,,0,0,,0,TOX28801,Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX28800,C=CCC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O
0,0,,0,0,0,0,0,0,1,0,0,TOX28803,CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13
0,0,1,0,0,0,0,,0,,,0,TOX28802,CCC(N)Cc1c[nH]c2ccccc12
0,0,0,1,0,0,0,0,0,0,0,0,TOX28805,COc1cc(CCN)cc(OC)c1OC
0,,1,,,0,,,1,,,1,TOX28804,CCCSc1cc(OC)c(CCN)cc1OC
0,0,0,0,0,0,,,0,,,0,TOX28807,COc1cc(C[C@H](C)N)c(OC)cc1Br
0,0,0,0,0,0,,0,0,0,0,0,TOX28806,COc1cc(CC(C)C)cc(OC)c1OC
0,0,1,0,0,0,0,0,0,0,1,0,TOX1391,Cc1ccc(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX1390,ClCC(Cl)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1393,OCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1392,OCCN(CCO)CCO
0,0,1,0,0,0,0,0,0,0,0,0,TOX5486,CC(C)NCC(O)c1ccc(O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1398,Cc1cc(C)c(N)cc1C
0,0,,,,0,,1,0,0,1,,TOX14497,CC1(C)CCC(Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
0,,,,0,0,,,0,1,1,,TOX12523,O=c1[nH]sc2ccccc12
0,0,1,0,0,0,0,0,0,0,1,0,TOX1170,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4413,CC(=O)Nc1ccccc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4412,CC(=O)Nc1cccc(C)c1
0,0,0,,0,0,0,0,0,0,,0,TOX1175,CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(OCCO)C1OC(OCCO)CC1OCCO
0,0,1,0,0,0,0,0,0,0,,0,TOX1174,Brc1cc(-c2ccc(Br)c(Br)c2Br)cc(Br)c1Br
0,0,0,0,0,0,0,0,0,,0,0,TOX1179,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1
0,0,1,0,,0,,1,,0,,0,TOX12525,COc1ccc(-c2ccccc2)cc1NNC(=O)OC(C)C
0,0,0,,0,0,0,0,0,1,0,0,TOX2159,C=CCCCCCCC=C
0,,,0,,0,1,1,0,1,1,,TOX2153,CCCC[Sn](CCCC)(CCCC)CCCC
1,0,0,0,,0,0,1,0,0,1,,TOX13562,CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13564,CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2[C@H](O)C1
0,0,0,0,1,0,0,1,0,0,0,0,TOX13566,Cl[In](Cl)Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX24724,O=CO[AlH3](OC=O)OC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24725,CCCCOC(=O)CO
0,0,0,0,0,0,0,,0,,0,0,TOX17672,CCCC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24720,Cc1ccnc(N)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX24721,CN(C)C(C)(C)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX24722,CC(=O)CC(=O)Nc1ccc(S(=O)(=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24723,CC(=O)O[AlH3](O)O
0,0,0,0,,0,0,0,0,0,0,0,TOX3825,[As]#[In]
0,0,0,0,0,0,0,0,0,0,0,0,TOX3826,CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1
0,0,,0,0,0,0,0,0,0,0,0,TOX25883,CN(C)CCCO[C@H]1[C@@H](C(O)CO)O[C@@H]2OC(C)(C)O[C@H]12
0,0,0,0,0,0,0,0,0,0,,0,TOX25880,CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22406,COS(=O)(=O)[O-]
0,0,,0,,0,0,0,0,0,,,TOX25886,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28119,CCCCC(CC)COC(=O)/C=C/c1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX18831,COCCOC(=O)CC#N
0,0,0,0,0,0,0,0,0,0,,0,TOX18830,CCCC(=O)OC(C)(C)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1767,COC(C)=O
0,,0,,,1,,,0,,1,,TOX28117,ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX24603,N#CCCN(CCO)CCO
0,0,0,0,0,0,0,,0,,,0,TOX25360,CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
0,0,,,0,0,0,0,0,0,0,0,TOX24600,OCC1CC=CCC1
0,,1,,0,0,,,0,,1,0,TOX383,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
0,0,0,0,0,0,,0,0,,1,,TOX381,CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
0,0,0,0,,0,0,,0,0,0,0,TOX21234,N#CCCCC(C#N)CCC#N
0,0,0,0,0,0,0,0,0,0,,0,TOX21237,CC1=CC=C(C(C)C)CC1
0,0,0,0,,0,0,0,0,0,,0,TOX21230,COc1nc(C)nc(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21232,CC(C)c1cc(C(C)C)cc(C(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21238,NCC1CCCC(CN)C1
0,,1,,,0,,1,0,0,1,,TOX14634,O=C(Nc1ccccc1)Nc1ccnc(Cl)c1
0,0,1,0,1,0,0,0,0,0,1,0,TOX6706,c1ccc(OCCOc2ccccc2)cc1
0,,1,,1,0,,,1,,,,TOX26358,CN(C)C(=O)CCSC(SCCC(=O)[O-])c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX11956,CCCNC(C)C(=O)Nc1ccccc1C
0,0,0,0,0,0,0,,0,,,0,TOX26615,COS(=O)(=O)[O-].C[N+]1(C)CCCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1
0,0,0,0,,0,0,,0,,,1,TOX26352,C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O
,,,,,,,0,,0,,,TOX26351,CN1CCC[C@@H]1c1cccnc1
0,,0,1,,,0,,0,1,,,TOX26619,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
,,,,,,,0,,0,,,TOX26821,CCCC1CCCCN1
0,0,1,1,0,0,0,1,0,1,,0,TOX4259,CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc21
0,0,0,0,0,0,0,,0,1,0,0,TOX26820,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC
,,,,,,,1,,1,,,TOX31434,COC(=O)c1nc(Cl)c(Cl)nc1N
,,,,,,,0,,0,,,TOX28904,CC(=O)OCC[N+](C)(C)C
0,0,0,0,,0,,1,0,1,,0,TOX14089,CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@H]2CC1
,,,,,,,0,,0,,,TOX20948,O=C([O-])CCCc1ccccc1
0,0,0,0,0,0,0,,0,1,0,0,TOX24938,C=C[Si](OC(C)=O)(OC(C)=O)OC(C)=O
0,0,,0,,0,0,,0,,,,TOX26472,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26471,CC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26476,O=C([O-])c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX26475,COc1cc(C(=O)N2CCCCCCC2)cc(OC)c1OC
0,0,0,0,,0,,,,,1,,TOX28908,CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24934,CN1C(=O)N(C)C(O)C1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24932,CC(C)c1ccc(S(=O)(=O)O)cc1
0,0,,,1,0,0,0,0,0,,0,TOX4625,c1ccc(SCCSc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4621,COCCOCCOC
0,0,0,,,0,0,,1,0,1,1,TOX8038,CCCCNC(=O)OCC#CI
0,0,0,0,0,0,0,0,0,0,0,0,TOX21273,O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1
0,,0,0,0,0,0,0,0,0,,0,TOX4628,NC(=O)NNC(N)=O
0,0,0,,,0,0,1,0,0,0,0,TOX4629,COC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)\C=C/C(=O)O
,,,,,,,0,,0,,,TOX31448,Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
,,,,,,,0,,0,,,TOX31443,CCC(CC)(CNC(=O)CCCO)c1cccc(OC)c1
,,,,,,,1,,0,,,TOX31442,COc1ccnc2c1CCCCC2S(=O)c1nc2ccccc2[nH]1
,,,,,,,0,,0,,,TOX31441,CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O
,,,,,,,1,,0,,,TOX31440,CCCc1ccc(OCC(=O)N2CCN(C(=O)COc3ccc(CCC)cc3OC)CC2)c(OC)c1
,,,,,,,0,,0,,,TOX31446,CCC(=O)N(c1ccccc1)C1CCNCC1
0,,0,,,,,,,1,,,TOX21274,O=C1C=CC(=O)N1c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28720,CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1
0,0,0,0,0,,,,0,1,1,,TOX20619,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
0,0,,0,0,0,0,,0,,0,0,TOX20617,COc1cc(S(C)=O)ccc1-c1nc2ncccc2[nH]1
0,,0,,,,0,1,0,,1,0,TOX20611,COCCCCCCCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27197,CC(=O)OC1C2(C)CCC(C2)C1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX28472,O=S(=O)([O-])[O-].[Li+].[Li+]
0,1,0,0,0,1,,1,0,1,1,0,TOX28473,O=Cc1c2ccccc2c(Cl)c2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX28474,CCCCCBr
0,0,1,0,1,1,0,1,0,0,1,0,TOX29302,CCCC[n+]1ccc(C)cc1
0,0,1,0,0,0,0,0,0,0,0,1,TOX24112,COC(=O)Nc1nc2cc(S(=O)c3ccccc3)ccc2[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28726,CCN1C(=O)c2ccccc2C1Nc1ccc(OCCN2CCCCC2)cc1
0,0,0,1,0,0,0,0,0,0,0,0,TOX27703,O=C1CCCCCCCCCCOCCCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27702,CSSc1ccoc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27701,Cc1occc(=O)c1OC(=O)C(C)C
0,0,0,,0,0,0,,0,0,1,0,TOX27700,CCCc1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27706,CCC(=O)OCc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27704,CCCC1CCOC(C)S1
0,,1,0,,0,,,0,,1,,TOX28614,Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl
0,0,0,0,0,0,,,0,,0,0,TOX28615,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
0,,0,,,,,1,1,1,0,1,TOX28616,CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
0,0,0,0,,0,,0,0,0,,0,TOX28617,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
0,,1,,,0,,,1,0,0,,TOX28611,CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21
1,1,0,,,0,0,0,0,0,0,0,TOX28612,CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@@]21C
0,,0,0,0,0,,,0,0,,,TOX28618,CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)CC2S(=O)(=O)C1(C)C
0,0,0,0,0,0,0,1,0,0,0,0,TOX2707,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
,,,,,,,0,,0,,,TOX2704,Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1615,CS(=O)(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1617,Cc1cccc(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1610,O=C(O)c1cccc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1618,Cc1ccc(C(=O)O)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX25640,CCC(C(=O)OCCN(CC)CC)c1ccccc1
1,1,0,,,0,0,0,0,0,0,0,TOX25642,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
0,,1,0,0,,,,1,0,1,0,TOX25645,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
1,1,,,0,0,0,,0,0,0,0,TOX25647,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
,,,,,,,0,,0,,,TOX25648,NC/C=C/C(=O)O
0,0,0,0,0,0,0,0,0,0,1,0,TOX6494,Cl[Si](Cl)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5286,COCCOC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5285,CCOCCOCC
0,0,,0,0,0,0,0,0,0,1,0,TOX978,O=[N+]([O-])c1cccc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX13179,O=C(O)CCC(=O)C(=O)O
0,0,0,0,0,0,0,1,0,0,,0,TOX603,S=C([S-])NCCNC(=S)[S-]
0,0,0,0,0,0,0,0,0,0,,0,TOX602,O=C1NCCN1
0,0,0,0,0,0,0,1,0,0,0,0,TOX977,C[N+](=O)[O-]
,,,,,,,0,,0,,,TOX976,C[N+]([O-])(CCCl)CCCl
0,0,0,0,0,0,0,0,0,0,,0,TOX607,CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
0,0,0,0,0,0,0,0,0,0,1,0,TOX970,O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX605,CCCCC(CC)CO
0,0,0,0,0,0,0,1,0,0,0,0,TOX12552,CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1
0,0,0,1,1,0,0,0,0,0,1,0,TOX12553,CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
0,,1,1,,1,1,,0,1,,1,TOX12551,O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX12556,COC(=O)CSc1cc(/N=c2\sc(=O)n3n2CCCC3)c(F)cc1Cl
0,0,0,,0,0,0,0,0,0,,0,TOX12554,CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
0,0,0,0,0,0,0,1,0,0,,0,TOX12555,C#CCN1C(=O)COc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21
0,0,0,0,0,0,,0,0,,1,0,TOX12559,CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX25464,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12
0,0,0,0,0,0,0,,0,0,0,0,TOX25466,CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
1,1,0,,0,0,0,,0,,0,0,TOX25460,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C
0,0,0,0,0,0,0,,0,,0,0,TOX25463,CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
0,0,0,0,0,0,0,,0,,,0,TOX25399,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX9059,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,,,,,,1,1,,1,1,,TOX24796,C=CC(=O)O[Sn](CCCC)(CCCC)CCCC
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0,0,0,0,0,0,0,0,0,0,0,0,TOX1948,CNC(=O)Oc1ccccc1OC(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX1949,C#CC(C)(C)O
0,0,0,1,0,0,0,0,0,0,0,0,TOX1946,CCCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1947,CCCCCCCCCCCCCO
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0,0,0,0,0,0,0,0,0,0,0,0,TOX1941,CCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1943,CCCCCCCCCC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX7728,CCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7729,CC12CCCC=C1C(=O)OC2=O
0,0,,0,0,0,0,0,0,,1,,TOX7721,CC(C)(c1ccccc1)c1ccc(Nc2ccc(C(C)(C)c3ccccc3)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3611,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
1,1,0,0,1,0,0,0,0,0,0,0,TOX4397,CC(=O)CC(=O)Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4394,CC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4395,CC(=O)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4392,CC(=O)Nc1ccc(C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4399,CC(=O)C(C)O
0,0,,0,1,1,0,0,0,0,0,0,TOX7620,COc1ccc(NC(C)=O)cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7625,CCCCC(CC)COC(=O)c1ccc(C(=O)OCC(CC)CCCC)cc1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX21396,CCC(C)S
0,0,0,,0,0,0,1,0,,0,,TOX26285,O=C(CCN1CCC(c2ccccc2)C1)c1ccc2c(c1)OCCO2
0,0,1,,,0,0,,0,1,1,,TOX26284,O=[N+]([O-])c1ccc(O)c2ncccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX26286,CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
0,0,0,0,0,0,0,,0,,0,0,TOX26280,O=C(COc1ccc(Cl)cc1)OCCNC12CC3CC(CC(C3)C1)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX26282,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O
0,0,,0,0,,0,0,0,0,1,0,TOX26289,CCOC(=O)c1c(C)n(C)c2ccc(O)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX26288,CN1CCN(C(=O)C2CCCCC2)CC1
,,0,,0,,0,0,0,,0,0,TOX5447,ICCc1ccccc1
0,,0,,0,0,0,,0,0,,0,TOX5440,NCCCNCCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX5449,O=[N+]([O-])c1cccc(I)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6935,CCCCCCCCCCCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,,0,TOX6932,C=CCCCCCCCCCCCCCCCC
,,,,,,,0,,0,,,TOX6933,CCCCCCCC/C=C\CCCCCCCCN
0,0,,0,0,0,0,,0,0,0,0,TOX24689,COc1ccc(NC(=O)CC(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9149,CCCCCCCCCCCCCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX9145,COC(=O)CC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX9146,CN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9143,CCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5709,[Ni+2].c1cc[cH-]c1.c1cc[cH-]c1
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0,0,,0,0,0,0,,0,,0,0,TOX26863,O=C(C[C@@H]1NCCC[C@H]1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O
0,,0,0,0,,,,0,,,1,TOX26862,C/C(=C\c1csc(C)n1)C1C[C@@H]2O[C@]2(C)CCC[C@H](C)C(O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
0,,0,,,0,0,,0,,,,TOX26865,Clc1cc(Cl)c(OCC#CI)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX26864,N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
0,0,,,,1,0,,0,,,,TOX26867,O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX26866,CCCCC[C@@H](O)C1C(=O)OC(C)[C@H](O)C=CC=CC=CC=CC=C(C)C(O)C(O)C(O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O
0,0,1,0,0,0,0,,0,,0,0,TOX26869,CNC(C)CCC=C(C)C
0,0,,0,0,0,0,,0,,0,0,TOX26868,NC(=S)NS(=O)(=O)c1ccc(N)cc1
0,0,1,,,0,0,1,1,1,,0,TOX22154,CN(C)c1ccc(/N=N/c2ccccc2C(=O)O)cc1
0,0,1,,,0,0,0,0,0,0,0,TOX22157,CON(C)C(=O)Nc1ccc(Br)cc1
0,,0,,0,,1,1,,1,0,1,TOX21141,CO[C@H]1[C@H]([C@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2
0,0,,0,0,0,0,,0,,0,0,TOX3729,CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I
0,0,1,0,0,0,0,0,0,0,0,0,TOX20130,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21
0,0,,1,,0,0,0,0,0,1,0,TOX14303,CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
0,,0,,1,1,0,1,,1,,1,TOX28869,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1
1,0,0,0,,1,0,,0,,0,0,TOX28868,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28867,c1cnc2cc3c(cc2n1)C1CNCC3C1
0,0,0,0,,0,0,1,0,0,0,0,TOX28861,CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2cccs2)CC1
0,0,0,0,0,0,,0,0,0,0,0,TOX28860,CCC(=O)N(c1ccccc1)C1CCN(CC(O)c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX1379,Nc1c(Cl)cc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1378,O=C(O)C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1377,FC(F)(Cl)C(F)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1375,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
0,,1,,1,,,,1,,0,1,TOX1373,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
1,0,1,,,0,0,1,1,,1,0,TOX1372,Nc1ccc(Oc2ccc(N)c(N)c2)cc1
0,0,0,,,0,0,1,0,0,1,0,TOX17539,O=S1OC[C@@H]2[C@H](CO1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl
0,,0,0,0,0,0,,0,0,1,0,TOX4479,Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
0,0,1,,1,0,0,0,1,0,,0,TOX4478,Cc1cc2nc(N)sc2cc1C
0,0,1,0,0,0,,1,0,0,,1,TOX4473,Nc1cc(Cl)ccc1O
0,0,,,0,0,,1,0,0,1,0,TOX4471,Nc1cc(Cl)c([N+](=O)[O-])cc1O
,,1,0,0,0,0,1,0,0,1,0,TOX4470,Nc1nc2c(Cl)cccc2s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1117,Cc1cc(=O)n(-c2ccccc2)n1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1116,CCOc1ccc(NC(C)=O)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX4474,Nc1cc(Cl)cc(S(=O)(=O)O)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2138,CC/C=C/CCO
0,0,0,0,0,0,0,0,0,1,0,0,TOX2131,c1ccc(SSc2ccccc2)cc1
0,0,,,,0,0,0,0,0,0,0,TOX2133,CCOC(=O)c1cccc(N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2137,CC/C=C\CCO
0,0,0,,0,0,0,,0,0,0,0,TOX13096,O=C(O)CNC(=O)c1ccc(CO)o1
0,0,1,0,0,0,0,0,0,0,,0,TOX24709,COc1ccc(OC)c(NC(=O)CC(C)=O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3846,COP(=O)(NC(C)=O)SC
0,0,,0,0,0,0,0,0,0,0,0,TOX3845,C1=Cc2cccc3cccc1c23
0,0,0,,0,0,0,0,0,0,0,0,TOX24702,ON(Cc1ccccc1)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24703,N#Cc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24252,CC(C)CCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24701,COC(=O)c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX24706,NCCN1CCNC1=O
0,0,,1,,,0,,,,1,,TOX23952,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1
0,0,0,0,0,0,0,,0,0,,0,TOX23950,O=S(=O)([O-])c1cc(O)c(O)c(S(=O)(=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX18818,COC(C)(C)CCCC(C)CC=O
0,0,0,,,0,0,0,0,0,,0,TOX18814,NC(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,,TOX13896,ClP(Cl)(Cl)(Cl)Cl
0,,1,,1,0,0,0,0,0,0,0,TOX13326,CCC(Cl)CC(Cl)C(Cl)C(Cl)C(Cl)C(C)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX18810,C=C[Si](C)(C)O[Si](C)(C)C=C
0,0,1,0,0,0,0,0,0,0,,0,TOX18813,NNC(=O)c1cccc(C(=O)NN)c1
0,1,0,,0,0,,,,1,,1,TOX28130,O=[N+]([O-])C=Cc1ccccc1
0,0,0,0,,0,,,0,0,,0,TOX21910,CCOP(=O)(Sc1ccccc1)Sc1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX3265,CN1CCCCC1CCN1c2ccccc2Sc2ccc(S(C)=O)cc21
0,0,0,1,0,0,,,0,,,0,TOX3262,c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX3261,CCCC(C)(COC(N)=O)COC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3269,Cc1cc(C)cc(OCC2CNC(=O)O2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13401,O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX25079,O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ba+2]
0,0,0,0,0,0,0,,0,,0,0,TOX25078,O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX25072,O=S(=O)(O)c1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4896,CNC.O=C(O)COc1ccc(Cl)cc1Cl
0,0,0,0,1,0,0,0,0,0,0,1,TOX2877,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4890,Cc1ccc(C(C)(C)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6729,CCCC(=O)OC(=O)CCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6728,CC(C)=CCC/C(C)=C\CO
0,0,0,0,0,0,0,1,1,0,1,0,TOX5091,COc1cc(-c2ccc(N)c(OC)c2)ccc1N
0,0,,0,0,0,1,1,0,0,0,0,TOX6725,CCCCCCC(O)CCCCCCCCCCC(=O)O
0,0,0,,0,0,0,,0,,,,TOX6724,CCCCOC(=O)/C=C\C(=O)OCCCC
0,0,0,0,1,1,0,0,0,0,0,0,TOX6727,CC(C)=CCC/C(C)=C/CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6726,CC(C)=CCCC(C)CCO
0,0,0,,,0,,,,,1,0,TOX15491,CCCCCCCC[N+](C)(C)CCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX29378,CCCCON=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX20724,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
0,0,0,0,,0,0,0,0,0,0,0,TOX26678,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX29371,C1CS1
0,0,0,0,0,0,0,1,0,0,,0,TOX29373,O=C(C(=O)c1ccco1)c1ccco1
0,0,0,0,1,1,0,0,0,0,0,0,TOX26670,CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX29375,CNC[C@H](O)c1ccc(O)c(O)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX26673,N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O
0,0,1,1,,0,0,1,0,0,1,0,TOX4270,CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4272,CSc1nc(NC(C)C)nc(NC(C)C)n1
0,0,,,,0,,,0,,0,1,TOX4274,CC(C)N(C(=O)CCl)c1ccccc1
0,0,0,,0,0,,0,1,0,,1,TOX804,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
0,0,0,0,1,1,0,,0,,1,0,TOX20965,C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@]3(C)[C@H]1CC2
0,0,0,0,0,0,0,1,0,0,0,0,TOX26490,C=CCc1cc(OC)c(O)c(C(=O)NCCO)c1
,,,,,,,,,0,,,TOX26492,CCN(CC)CCNC(=O)C1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C.O=C(O)CC(O)C(=O)O
0,0,0,0,0,0,0,,0,,,0,TOX26494,CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O
0,0,0,,0,0,0,0,0,0,0,0,TOX26495,Cn1c(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)cc(=O)n(C)c1=O
0,1,0,,,,0,,1,,1,1,TOX26497,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
0,0,0,0,0,0,0,,0,,0,0,TOX26498,O=C(CS(=O)C(c1ccccc1)c1ccccc1)NO
0,0,0,,0,0,0,0,0,0,,0,TOX26499,CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1Cl
0,0,0,0,0,0,,1,0,0,,0,TOX10773,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
0,1,0,,,,,,0,1,1,,TOX10777,Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
0,0,,0,0,0,0,0,0,0,0,0,TOX27126,CCOC(=O)c1ccccc1OC
0,0,0,0,1,0,0,0,0,0,0,0,TOX27124,CCCCCCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX29090,CCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX4640,Brc1ccc(-c2ccccc2)cc1
0,0,,,0,0,0,,0,,0,0,TOX4641,OCC(CBr)(CBr)CBr
0,0,0,0,0,0,0,1,0,0,,0,TOX4642,O=C(O)C(Cl)Br
0,0,,0,0,0,0,0,0,0,0,0,TOX4644,O=C(O)C(Cl)(Cl)Br
0,0,1,0,,0,0,1,0,0,1,0,TOX4646,Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX29095,NC(CCC(=O)O)C(=O)O
,,,,,,,,,0,,,TOX31460,Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
,,,,,,,0,,0,,,TOX31463,CC(C)C(=O)Nc1cccc(C(F)(F)F)c1
,,,,,,,0,,0,,,TOX31465,CCCCC(O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O
,,,,,,,0,,0,,,TOX31469,COc1cc2c(cc1OC)C(=O)CC2
,,,,,,,0,,0,,,TOX31468,O=c1[nH]c2ccccc2n1C1CCNCC1
0,0,0,0,,0,0,0,0,0,0,0,TOX29096,OCCCCCCCl
0,0,0,0,0,0,,1,0,0,0,0,TOX21619,COC(=O)C(C)N(C(=O)Cc1ccccc1)c1c(C)cccc1C
,,,,,,,,,0,,,TOX31553,O=c1[nH]c2cc(Cl)ccc2n1C1CCNCC1
0,0,0,0,0,0,0,,0,,0,0,TOX21611,CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21610,O=C[C@@H](O)[C@H](O)[C@H](O)CO
0,,1,,,0,,1,,1,1,1,TOX21617,O=C(Nc1cccc(Cl)c1)OCC#CCCl
0,0,0,0,,0,0,0,0,0,0,,TOX24137,CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2
0,0,0,0,0,0,0,,0,,0,0,TOX24130,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27725,c1ccc2c(c1)sc1ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX27729,Oc1ccccc1F
0,0,0,0,0,0,0,0,0,0,0,0,TOX27728,Fc1ccccc1-c1ccccc1
0,0,0,,,0,,,0,,,,TOX19336,C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1584,CC(C)=CC(=O)C=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1585,CC(C)(CCC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1586,CC(=O)CCC=C(C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1581,CC(C)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1583,CC(=O)C(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9353,CC(=O)C1=C(C)[C@@H]2C[C@]3(C1)[C@@H](CC[C@H]3C)C2(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX9608,C=COCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9607,C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9606,CC(C)=CC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6125,CC(C)(C#N)C(C)(C)C#N
0,0,1,,,0,,1,0,0,0,0,TOX6124,CN(C)c1ccc(N(C)C)cc1
,0,0,0,0,0,0,0,0,0,0,0,TOX6122,CN(C)CCN(C)C
0,0,1,0,0,0,0,0,0,0,,0,TOX6120,Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX5117,CSSC
0,0,0,0,1,1,0,,0,,0,0,TOX2727,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O
0,,,,,0,,,0,,,,TOX5114,CC(C)CC(C)Nc1ccc(Nc2ccccc2)cc1
0,0,0,0,,0,,,0,,1,,TOX2721,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O
,,0,0,,0,0,0,0,0,,0,TOX5112,CC(C)C(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX5111,CCC(C)(C)C
0,0,,0,,0,,,,,1,,TOX2722,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1638,CC(Cl)(Cl)[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX1639,CCCCCCCCC=O
0,0,0,0,,0,0,0,0,0,0,0,TOX1636,CC(C)C(=O)O
0,0,,,0,0,0,1,,0,1,,TOX1637,O=[N+]([O-])C(Br)Br
0,0,0,0,1,0,0,0,0,0,0,0,TOX1634,CCC(C)C(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1635,CC(C)C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1632,CC(CCC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1633,CCCC(C)C(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX1631,Cc1cc(N)no1
,,,,,,,0,,0,,,TOX25666,N=C(N)NN=Cc1c(Cl)cccc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX25665,O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
0,0,0,0,0,0,0,,0,0,0,0,TOX25662,C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C
0,0,0,,0,0,,,0,0,,0,TOX25663,CNCCCCOc1ccccc1Cc1ccccc1
0,0,1,0,0,0,,0,0,0,,0,TOX25660,Cc1ccc2c(c1)c1c3n2CCNC3CCC1
0,,,0,,,0,,0,0,,0,TOX25661,CCN(CC)CCOc1ccc(Cc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25668,CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
0,0,0,1,0,0,0,0,0,0,0,0,TOX2589,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
0,0,0,0,,0,0,0,0,0,0,0,TOX2582,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
,,,,,,,0,,0,,,TOX2585,NCCCNCCSP(=O)(O)O
1,0,0,,0,0,0,0,0,0,0,0,TOX2584,CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX2586,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24399,O=P(O)(O)c1ccccc1
0,0,,0,0,0,0,,0,0,0,0,TOX24398,C(=C/C=N/c1ccccc1)\C=C\Nc1ccccc1
1,0,0,,,0,0,0,0,0,0,0,TOX28639,CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24391,CC(C)c1ccccc1O
0,0,,,,0,0,0,0,1,0,0,TOX24390,CNC(=S)NN
0,0,0,0,0,0,0,0,0,0,0,0,TOX24393,CC(=N\O)/C(C)=N/O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24392,COc1ccc2ccccc2c1
0,0,0,,0,0,0,,0,0,,0,TOX24395,CCCCCCCCCCCCBr
0,0,0,0,0,0,0,,0,,0,0,TOX28637,CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@@H](O)CO
0,0,0,0,,0,0,0,0,0,0,0,TOX24397,O=S(=O)(O)C(F)(F)F
0,0,,0,0,0,0,0,0,0,0,0,TOX24396,COCCOCCOCCOCCOC
0,0,0,0,0,0,0,0,0,0,0,0,TOX25448,O=C(OCCOCCO)c1ccccc1Nc1cccc(C(F)(F)F)c1
0,0,0,0,1,0,0,,0,,,0,TOX22498,c1ccc([Bi](c2ccccc2)c2ccccc2)cc1
1,1,,0,0,0,0,,0,,0,0,TOX25442,Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1
0,0,0,0,1,0,0,0,0,0,0,0,TOX25441,CN1CCOC(c2ccccc2)c2ccccc2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22490,CCO[Si](C)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,,0,TOX22491,CCCCC[Si](OCC)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX480,CC(=O)OC1CC(C)OC(C)O1
0,0,0,0,0,0,0,0,0,0,,0,TOX23829,COc1ccc(N)c(OC)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX484,COc1cc(-c2ccc(N=C=O)c(OC)c2)ccc1N=C=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX7297,O=C(O)CCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7294,CCC(C)NC(N)=O
0,0,0,0,0,0,0,,0,0,0,0,TOX7295,CCSCCCl
0,,,1,,1,,1,,1,1,,TOX7292,CCCC[Sn](Cl)(Cl)CCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX7293,C=C(C)C(=O)OCC(CC)CCCC
0,0,0,0,0,0,0,,0,0,0,0,TOX7291,CO[Si](OC)(OC)OC
0,0,0,0,1,1,0,1,0,1,1,,TOX1127,CC(COc1ccccc1)N(CCCl)Cc1ccccc1
0,0,0,0,,,0,0,0,0,0,0,TOX3980,COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
0,0,,0,0,0,0,0,0,0,0,0,TOX3453,O=C1c2ccccc2C(=O)C1c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1965,Clc1ccc(Cl)c(Cl)c1
0,0,0,0,,0,0,0,0,0,,0,TOX1962,OCCN(CCO)c1ccccc1
1,0,0,0,1,0,0,0,0,0,0,0,TOX1961,O=C(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1968,CCOc1cc(C=O)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1969,COc1cc(C=O)ccc1O
0,0,,0,,0,0,1,0,0,0,0,TOX3180,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
0,,0,0,,,,,,,,,TOX3181,CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
0,0,0,0,0,0,,,0,0,,,TOX7740,CCCCC(CC)COP(=O)(O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3188,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7747,CCC(C)(C#N)/N=N/C(C)(C#N)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3678,CC(S)C(=O)NCC(=O)O
1,0,0,0,0,0,0,0,0,0,0,0,TOX3679,Clc1ccc2nsnc2c1NC1=NCCN1
0,0,0,0,0,0,0,,0,,0,0,TOX3670,O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl
0,0,1,1,,0,,,,,0,0,TOX3673,O=C(CCCN1CCC(n2c(=S)[nH]c3ccccc32)CC1)c1ccc(F)cc1
0,0,0,0,1,1,0,0,0,0,0,0,TOX3676,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
,,,,,,,,,0,,,TOX3677,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX15001,C=CCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX224,O=C1CCCO1
0,,1,,0,,,,1,1,0,,TOX226,[Cd+2]
0,0,0,0,0,0,0,0,0,0,1,0,TOX221,CC(C)(C)c1ccc(O)cc1
0,0,1,1,0,0,0,1,0,0,1,0,TOX220,CC(C)(C)c1cc(O)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX223,CC1CC(=O)O1
0,0,0,0,0,0,0,0,0,1,0,0,TOX222,CCCCNC(N)=O
0,0,,,1,0,1,0,0,0,0,0,TOX7604,CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7600,Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12
0,0,0,0,0,0,0,0,0,0,,0,TOX7603,N#CCN(CC#N)CCN(CC#N)CC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX21370,CC(O)C(CO)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21371,COCCOCCOCCOCCOCCO
0,0,0,0,0,0,0,1,0,0,0,0,TOX21372,O=C(O)c1cc(Cl)cc([N+](=O)[O-])c1Cl
0,0,0,0,0,0,0,,0,0,,0,TOX21373,CCCCCC=CCC1CC(=O)OC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21376,CCCCCCCCCCCCCN1CC(C)OC(C)C1
0,0,0,,0,0,0,0,0,0,1,0,TOX21379,COc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29142,C[n+]1ccn(CCO)c1.F[B-](F)(F)F
0,0,0,,0,0,0,0,0,0,0,0,TOX29140,CC(CC(=O)Cl)CC(C)(C)C
0,,0,,,0,,1,0,0,,0,TOX29146,CCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29337,CCCC[N+]1(C)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29144,CC[C@H](N)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX29149,Clc1ccnc(Cl)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29148,CCCC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX15266,CC/C=C\CCCCCCCCCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX8985,CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
0,0,1,,1,,0,1,0,0,,0,TOX29316,CC(=O)c1ccc2c(c1)Cc1ccccc1-2
0,0,0,0,0,0,0,0,0,0,0,0,TOX5301,CCCCC(CC)COCC1CO1
0,,0,0,0,0,0,1,0,0,1,0,TOX25636,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
0,0,1,0,,0,,,,0,1,0,TOX5930,CC(C)(C)C(=O)C1C(=O)c2ccccc2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5934,C=C(C)C(=O)OCC(C)O
0,0,,0,0,0,0,,0,0,0,0,TOX5939,CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1938,CCCCCCCCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX6918,CCCCCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6914,C=CCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6915,CCCCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6912,COCCOCCOCCO
0,0,0,,,0,0,0,0,0,,0,TOX4436,COc1cc(S(=O)(=O)[O-])c(C)cc1/N=N/c1c(O)ccc2cc(S(=O)(=O)[O-])ccc12
0,,0,,,0,,,1,,,1,TOX26807,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
1,1,,,1,1,0,,0,,0,0,TOX26806,CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
1,1,0,0,1,0,0,,0,,0,0,TOX26805,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C
0,0,1,,,,0,0,0,0,,1,TOX26804,COc1ccc(-c2nc3cc(C4=NNC(=O)CC4C)ccc3[nH]2)cc1
0,,0,0,0,0,0,0,0,0,0,0,TOX26803,Nc1nc(=O)c(Br)c(-c2ccccc2)[nH]1
0,0,,,,0,,,1,0,1,,TOX22130,c1ccc([Hg]c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX7534,C[N+](C)(C)CC(O)CCl
0,0,0,,,0,1,,0,0,,0,TOX20404,CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20151,O=C(NCNC(=O)NC1C(=O)NC(=O)N1CO)NC1C(=O)NC(=O)N1CO
0,0,0,0,0,0,0,0,0,,0,0,TOX7530,C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX24892,O=P(Cl)(Oc1ccccc1)Oc1ccccc1
0,0,0,,0,0,,,0,,,,TOX24893,CCCCCCCCC(CCCCCC)C(=O)O
0,0,,0,1,1,0,1,0,0,1,0,TOX24890,Oc1ccc(Cc2ccccc2O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24896,CO[Si](CCCn1c(=O)n(CCC[Si](OC)(OC)OC)c(=O)n(CCC[Si](OC)(OC)OC)c1=O)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24897,CCC(CO)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24894,CC(CN)CC(C)(C)CCN
0,0,,,1,1,0,,0,0,1,0,TOX24895,CC(C)(C)OC(=O)c1ccc(O)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX24898,C=Cc1ccc(OC(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24899,CC(C)CC(C)(N)C#N
0,0,0,0,,0,0,0,0,0,0,0,TOX28848,CC(=O)OC1(c2ccccc2)CCN(CCc2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9201,O=S(=O)([O-])c1ccc2cc(O)ccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9167,CNC(=S)[S-]
0,0,0,0,0,0,,0,0,0,0,0,TOX9164,CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-]
0,0,0,0,0,0,0,1,0,0,,0,TOX9162,CC1(C)C(=O)N(Br)C(=O)N1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX9160,CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1351,[SnH2+2]
0,0,0,0,0,0,0,0,0,0,,0,TOX4182,COCCO
0,0,0,,0,0,0,,0,,0,0,TOX1354,C1=CCC([Ti+2]C2=CC=CC2)=C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4185,COC(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1356,CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX4455,CC(=O)Nc1ccc(N)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX4454,CC(=O)Nc1cccc(N)c1
0,0,1,0,0,0,0,0,0,0,1,0,TOX1139,Nc1cccc(N)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX1136,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
0,0,1,,1,0,0,1,1,0,,0,TOX1131,c1ccc(Nc2ccc3ccccc3c2)cc1
0,0,1,0,0,0,0,0,0,0,1,0,TOX1130,CC1=NN(c2ccccc2)C(=O)C1
0,0,1,0,0,0,0,1,0,0,0,1,TOX4452,N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX9290,CC1=CC[C@H]2C[C@@H]1C2(C)C
0,0,0,,,0,,,0,0,0,,TOX9298,CCCCCCCCCCCCOCCOS(=O)(=O)[O-]
0,0,0,0,,0,0,0,0,0,0,0,TOX7198,CN1C(=O)c2ccccc2C1=O
0,0,0,0,,0,0,,0,0,0,0,TOX7195,CCCCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7197,COC(=O)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7191,C1=CCC=C1
0,0,,0,0,0,0,0,0,0,0,0,TOX3869,CCNc1nc(NC(C)C)nc(SC)n1
0,0,0,0,0,0,0,,0,,0,0,TOX24272,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2
0,0,0,0,0,0,0,0,0,0,0,0,TOX3862,CNC(=O)O/N=C/C(C)(C)S(C)(=O)=O
0,0,0,0,1,0,0,0,0,0,1,0,TOX28157,O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX28155,CC(C)(C)c1ccc(N)cc1
0,,0,,0,0,1,,0,0,,0,TOX28152,CCCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1
0,0,1,,,0,0,1,0,,0,0,TOX28159,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
1,0,0,,0,,0,1,0,0,0,0,TOX28158,C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
0,0,0,,0,0,0,0,0,0,0,0,TOX27646,CC(C)COC(=O)C=Cc1ccccc1
0,0,0,,1,0,0,,0,0,0,0,TOX27647,O=C(C=Cc1ccccc1)OCC=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2113,C=CC(Cl)CCl
0,0,0,0,0,,0,1,0,0,1,0,TOX2446,Oc1ccccc1Cc1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2117,NC12CC3CC(CC(C3)C1)C2
0,0,0,,1,1,,1,0,0,1,1,TOX2442,CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,1,0,0,,1,0,0,0,0,TOX2448,CCc1cccc(C)c1N(C(=O)CCl)C(C)COC
0,0,0,0,0,0,0,,0,0,0,0,TOX5329,Fc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27643,CC(O)C1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3240,CNC1(C)C2CCC(C2)C1(C)C
0,,0,0,0,0,0,,0,0,,0,TOX3243,Cc1cccc(Nc2ccccc2C(=O)O)c1C
0,0,0,0,1,0,0,0,0,0,0,0,TOX3244,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
,,,,,,,,,1,,,TOX3247,Cc1cc(O)c2ccccc2c1O
0,,0,1,,,,,0,,1,,TOX12690,COC(=O)N(C(=O)N1CO[C@@]2(C(=O)OC)Cc3cc(Cl)ccc3C2=N1)c1ccc(OC(F)(F)F)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25053,C[N+](C)(C)CCCCCC[N+](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX14729,COC(=O)C1(O)c2ccccc2-c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX28833,COc1ccc2c3c1O[C@H]1[C@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@@]341
0,0,,0,0,0,0,0,0,0,0,0,TOX14722,Cc1c(C(=O)c2cnn(C)c2O)ccc(S(C)(=O)=O)c1C1=NOCC1
1,1,,,0,0,0,0,0,0,0,0,TOX28524,CCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,,0,,0,0,TOX28525,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
0,0,0,,0,0,,,0,0,0,0,TOX24805,C1CC(COCC2CO2)CCC1COCC1CO1
0,0,0,0,0,0,0,0,0,0,,0,TOX6740,COC(=O)CCCCCCCCC(=O)OC
0,0,0,0,0,0,,,0,,,0,TOX28839,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX24807,COC(=O)CCCCCCCC(=O)OC
0,0,0,,0,0,0,1,0,1,0,0,TOX22315,CCOC(=S)[S-]
0,0,0,0,0,0,0,0,0,1,0,0,TOX24800,CCCCN(CCCC)C(=S)[S-]
0,0,0,0,0,0,0,,0,,0,0,TOX26120,O=C(CCCN1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
0,0,0,0,,0,0,,0,,,0,TOX26653,CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)[O-]
0,0,0,,1,,0,,0,,0,0,TOX26122,O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1
0,0,,0,0,0,0,,0,,,0,TOX26657,O=C1CCC(=O)N1CO
0,0,0,0,0,0,0,,0,,0,0,TOX26654,NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
0,0,0,0,0,0,0,,0,0,,,TOX26127,COc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29356,CCCCCCCCCCCCCCCCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX29357,CC1=C(C=O)C(C)(C)CC=C1
0,1,,1,1,,,,,,1,1,TOX26658,CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC
0,0,0,0,0,0,0,,0,0,0,0,TOX29355,CC(C)(C)C(=O)CC(=O)C(C)(C)C
0,0,0,,0,0,0,0,0,0,1,0,TOX29352,CCCCC/C(=C/c1ccccc1)CO
0,,,,,,,,0,1,1,1,TOX29350,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
0,0,0,0,0,0,0,,0,0,0,0,TOX29351,O=[N+]([O-])c1ccc(CBr)cc1
0,0,0,1,,,,1,1,1,0,1,TOX20980,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
0,0,1,0,0,0,0,0,0,0,0,0,TOX4216,Clc1cccc(C(Cl)(Cl)Cl)n1
0,0,0,0,0,0,0,,0,,0,0,TOX28650,CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21347,CC(C)COC(=O)COc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX21346,CCOC(=O)COc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,1,0,0,0,0,TOX24485,CCOC(=O)C=CC(=O)O
0,0,,,,0,0,,,,1,,TOX28657,CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21
0,0,0,,,,,,0,,,1,TOX17731,Oc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccccc32)cc1
0,,0,,1,1,,1,0,1,1,,TOX27939,Oc1ccc(C2(c3ccc(O)cc3)CCCCC2)cc1
0,0,,0,0,0,0,0,0,0,,0,TOX27291,Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cccnc1)C(=O)N3CC2
0,0,0,,,0,,0,0,0,,0,TOX27290,CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)cc1C
0,0,0,0,0,0,0,,0,0,,0,TOX27292,NCC1(Cc2noc(=O)[nH]2)CCCCC1
0,0,0,,,0,,,0,0,1,,TOX27295,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(N)(=O)=O)cc21
0,0,0,,,0,0,0,0,0,,0,TOX27294,CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12
0,0,0,0,0,0,0,,0,0,,,TOX27297,O=C(O)c1cccc(C[C@@H]2COc3ccc(OCc4nc5cc(F)ccc5s4)cc3[C@@H]2O)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX27299,CCOc1cccc([C@]2(N3CCN(c4ccccc4)CC3)CC[C@@H](C)CC2)c1
0,0,0,0,0,0,0,1,0,0,0,0,TOX27529,CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4661,Cc1ccc(Br)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4666,OCCCCO
0,0,0,,0,0,0,1,0,0,0,,TOX4667,C(CCOCC1CO1)COCC1CO1
,,,,,,,0,,0,,,TOX31407,C/C(=N/NC(=O)c1ccncc1)C(=O)O
,,,,,,,0,,0,,,TOX31406,COc1ccc2c(c1)CCCC2=O
,,,,,,,0,,0,,,TOX31405,O=C1CC2(CCCC2)CC(=O)N1
,,,,,,,0,,0,,,TOX31404,CCCCCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1
,,,,,,,0,,0,,,TOX31403,C/C(=N\O)[C@@H](C)NCC(C)(C)CN[C@H](C)/C(C)=N/O
,,,,,,,0,,0,,,TOX31402,CCc1cc2cc(OC)c(OC)cc2c(Cc2ccccc2)n1
,,,,,,,0,,0,,,TOX31401,CC[N+]1(CC)CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
,,,,,,,0,,0,,,TOX31400,COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O)C2
0,0,0,1,,,0,1,,0,,,TOX27931,CCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,,0,,,1,,1,,1,,,TOX24379,Cl[Au](Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21636,CC(=O)OC(C)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21639,Cc1ccc(S(=O)(=O)[O-])c(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21638,OCCCc1ccccc1
0,0,0,,1,1,0,0,0,,1,0,TOX27933,CCCCCCCCOC(=O)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29335,Cn1cnc2ncnc(N)c21
0,,1,,,0,,,,0,1,1,TOX26104,NC(=O)n1c(O)c(C(=O)c2cccs2)c2cc(Cl)ccc21
0,0,0,0,0,0,0,,0,0,,0,TOX6108,NCCNCCNCCNCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX9338,COc1ccc(Br)c(C)c1
0,,,1,,0,,1,,0,1,,TOX6101,Oc1c(Cl)c(Cl)cc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX9331,CCCCCC1=CCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6102,O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21
0,1,0,,,0,1,1,1,,0,,TOX6107,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9626,O=C[O-]
0,,0,,,,,,,,1,,TOX5139,CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
0,1,1,,1,0,,,1,1,0,1,TOX5138,CN(C)c1ccc(N=O)cc1
0,0,,0,1,1,0,0,0,0,,0,TOX29332,CC(C)(C)OC(=O)c1cccc(N)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX5130,Cc1ccc2ccccc2c1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5133,Cc1ccc([N+](=O)[O-])cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5132,Cc1cccc([N+](=O)[O-])c1C
0,0,0,0,1,0,0,0,0,0,0,0,TOX5135,Cc1ccc([N+](=O)[O-])c(C)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX5134,Cc1cccc(C)c1[N+](=O)[O-]
0,0,0,0,0,0,0,1,0,0,0,0,TOX5137,Cc1ccc(C)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5136,Cc1cc(C)cc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX21962,CCO[Si](CC)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX21964,CCOc1cc(OP(=S)(OC)OC)nc(CC)n1
0,0,,,0,,0,0,0,0,0,0,TOX21966,COP(=S)(OC)Oc1ccc(S(=O)(=O)N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1658,CCC=O
0,0,0,0,0,0,0,1,0,0,0,0,TOX1659,O=C(O)CC(=O)O
0,0,1,0,0,0,0,,0,,0,0,TOX25608,COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21
0,0,0,0,0,0,0,1,0,0,0,0,TOX1650,CC(=O)C(=O)O
0,0,,0,0,0,0,,0,,0,0,TOX25605,CC(C)(O)[C@H]1[C@@H]2C(=O)O[C@H]1[C@H]1OC(=O)[C@@]34O[C@@H]3C[C@]2(O)[C@@]14C
0,0,0,0,,,0,0,0,0,0,0,TOX1652,CCCCCCCCCCCCCCC(=O)O
0,0,1,,0,0,0,0,0,0,0,0,TOX25607,CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13
0,0,0,0,0,0,0,0,0,0,0,0,TOX25600,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX1655,CCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1656,O=C(O)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21148,O=C(O)/C=C/c1c[nH]cn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX932,O=C(O)c1cccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX937,O=[N+]([O-])[O-].[Na+]
0,0,1,,1,0,0,0,0,0,,,TOX14531,CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC
0,0,0,0,0,0,0,1,0,0,0,0,TOX939,O=C(O)CN(CC(=O)O)CC(=O)O
0,,0,,0,0,,,0,1,,0,TOX4944,N#CCCC(Br)(C#N)CBr
0,0,0,0,1,0,0,0,0,0,0,0,TOX2436,CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX25938,CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX25939,O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX25935,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21
1,1,0,1,,0,0,1,0,0,0,0,TOX25930,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1
0,,0,0,,0,0,,,,,,TOX3474,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
,,,,,,,0,,0,,,TOX3472,CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3470,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX3478,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3479,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
0,0,0,0,0,0,0,1,0,0,0,0,TOX2307,C=Cc1cccc(CCl)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX2306,CCOP(=O)(OCC)SCCSCC
0,0,0,0,0,0,0,0,0,0,,0,TOX2305,C=Cc1ccc(C(C)(C)C)cc1
0,0,0,,0,0,0,0,0,,1,0,TOX2301,CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1
0,1,,,0,0,,0,0,1,,,TOX1907,N#CCC#N
0,0,1,,1,1,,1,1,0,1,1,TOX2308,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
0,0,0,0,0,0,0,0,0,0,0,0,TOX7764,CCCCCCCCCC(=O)N(C)C
0,0,1,1,1,1,0,1,0,0,0,1,TOX3652,Nc1nc2nc[nH]c2c(=S)[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX3650,CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)cc1
0,0,0,1,0,0,0,0,0,0,0,0,TOX24518,CC1(C)C2=CCCC(C)(C)[C@]23CC[C@H]1C3
0,0,0,0,0,0,0,0,0,0,0,0,TOX21032,Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1
0,0,0,,0,0,,,0,,,,TOX3658,CN1CCN(CCC=C2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
0,0,,,,0,0,0,0,0,0,0,TOX24517,Cc1cc(N)n(-c2ccccc2)n1
0,0,0,0,0,0,0,1,0,0,,0,TOX24515,C=C(C)C(=O)OCCOCCOCCOCCOC(=O)C(=C)C
0,0,1,,,0,0,1,0,0,,,TOX21034,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
,,,,,,,0,,0,,,TOX25407,COc1ccc(CN2CCNCC2)c(OC)c1OC
0,,1,0,0,0,0,0,0,0,0,0,TOX25705,COc1ccc2c(c1)c1c3n2CCN(C)C3=NCC1
0,0,,1,,0,0,0,,0,,0,TOX6065,CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1
0,0,0,,1,1,0,1,1,0,1,0,TOX209,CCCCOC(=O)c1ccc(O)cc1
0,0,0,0,0,0,0,1,0,0,1,0,TOX207,CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
0,0,0,0,1,1,0,0,0,0,0,0,TOX205,CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
1,1,0,,0,0,0,1,0,0,0,0,TOX202,CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
0,0,0,0,0,0,0,1,0,0,0,0,TOX200,OCCBr
0,,1,0,0,0,0,0,0,0,0,0,TOX21356,O=C([O-])CCCOc1ccc(Cl)cc1Cl
0,0,0,,0,0,,,0,,1,,TOX21357,CCCCC/C=C\C=C\C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX29161,CCCCCC[n+]1ccccc1.F[B-](F)(F)F
0,0,1,0,0,0,0,1,0,0,,0,TOX29162,Clc1nnc(Cl)c2ccccc12
0,,0,,,0,0,,0,,1,,TOX21359,Cc1cc(O)c(Cl)c(C)c1Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX8683,CC(C)CCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX15286,CC/C=C/CCCCCCCCCCOC(C)=O
0,0,0,,0,0,,,0,1,0,0,TOX15285,C/C=C/C/C=C\CCCCCCCCOC(C)=O
0,0,0,0,0,0,0,,0,1,0,0,TOX15288,C/C=C/C=C/CCCCCCCO
0,1,0,,0,0,1,1,1,,0,,TOX24779,C=CC(=O)OCCCCOC(=O)C=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX11461,CCCCn1cc[n+](C)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX29298,CCCCCCI
0,1,1,0,0,,1,1,0,1,,1,TOX29297,Cc1cccc2c1cc1ccc3cccc4ccc2c1c34
0,0,0,0,0,0,0,0,0,0,0,0,TOX29296,CCCCCCCCCCCCCCCBr
0,0,1,,0,0,0,0,0,0,0,0,TOX12482,CCOP(=S)(Oc1cnc(C(C)(C)C)nc1)OC(C)C
0,0,0,,0,0,0,0,0,0,,1,TOX29294,CCOC(=O)CS
0,0,,,,,0,0,0,0,,,TOX12484,COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1
0,0,0,0,,0,0,1,0,0,0,0,TOX29292,CCCCCC[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29290,CCCOC(=O)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6689,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX6684,CCCCCCC(C=O)=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX2950,OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6457,CC(C)(C#N)/N=N/C(C)(C)C#N
1,0,0,,0,0,0,0,0,0,0,0,TOX7887,CCCCC(CC)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCC(CC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7886,CCC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)CC)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX7884,CC/C=C\C#N
0,0,0,0,0,0,0,0,0,,0,0,TOX5480,CC(C)OCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5483,CC(C)OC(=O)Cc1ccccc1
0,0,1,0,0,0,0,,0,0,1,0,TOX14885,COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
0,0,0,,,0,0,1,0,,,1,TOX5485,CC(C)Nc1ccc(Nc2ccccc2)cc1
0,0,,0,0,0,1,1,0,,1,1,TOX14881,Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6979,COP(OC)OC
0,0,0,,0,0,0,,,,1,,TOX6974,CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6975,Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5242,CCCCCCCCC1CO1
0,0,,0,0,0,0,,,,0,0,TOX26353,CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)CC(C)C
0,0,0,0,0,0,0,,0,,0,0,TOX26824,C[Se]CC[C@H](N)C(=O)O
0,0,0,0,0,0,0,,0,,,0,TOX26827,O=C(O[C@@H]1C[C@@H]2C[C@@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
0,0,0,0,0,0,,,0,,,,TOX26357,CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26356,O[C@@H]1[C@H](O)CN2CCC[C@@H](O)[C@H]12
0,0,0,0,0,0,0,0,0,0,,0,TOX2560,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
0,0,1,0,0,0,0,0,0,0,0,0,TOX22117,CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27192,CC/C=C\CC/C=C/CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27193,C=C(C)CCC[C@H](C)CCO
1,0,0,,,0,0,0,0,0,0,0,TOX27190,CCCCCCCCC1CCC(=O)O1
0,0,0,0,1,1,0,0,0,0,1,0,TOX27191,C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX5245,CCCCCCCCCCCCCCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27195,CC1CCC(C(C)(C)S)C(=O)C1
0,0,0,0,0,0,0,0,0,,0,0,TOX27198,CCCC(C)C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27199,CCCc1ccc(O)c(OC)c1
0,0,,,,1,,,1,1,,0,TOX1333,CN(C)C(=S)SC(=S)N(C)C
0,,0,,,0,,,1,1,1,0,TOX1332,CN(C)C(=S)SSC(=S)N(C)C
0,0,0,,0,0,0,1,0,,,0,TOX1331,OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO
0,0,0,0,0,0,0,1,0,0,,0,TOX1330,OC[P+](CO)(CO)CO
0,0,1,,1,0,0,0,1,0,0,0,TOX1337,c1ccc2[nH]c(-c3cscn3)nc2c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX1336,Cn1c(=O)c2[nH]cnc2n(C)c1=O
,,,,,,,0,,0,,,TOX1335,CN(C)CCN(Cc1ccsc1)c1ccccn1
0,0,0,0,0,0,0,,0,0,0,1,TOX1339,S=P(N1CC1)(N1CC1)N1CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1338,CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9105,Cc1ccc(S(N)(=O)=O)cc1
1,1,0,0,,,,,0,,1,,TOX17577,CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C
0,0,1,,0,0,0,0,0,0,0,0,TOX17576,CON(C)C(=O)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1488,O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1
0,0,0,1,0,0,0,,0,,0,0,TOX17571,COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1
0,0,1,,1,0,0,,1,0,0,0,TOX17570,CNC(=O)N(C)c1nc2ccccc2s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1485,O=C(O)c1cccc(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1484,O=C(O)c1ccccc1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1487,O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1486,O=C(O)c1cccc(C(=O)O)c1C(=O)O
0,0,,,0,0,0,0,0,0,,0,TOX17579,CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX10258,CC1CCCO1
0,0,0,0,,0,0,0,0,0,0,0,TOX6537,O=C1O[C@H]([C@H](O)CO)C(O)=C1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24210,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21
0,0,0,0,0,0,0,0,0,0,,0,TOX17617,CNC(=O)Oc1cc(C)cc(C(C)C)c1
0,0,0,0,1,0,0,0,0,0,,0,TOX24218,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C
0,0,,0,0,0,0,0,0,1,0,0,TOX25422,COc1cc(C)nc(-n2nc(C)cc2OC)n1
0,0,0,0,0,0,0,,0,,,0,TOX25356,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
0,0,0,,,,0,0,0,0,1,1,TOX2681,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX2684,Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX2685,CC[N+](C)(C)Cc1ccccc1Br
,,,,,,,,,0,,,TOX2688,CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12519,CSC(=O)c1cccc2nnsc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX28179,CCCCC1CCC(O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28178,CCC(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28175,Cc1cc(C)c(C(=O)O)c(C)c1
0,0,,0,,0,0,0,0,0,0,0,TOX28174,CCCCOc1ccc(N)cc1
0,0,0,0,0,0,0,0,0,1,0,0,TOX28176,O=C(c1ccccc1)C1CCC1
0,0,0,,,0,0,0,0,0,0,0,TOX28171,CC(C)(C)c1ccc(S)cc1
0,0,,,1,0,,1,1,0,1,1,TOX28170,CCCCCCOc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28173,CCCC1CCC(=O)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX28594,CC(=O)OC[C@H]1O[C@@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](OC(=O)c2ccccc2C(=O)O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5308,C=C(C)C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5309,CCOS(C)(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5306,CC=C1CC2C=CC1C2
0,0,0,,0,0,0,,0,0,0,0,TOX24632,COP(=O)(O)OP(=O)(O)OC
0,0,0,0,,0,0,0,0,,,0,TOX5304,CCCCC(CC)COCCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX5302,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5303,CCCCC(CC)COCCC#N
0,0,0,0,0,0,,,0,0,0,0,TOX28592,Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O
,,,,,,,0,,0,,,TOX3222,O=NN(CCCl)C(=O)NC1CCCCC1
,,,,,,,,,0,,,TOX3221,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
0,0,0,0,0,0,1,0,0,0,,0,TOX3227,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
0,0,0,0,,0,0,1,,,,1,TOX3224,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12673,COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)[O-])n1
0,0,0,0,,0,0,0,0,0,,0,TOX14270,Cc1cnc(C2=NC(=O)C(C)(C(C)C)N2)c(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14700,Cc1cc(Cl)ccc1OCC(=O)[O-]
0,,1,0,1,0,0,0,0,,,1,TOX28598,O=C(CS)Nc1ccccc1
0,0,0,0,,0,,0,0,0,,0,TOX14095,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6769,C[Si](C)(C)O[Si](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6765,C=C(C)CC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6766,CC(C)=CC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26107,COc1cc(C(=S)N2CCOCC2)ccc1O
0,0,,0,0,0,0,0,0,0,0,0,TOX29336,Cn1c(=N)[nH]c2[nH]cnc2c1=O
0,0,0,0,0,0,0,,0,,0,0,TOX26103,O=C(O)COc1ccc(CCNS(=O)(=O)c2ccccc2)s1
0,0,0,0,,0,0,0,0,0,0,0,TOX26100,COc1cc2[nH]c(=O)[nH]c(=O)c2cc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX29338,CCOC(=O)CC(=O)c1cc(F)c(Cl)nc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX29339,CCC(C=O)CC
0,0,,0,0,0,0,0,0,0,,0,TOX26109,CCCCN1CCCC1C(=O)Nc1c(C)cc(C)cc1C
0,0,1,,1,0,0,0,1,0,0,0,TOX4234,CNc1cnn(-c2cccc(C(F)(F)F)c2)c(=O)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4236,Brc1cc(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br
0,0,,0,,0,0,0,0,0,,0,TOX4942,OCC(Br)=C(Br)CO
0,0,0,0,0,0,0,,0,0,0,0,TOX4941,BrC/C=C/CBr
0,0,,,,0,,1,0,,1,0,TOX4239,CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl
0,1,0,,,0,,,0,0,1,,TOX4238,CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]
0,0,0,0,0,0,,,0,,1,,TOX28266,O=C1C(I)=CC(=C(c2cc(I)c(O)c(I)c2)c2ccccc2C(=O)O)C=C1I
0,0,0,0,1,1,0,,0,,0,0,TOX15542,CCCCCCCCCCCCCCCCCC[N+](C)(C)CCC[Si](OC)(OC)OC
0,0,0,0,0,0,0,1,0,0,0,0,TOX7418,C=C(C#N)CCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7414,CC1(C)Cc2cccc(O)c2O1
0,0,0,0,0,0,0,0,0,0,,0,TOX7416,SC1CCCCC1
0,0,0,0,,0,0,0,0,0,0,0,TOX7412,CCCCOCCOCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7413,O=S(=O)([O-])CCO
0,0,0,,0,0,0,0,0,0,0,0,TOX27508,Cc1ccc(OC(=O)c2ccccc2O)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX8028,C=CCOCC(O)CS(=O)(=O)[O-]
0,0,1,0,1,,,,0,0,,0,TOX27505,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-]
,,,,,,,0,,0,,,TOX31429,COC(=O)CCCCC(CCSS/C(CCO)=C(\C)N(C=O)Cc1cnc(C)nc1N)SC(C)=O
,,,,,,,0,,0,,,TOX31428,Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12
0,0,1,0,0,0,0,0,0,0,0,0,TOX350,COc1ccc(C)cc1N
,,,,,,,,,1,,,TOX31427,Cc1ccc([N+](=O)[O-])c2c1O[Hg]2
,,,,,,,0,,0,,,TOX31426,COc1cc(CC#N)cc(OC)c1OC
,,,,,,,0,,0,,,TOX31420,CCC(=O)O[C@]1(C(=O)COC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@@]21C
,,,,,,,0,,0,,,TOX31423,C#CC(C)(CC)OC(=O)c1ccccc1C(=O)O
,,,,,,,1,,1,,,TOX31422,CCCCCOc1ccccc1/C(=C\SC)n1ccnc1
0,1,,,,1,1,1,1,1,,1,TOX5540,CC[Hg]Sc1ccccc1C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX5542,C=C(C)C(=O)O
0,0,1,0,0,0,0,,0,0,0,0,TOX21200,CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O
0,0,0,0,,0,,0,0,,,0,TOX21201,CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
0,0,0,,0,0,0,0,0,0,0,0,TOX21656,O=C(O)c1cc(Br)c(O)c(Br)c1
0,0,,0,0,0,0,0,0,0,,0,TOX21654,CCCCC(CC)COC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24496,CCCCCC1CCCC(=O)O1
0,0,0,0,0,0,0,,0,0,0,0,TOX27768,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27764,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
1,0,,0,0,0,0,1,0,0,,0,TOX27766,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,,0,TOX27763,CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,,TOX27762,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1
0,,0,,0,1,0,,0,1,1,1,TOX18939,NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,0,0,0,1,0,0,0,1,0,TOX9315,CCC(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9317,C=CC(C)CCCC(C)(C)O
0,0,0,0,1,0,0,0,0,0,,0,TOX6167,Cc1cccc(C#N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9310,CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX1364,Cc1ccccc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX9649,NCc1cccc(CN)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5152,COC(=O)CCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5150,COP(=O)(O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5156,CNC(=O)NC
0,0,0,0,0,0,,0,0,0,,0,TOX21909,Cl[Dy](Cl)Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX25623,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
0,0,0,,,0,0,0,0,0,0,0,TOX25626,O=C(O)CCNC(=O)c1ccccc1
0,,,0,0,,0,1,1,0,0,1,TOX25625,CCCOc1ccc2[nH]c(NC(=O)OC)nc2c1
0,,1,0,0,,0,1,0,0,1,,TOX21132,Cc1cc(C)c(C=C2C(=O)Nc3ccccc32)[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX25428,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20234,Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX919,NC(=S)Nc1cccc2ccccc12
0,,1,0,0,,,0,0,0,0,0,TOX918,c1ccc2cc(Nc3ccc(Nc4ccc5ccccc5c4)cc3)ccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX913,c1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX912,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
0,0,0,0,1,0,1,,0,,0,0,TOX911,CC(C)(Oc1ccc(C2CCCc3ccccc32)cc1)C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX910,CS(=O)(=O)OCCCCOS(C)(=O)=O
0,0,1,1,0,0,0,0,0,0,,1,TOX917,NCCNc1cccc2ccccc12
0,0,1,0,,0,0,1,0,0,1,0,TOX916,Nc1cccc2c(N)cccc12
0,0,0,0,0,0,1,0,0,0,0,0,TOX915,O=C(O)Cc1cccc2ccccc12
0,0,0,0,0,0,0,,0,0,0,0,TOX914,NC(=O)Cc1cccc2ccccc12
0,0,0,0,0,0,0,,0,,0,0,TOX25954,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2096,CCCSSCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX25485,CCC1(c2cccc(O)c2)CCCCN(C)C1
0,0,0,0,1,0,0,,0,,,0,TOX25951,CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
0,0,0,0,0,0,0,0,0,0,0,0,TOX25480,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
,,,,,,,,,0,,,TOX25958,CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2
0,0,0,0,0,0,0,,0,,0,0,TOX25959,O=C(CCCCCCCCCCCCC1CCCC1)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)CCCCCCCCCCCCC3CCCC3)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25488,Nc1cc(C(Cl)=C(Cl)Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
0,,0,0,,0,0,,0,,,,TOX3413,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
0,0,0,0,0,0,0,,0,,0,0,TOX3415,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1
0,0,1,,,0,0,1,0,0,0,0,TOX3416,COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[nH]2)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3419,CC1OC(C)OC(C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24681,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX4505,Nc1ccccn1
0,0,0,0,0,0,0,0,0,0,,0,TOX24685,CCOc1ccc(OCC)c(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24684,O=C([O-])C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1
0,0,0,0,0,0,0,0,0,0,,0,TOX1672,N#CC(Cl)(Cl)Cl
0,0,1,,1,0,0,1,,0,1,0,TOX4503,Nc1nc(-c2ccccc2)cs1
0,0,,0,1,1,0,0,0,0,1,0,TOX2320,C(=C(c1ccccc1)c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1928,CCOCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1929,CCCCCCBr
0,0,,,1,,,1,0,1,1,,TOX2325,Oc1ccc(C(c2ccc(O)cc2)C(Cl)(Cl)Cl)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX2326,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
0,0,0,0,1,0,0,0,0,0,0,0,TOX1922,CCNCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1923,C1CCCCC1
0,0,0,,,0,0,0,0,0,0,0,TOX1925,C1OCOCO1
0,,0,0,0,,,0,0,,0,1,TOX7781,O=S(=O)([O-])c1ccc(Nc2nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Nc6ccc(S(=O)(=O)[O-])cc6)nc(N(CCO)CCO)n5)cc4S(=O)(=O)[O-])c(S(=O)(=O)[O-])c3)nc(N(CCO)CCO)n2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13264,FB(F)F
0,0,0,,1,1,0,0,0,0,1,,TOX24533,Clc1ccccc1-c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2007,CCCCOCCCC
0,0,0,0,0,0,0,,0,0,0,0,TOX24535,O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21
0,0,0,0,0,0,0,0,0,0,,0,TOX24534,CC(=O)Oc1ccc(C(C)=O)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX24537,CC(C)c1ccc2c(C(C)C)cc(C(C)C)c(S(=O)(=O)[O-])c2c1
0,0,,,0,0,0,1,0,0,,,TOX24538,CCN(CCC#N)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX27907,CCCCn1cc[n+](C)c1C
0,,,,,,,,,,1,,TOX27880,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX1029,CN(C)N=O
0,0,0,1,,,0,1,0,1,,,TOX27889,CCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,,,0,TOX269,CCC(Cl)CCC(Cl)C(Cl)CC(Cl)C(Cl)C(Cl)CCl
0,0,,0,0,0,0,0,0,0,0,0,TOX268,O=C(O)C1C(C(=O)O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX261,OC(O)C(Cl)(Cl)Cl
1,0,0,0,0,0,0,,0,0,,0,TOX260,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
0,0,0,0,0,0,0,1,1,0,0,1,TOX263,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX262,Nc1cc(Cl)cc(C(=O)O)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX265,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
0,,0,,,,,1,0,1,1,,TOX267,ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](CC(Cl)[C@@H]3Cl)C1(Cl)C2(Cl)Cl
0,0,1,1,,0,0,1,0,,,0,TOX29101,c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29100,CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX21487,CCC(C)(CCCC(C)C)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21484,CC/C=C\CCOC(C)=O
,,0,,,0,0,0,0,0,0,0,TOX5975,CC(C)=C1CC[C@@H](C)CC1=O
0,0,0,0,,0,0,0,0,,0,0,TOX5972,CC/C=C1/OC(=O)c2ccccc21
,,0,,0,0,0,0,0,0,0,0,TOX6161,Cc1ccccc1C(=O)O
,,,,,,,0,,0,,,TOX26594,Cc1ncc(COP(=O)(O)O)c(C=O)c1O
0,,,,,,,1,,0,,1,TOX26591,CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX6954,O=C1c2ccccc2C(=O)N1CO
0,0,,0,0,0,0,0,0,0,0,0,TOX6955,O=c1[nH]c2ccccc2c(=O)o1
0,0,,0,,0,0,0,0,0,0,0,TOX9312,O=C(O)c1ccc2cc(O)ccc2c1
0,0,0,,0,0,,,,,,,TOX22681,C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1C23OO4
0,0,0,0,0,0,0,0,0,0,0,0,TOX25424,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCCC3)nc21
0,0,0,0,0,0,0,0,0,0,,0,TOX6169,Cc1ccc(C#N)cc1
0,0,0,0,1,1,0,,0,0,1,0,TOX27938,Oc1ccc(Cc2ccccc2)cc1
,,,,,,,1,,0,,,TOX25425,COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
0,0,0,0,,0,0,0,0,0,0,0,TOX12813,CCC(O)C(C)(C)C
,,0,0,,0,0,0,0,0,0,0,TOX12811,CCC(C)(C)C(=O)O
0,,0,0,,0,0,,0,0,1,1,TOX26101,Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24413,CCN1CCCC1=O
0,0,,0,0,0,0,,0,0,0,0,TOX24410,O=S(=O)([O-])c1cc(O)ccc1O
0,0,0,0,,,0,0,0,0,0,0,TOX1319,ClC(Cl)=C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1318,ClC(Cl)C(Cl)Cl
0,0,1,,0,0,0,1,0,0,,0,TOX1315,Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
0,,1,1,,0,,1,1,1,1,1,TOX1314,Nc1cc(Cl)c(-c2cc(Cl)c(N)cc2Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1317,ClCC(Cl)(Cl)Cl
0,0,0,1,,0,,,0,0,1,1,TOX1316,O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4143,O=C=NCCCCCCN=C=O
0,0,1,1,0,0,0,1,0,,1,0,TOX1312,Nc1ccc(-c2ccc(N)c(N)c2)cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX9128,OCC1CCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9122,O=C(OC(=O)c1ccccc1)c1ccccc1
0,0,0,,1,1,,1,1,0,1,1,TOX9120,Oc1ccc(-c2ccc(O)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9127,CCOC(=O)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9124,Cc1cc(C)c(C)cc1C
0,0,0,0,0,,,0,0,,1,,TOX17555,CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17551,CN(C)C(=O)Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17806,Nc1nc(N)nc(Cl)n1
0,0,1,,,0,0,,0,,1,0,TOX17553,O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1
0,0,1,,0,0,1,,1,1,1,1,TOX4499,Nc1ccc(O)cc1
0,0,1,,,0,,1,0,0,1,,TOX4498,Nc1ccccc1O
0,0,0,1,,0,,,0,1,1,1,TOX18922,CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(Br)c1
0,0,1,0,0,0,0,,0,0,1,0,TOX4491,Nc1nc2ccc([N+](=O)[O-])cc2s1
,,,,,0,,0,0,0,0,0,TOX4497,Nc1cccc(O)c1
0,0,0,,0,0,0,,0,0,1,0,TOX1493,CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX24949,CCC1(CO)COCOC1
0,0,0,0,0,0,0,,,,0,0,TOX24239,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
0,0,0,,0,0,,,,0,,0,TOX28991,O[C@@H](CNC[C@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
0,0,0,0,0,0,0,0,0,0,1,0,TOX24236,Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24945,OCCSCSCCO
1,1,1,,0,0,0,0,0,0,0,0,TOX2667,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
0,0,0,,0,0,0,,,0,,,TOX2663,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6318,Cl[Zr](Cl)(C1=CC=CC1)C1C=CC=C1
0,0,1,0,,0,0,1,0,1,,0,TOX9879,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
0,1,,,,1,1,,1,1,1,1,TOX6314,[O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-]
0,0,0,0,1,0,0,0,0,0,0,0,TOX2408,O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX5361,C=C(C)C(=O)OCC1CO1
0,0,0,1,0,0,0,0,0,0,1,0,TOX2403,COc1ccc(C(=O)c2ccccc2O)c(O)c1
0,0,0,1,0,0,0,1,0,0,1,0,TOX2404,O=C(c1ccccc1O)c1ccccc1O
0,0,1,0,1,1,0,0,0,0,0,0,TOX2405,COc1ccc(C(=O)c2ccccc2)c(O)c1
0,0,1,,,0,0,,0,0,1,,TOX12651,O=C(Nc1ccccc1)Nc1cnns1
1,0,1,0,0,0,0,0,0,0,0,0,TOX12655,CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
0,0,0,0,0,0,0,0,0,0,1,0,TOX12386,C=C(C)CN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX25542,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25540,Cc1cccc(C)c1NC(=O)C(C)N
0,0,0,0,0,0,0,,0,,,0,TOX25545,O=C1OC2(c3cc(Br)c([O-])cc3Oc3c2cc(Br)c([O-])c3[Hg]O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX14764,COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
0,0,0,,0,0,0,,0,0,,0,TOX13389,C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
0,0,0,0,0,0,0,,0,,0,0,TOX28984,O=P1(N(CCCl)CCCl)NC(OO)CCO1
0,,0,0,0,0,0,0,0,0,0,0,TOX7047,CC(=O)/C(C)=C/C1C(C)=CCCC1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7044,CC(=O)[O-].[Na+]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7043,CC(=O)[O-].[K+]
0,0,0,1,,0,0,0,0,0,1,0,TOX7041,CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7049,C=C1CCC2CC1C2(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX7048,O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1
0,0,,0,0,0,1,0,0,0,0,0,TOX3752,CC(c1cc2ccccc2s1)N(O)C(N)=O
0,0,0,1,0,0,0,0,0,0,0,0,TOX3202,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
0,0,0,0,0,0,0,1,0,1,0,0,TOX4961,CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX4965,O=C(Cl)C(Cl)Cl
,0,0,0,0,0,0,0,0,0,0,0,TOX4967,Nc1cc(Cl)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4966,Nc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX13923,CC12CC1(C)C(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
0,,,,,,,1,,,,,TOX27112,CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
0,0,0,0,1,0,,0,0,0,0,0,TOX17231,CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
0,0,0,0,0,0,,,0,0,,0,TOX17237,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
0,,0,,,0,,,0,,,,TOX27111,C=C[C@](C)(O)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27116,C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7436,O=[PH](O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7432,CN(C)CCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7433,CO[Si](CCCNCCN)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27115,CC(C)=CCCC(C)=CC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7438,CCCCO[PH](=O)OCCCC
0,0,0,0,0,0,0,0,0,0,1,0,TOX29289,CCCCCCCCCCCCn1cc[n+](C)c1
0,0,0,0,0,0,0,,0,,0,0,TOX26168,c1csc(C2(N3CCCCC3)CCCCC2)c1
0,0,,0,0,0,0,,0,,0,0,TOX26165,[O-][n+]1cc[n+]([O-])c2ccccc21
0,,,1,,,,1,,1,1,,TOX29311,CCCCCCCCCCn1cc[n+](CCCCCCCCCC)c1C
0,0,,0,0,0,1,,0,,0,0,TOX26160,CCOC(=O)Cc1ccc(-c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26161,O=C(O)CNC(=O)c1ccccc1I
0,0,,0,0,0,0,0,0,0,0,0,TOX26162,CC(C)(C)C(=O)NCCCC(=O)O
1,0,,,1,1,0,1,,0,,1,TOX27569,Oc1ccc2c(c1)Cc1ccccc1-2
0,0,1,0,,,0,0,0,0,0,0,TOX27568,Cc1nnc(-c2ccccc2)c(=O)n1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX27567,CCC(C)C(=O)OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27565,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
0,0,0,0,0,0,0,0,0,0,0,0,TOX27562,C/C=C(\C)C(=O)OCC/C=C\CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27560,CC/C=C\CCOC(=O)CCCCC
0,0,0,1,0,0,0,0,0,,1,,TOX8008,Cc1cc(C(C)(C)C)c(O)c(C)c1Cn1c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c(=O)n(Cc2c(C)cc(C(C)(C)C)c(O)c2C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5569,Cc1ccccc1C(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21675,CC(=O)O[C@@H]1CC2CCC1(C)C2(C)C
0,0,1,,0,0,0,0,0,0,0,0,TOX5560,COc1c2ccoc2cc2oc(=O)ccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX8001,CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27781,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX27787,CN[C@]1(c2ccccc2Cl)CCCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27784,CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1
1,1,,,1,1,,,0,,1,,TOX26788,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
0,0,,0,0,0,,0,0,0,,0,TOX26780,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
0,0,,0,0,0,0,,0,,,0,TOX26783,O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX26784,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21
0,0,0,0,0,0,0,,0,,0,0,TOX26785,CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN
0,0,0,0,0,0,0,0,0,0,,0,TOX26786,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O
0,,0,,0,0,,,,,1,1,TOX26787,N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl
0,,0,,,0,,,,,,,TOX22090,CCCCCCCCCCCCN(CCO)CCO
0,0,0,,0,0,0,0,0,0,,0,TOX22094,CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX22096,OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6148,CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
,,,,,,,0,,,,,TOX25955,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12
0,0,0,0,0,0,0,0,0,0,,0,TOX9665,CC(CO)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6147,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9661,CC(CCO)CC(C)(C)C
,,,,,,,0,,0,,,TOX25484,CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](OC2OC(CN)=CCC2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
,,,,,,,,,0,,,TOX25957,COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CCN1C
0,0,1,,,0,0,1,0,0,,0,TOX5178,N=C(Nc1ccccc1)Nc1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX2093,Cc1ccc(C)o1
0,0,0,0,0,0,0,,0,,1,0,TOX20783,C=CC(C)(O)CC/C=C(\C)CCC=C(C)C
0,0,0,,0,0,0,0,0,,1,0,TOX21544,CC(=O)c1cc2c(cc1C)C(C)(C)C(C)CC2(C)C
0,,0,1,,0,,,0,,0,1,TOX25952,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1
0,0,0,0,0,0,0,0,0,0,,0,TOX2090,OCCN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21925,CCSC(=O)N(CC)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX21927,CCCCc1c(C)nc(NCC)nc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21920,CCCCC(CC)COCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX22327,COCCCOCCCOC
1,1,0,0,1,0,1,0,0,0,1,0,TOX22324,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O
0,0,0,0,,0,0,0,0,0,0,0,TOX22325,CCCc1ccc(OC)cc1
0,0,0,0,0,0,0,,0,,1,0,TOX22322,CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX941,O=N[O-]
0,0,0,,0,0,0,,0,,,0,TOX14576,O=C(CBr)c1ccc(O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX28695,CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX28697,c1ccc2c(c1)Sc1ccccc1N2C[C@@H]1CN2CCC1CC2
0,,,,,1,,,1,,1,,TOX28690,COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2
,1,0,,0,0,0,,0,,0,0,TOX28691,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,,,0,,,0,TOX28693,CN(C)CCOc1ccccc1Cc1ccccc1.Nc1ccc(C(=O)O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4774,FC(F)(F)c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4775,ClCCBr
0,0,0,0,0,0,0,0,0,0,,0,TOX4770,O=C(O)c1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX4771,O=C(O)c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4772,O=C(O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4773,FC(F)(F)c1cccc(Cl)c1
,,,,,,,0,,0,,,TOX26041,CC(=O)Oc1cccc(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX533,C1COCCO1
0,,,0,,0,0,1,0,0,1,0,TOX7239,Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7234,COC(=O)C(C)(C)C
0,0,0,0,0,0,0,1,0,0,,0,TOX7236,Cc1cccc([N+](=O)[O-])c1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7233,CC(Br)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3927,Brc1ccc(Oc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3437,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
0,0,0,0,0,0,0,,0,,0,0,TOX3435,CCCC(C)C1(CC)C(=O)N=C(O)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1690,CCCCCCCCCCC(=O)O
0,,0,0,0,0,,1,0,0,1,1,TOX3063,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2341,COc1nc(NC(C)C)nc(NC(C)C)n1
0,0,0,0,0,0,1,0,0,0,0,0,TOX9869,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O
0,0,0,0,1,1,0,,0,,1,,TOX2345,Clc1ccc(C(c2ccccc2Cl)C(Cl)(Cl)Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13241,CC(=O)CCc1ccccc1
,,,,,,,,,0,,,TOX3697,CCO[C@@H]1O[C@H](C(COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
0,0,1,0,1,0,0,0,0,0,0,0,TOX6308,Cc1ccc(N)cc1C
0,0,0,0,0,0,0,,0,,0,0,TOX3692,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX3691,COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX791,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
0,0,0,0,0,0,0,1,0,0,0,0,TOX790,CCOC(=O)CC(SP(=O)(OC)OC)C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX792,O=c1ccc(=O)[nH][nH]1
0,0,0,0,0,0,0,1,0,0,0,0,TOX794,S=C([S-])NCCNC(=S)[S-].[Mn+2]
0,0,0,0,0,0,0,,0,0,0,0,TOX3699,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX24554,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24553,Cc1ccccc1S(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,1,0,TOX24559,CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,,,0,TOX25978,C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
0,0,0,0,0,0,0,,0,,0,0,TOX25979,OC[C@@H](O)C(O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24682,C=C(C)C(=O)NCCC[N+](C)(C)C
0,0,1,,0,0,0,1,0,1,1,0,TOX25973,Oc1ccc(Cl)c2cccnc12
0,0,,0,0,0,0,,0,,0,0,TOX25976,CC(=O)Oc1cccc(C(=O)O)c1OC(C)=O
0,,0,,1,,,,,1,1,,TOX242,O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX240,O=C1CCCCCN1
0,0,1,0,0,0,0,1,0,0,,0,TOX247,CNC(=O)Oc1cccc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX246,NC(=O)Nc1ccc([As](=O)(O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX245,NC(=O)NNc1ccccc1
0,0,,0,0,0,0,0,0,0,,0,TOX248,c1ccc2c(c1)[nH]c1ccccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX539,N#CC(c1ccccc1)c1ccccc1
0,0,,0,0,0,0,,0,0,,0,TOX23782,O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX24686,COc1cc(S(=O)(=O)Nc2ccccc2)c(OC)cc1N
0,0,,,0,0,1,1,0,0,0,0,TOX21317,O=C(O)c1cc(I)cc(I)c1I
0,0,0,,1,0,,0,0,,1,0,TOX29124,O=C(CC(=O)C(F)(F)F)c1ccccc1
0,1,1,,1,,1,,,1,1,1,TOX29127,O=C1CCCc2c1cc1ccc3cccc4ccc2c1c34
0,0,0,0,0,0,0,0,0,0,,0,TOX29122,CCn1cc[n+](C)c1C.F[B-](F)(F)F
0,0,,0,0,0,,,0,,1,1,TOX29129,OCCCCCCCCCCCCBr
1,0,0,,1,,0,,0,,0,0,TOX28530,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O
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0,0,0,0,0,0,0,0,0,0,0,0,TOX2411,CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
0,0,,,0,0,0,,0,0,0,0,TOX25208,CCCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC
0,0,,0,0,0,0,0,0,0,0,0,TOX25209,Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25202,CN/C(=N\c1ccc(C2=NNC(=O)CC2C)cc1)NC#N
0,0,0,,0,0,0,,0,,0,1,TOX25203,CC(C)COC(=O)OCN1C(=O)CN(CCN2CC(=O)N(COC(=O)OCC(C)C)C(=O)C2)CC1=O
0,,1,,,1,,,,1,,,TOX25204,C[n+]1cc2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3
0,0,0,0,0,0,0,0,0,0,0,0,TOX25206,O=c1[nH]oc2c1CCNC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27597,CC(COCCO)OCCO
0,0,0,0,0,0,0,,0,0,0,0,TOX27594,CCCCCCCCc1ccc(S(=O)(=O)[O-])cc1
0,,0,,,1,,,,,,,TOX5998,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=O)C(C)(C)CCC1
0,0,0,1,0,1,,,0,,1,,TOX5997,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=O)C(C)(C)CCC1
0,,1,,,1,,,,,1,,TOX27592,Oc1cc2ccccc2c2ccccc12
0,0,1,0,0,0,0,0,0,0,1,0,TOX5991,O=Nc1ccc(O)cc1
0,,0,0,,0,,,,,,,TOX26573,O=[N+]([O-])c1cc(I)c(O)c(I)c1
,,,,,,,0,,0,,,TOX26572,N#CCC(=O)NN
0,0,0,0,0,0,0,0,0,0,0,0,TOX26570,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1
0,0,,,,0,0,,,,0,0,TOX26577,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2c(O)c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])ccc23)cc1
0,0,0,,1,0,0,0,1,0,0,0,TOX27590,O=C(OCCc1ccccc1)c1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX26579,Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
0,0,0,,,0,0,,0,,,0,TOX26578,O=S(=O)([O-])c1cc(O)c2c(N=Nc3ccc(Nc4ccccc4)c4c(S(=O)(=O)[O-])cccc34)cc(S(=O)(=O)[O-])cc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20802,CC(C)CCCCCCc1ccc(OCCOCCO)cc1
0,0,,0,0,0,0,,0,0,0,0,TOX26315,CCCN1CCC[C@@H]2Cc3nc(N)ncc3C[C@H]21
0,0,0,0,0,0,0,,0,0,0,0,TOX26313,O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
0,0,0,0,0,0,0,,0,,0,0,TOX26319,CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4C1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1
0,,,,,0,,,,,,,TOX26318,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
0,0,0,,0,0,0,1,0,0,,0,TOX12646,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,1,,,0,0,1,,1,1,1,1,TOX12647,N#CSCSc1nc2ccccc2s1
0,0,0,0,0,0,,0,0,0,,0,TOX7591,C=CC(=O)NC(C)(C)CS(=O)(=O)[O-]
0,0,0,0,1,0,0,0,0,0,0,0,TOX7593,Clc1ccc(C(Cl)(Cl)Cl)cc1
0,0,1,,0,0,0,1,0,0,,0,TOX7594,Cc1ccc(/N=N/c2c(O)c(C(=O)[O-])cc3ccccc23)c(S(=O)(=O)[O-])c1
0,0,,0,0,0,0,0,0,0,0,0,TOX7833,CCc1cccc(C)c1N
0,0,0,,0,0,0,0,0,0,0,0,TOX7599,O=C([O-])CS
0,0,0,0,,0,0,0,0,0,0,0,TOX7844,C[C@]12C(=O)OC(=O)[C@H]1[C@H]1C=C[C@@H]2C1
0,0,,,,0,0,1,0,0,,0,TOX12640,CC(COc1ccc(Oc2ccccc2)cc1)Oc1ccccn1
0,0,,0,0,0,0,0,0,0,0,0,TOX12641,O=C(O)c1c(Cl)ccc2cc(Cl)cnc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX7837,CCC(O)OCC(C)OC(O)CC
0,0,1,0,0,0,0,0,0,0,0,0,TOX25002,COc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC
0,0,0,0,0,0,,1,0,0,0,0,TOX7834,C=CC(=O)OCCC(=O)O
0,0,,0,0,0,0,,0,0,0,0,TOX25003,CCOCC(O)COc1ccc(NC(=O)CC[S+](C)C)cc1
0,0,0,0,,0,0,,0,0,1,0,TOX4160,CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX26126,CC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4164,COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4166,O=C1C=CC(=O)O1
0,0,0,0,0,0,0,,0,,0,0,TOX28551,C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-].C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX3518,CC(CN1c2ccccc2Sc2ccccc21)N(C)C
0,1,1,1,1,,,1,0,0,1,1,TOX1191,Nc1ccc2cc3ccc(N)cc3nc2c1
0,0,,0,0,0,0,0,0,0,0,0,TOX1189,CNNCc1ccc(C(=O)NC(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1196,CC(C)Nc1nc(Cl)nc(NC(C)C)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1195,O=S1(=O)CCCO1
0,0,0,0,0,0,0,0,0,0,,0,TOX27041,C=CCON/C(CCC)=C1\C(=O)CC(C)(C)C(C(=O)OC)=C1[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX27042,CC(=O)/C=C/C1C(C)=CCC(C)C1(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX27043,O=S(=O)([O-])SSS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX27044,CCCCCCCCCCCC(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27045,C=C1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C
0,0,0,0,0,0,0,0,0,,0,0,TOX27046,CCCCOC(=O)C(C)CC
0,,0,,,0,,1,0,,,,TOX19721,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
,,1,,0,,,1,1,0,1,1,TOX11800,COC(=O)Nc1nc2cc(C(=O)c3cccs3)ccc2[nH]1
0,0,1,0,0,0,0,1,0,0,,0,TOX24782,Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O
0,0,1,,,0,,1,,1,,0,TOX24781,Clc1nc(C(Cl)(Cl)Cl)c(Cl)c(Cl)c1Cl
0,0,,0,,0,0,0,0,0,,0,TOX24787,O=S(=O)(O)c1cc(O)c2ccc(Nc3ccccc3)cc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX24784,C=C(C)C(=O)OCCC(C)OC(=O)C(=C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX24785,CC1=NN(c2cccc(S(=O)(=O)O)c2)C(=O)C1
0,0,0,0,0,0,0,0,0,0,,0,TOX24967,OCC1(CO)COCOC1
0,0,0,0,0,0,0,0,0,0,,0,TOX24788,O=S(=O)(O)c1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX24962,Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
0,,1,1,,0,0,,0,0,,0,TOX24960,Nc1ccc(C(=O)OCCCOC(=O)c2ccc(N)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24961,CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6088,Clc1ccc(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2647,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2644,CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2643,CCC1(CC)C(=O)NC(=O)NC1=O
0,0,0,0,0,0,0,,0,,0,0,TOX16999,Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6080,O=C(O)c1ccc(C(=O)O)cc1
0,0,0,1,0,1,1,1,0,1,1,1,TOX6081,CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1
0,0,0,,0,0,0,,,1,,1,TOX6082,BrCC(Br)(Br)Br
0,0,,0,0,0,0,0,0,0,0,0,TOX6083,BrC(Br)C(Br)Br
0,0,0,0,0,0,0,,0,0,0,0,TOX6084,O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21
1,0,0,0,0,0,0,,0,0,,0,TOX2649,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
0,0,0,0,,0,0,0,0,0,,0,TOX5690,CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5693,C=CCc1cc(OC)c2c(c1)OCO2
0,0,1,,,0,,,,,1,,TOX5696,Nc1ccc(N)c2ccccc12
0,0,0,0,0,0,0,1,0,0,0,0,TOX1735,CS(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1731,CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1739,CCCO
0,0,0,0,0,0,0,,0,,,0,TOX25785,C[C@]12N[C@H](Cc3ccccc31)c1ccccc12
0,0,0,0,0,0,0,,0,,0,0,TOX25787,CC1(C)CCC(NC(=O)[C@@H](N)CCC(=O)O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6339,Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
0,0,0,1,,0,,1,,0,0,0,TOX25781,CC[N+](CC)(CC)CCOc1ccc(/C=C/c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25783,Cc1cccc(C)c1OCC(C)N
0,,,0,0,0,0,,0,,0,0,TOX25782,COc1ccc(OC)c(C(O)C(C)N)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX2422,Nc1ccc(Cc2ccc(N)cc2)cc1
0,0,0,,0,0,,,0,,,0,TOX28554,CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1
0,0,1,0,1,0,0,0,0,0,0,0,TOX2421,COc1ccc2[nH]cc(CCNC(C)=O)c2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5346,CC(=O)OCc1ccco1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5347,OCc1ccco1
0,0,,0,0,0,0,,0,,,0,TOX26258,CN1CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
0,,,,,,,1,0,0,1,1,TOX12638,COC(=O)N(OC)c1ccccc1COc1ccn(-c2ccc(Cl)cc2)n1
0,0,,0,,0,0,0,0,0,0,0,TOX12637,CC1=NNC(=O)N(/N=C/c2cccnc2)C1
0,,0,0,,0,,,0,,,1,TOX26707,CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
0,0,1,0,,0,0,0,0,0,,0,TOX12630,c1ccc(CNc2[nH]cnc3ncnc2-3)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX25561,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-]
0,0,0,0,0,0,0,,0,0,,0,TOX25560,C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21.C[C@@H](CN(C)C)CN1c2ccccc2Sc2ccccc21
0,0,0,0,0,0,0,,0,,0,0,TOX25563,CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25562,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,,0,0,0,0,1,TOX25567,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl
0,0,0,,0,0,0,,0,,,0,TOX25566,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12
0,0,0,0,0,0,0,,0,,0,0,TOX25569,COc1ccc2c(c1)[C@@]13CCCCC1[C@@H](C2)N(C)CC3
0,0,,0,,0,0,,0,,0,0,TOX28537,CCN(CC)c1ccc(N=Nc2ccc(S(=O)(=O)N(C)C)cc2)c(S(=O)(=O)NCC[n+]2ccccc2)c1
0,,0,,,,,,,1,,,TOX14742,CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
0,0,0,0,0,0,0,,0,,0,0,TOX3594,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O
0,0,1,,,0,,,0,,1,,TOX3593,O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1
0,0,0,0,0,0,0,,0,0,0,0,TOX28531,CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1
0,0,1,1,,0,,1,0,,0,0,TOX28533,N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
0,0,0,0,0,0,0,0,0,1,0,0,TOX28532,O=C([O-])c1ccccc1Nc1cc(Cl)ccc1C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX16299,CCCCCCCCN(C)C
0,0,1,0,1,1,0,1,0,0,1,0,TOX7061,Oc1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7066,CCCCCCCCCCCC(=O)N(C)CC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX3771,Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3775,O=C1[N-]C(=O)C(c2ccccc2)(c2ccccc2)N1
0,0,0,,,0,0,0,0,0,,1,TOX24342,CCOC(=O)OC1=C(c2cc(C)ccc2C)C(=O)NC12CCC(OC)CC2
0,0,1,0,,0,0,1,0,0,1,0,TOX21336,[O-]c1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,1,0,0,,0,0,TOX21197,CCCCCC/C=C\CCCCCCCC(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX21190,C=C(C)[C@@H]1CC=C(C=O)CC1
0,0,0,0,1,0,0,0,0,0,0,0,TOX24347,COc1ccc(C(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7452,COc1cc(Cl)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX26142,Cc1cccc(C)c1NC(=O)CN1CCCCCC1
0,,0,0,,0,0,1,0,0,,,TOX26140,Cc1nc2ccccc2n1Cc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26147,O=C(CN1CCNCC1)NC1CCCCC1
0,0,0,0,0,0,0,,0,,0,0,TOX26144,CCCCNCC(O)c1ccc(O)cc1
0,0,0,0,1,0,0,0,0,0,,0,TOX26145,CC(Cc1ccccc1)NCc1ccccc1Cl
0,0,,0,0,0,0,0,0,0,,0,TOX26148,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1OC(F)F
0,0,0,0,,0,1,0,0,,0,,TOX27545,CCCCCCCCCCCSCC(=O)O
0,0,1,0,1,1,0,1,0,0,1,,TOX27540,Oc1ccc2c(c1)-c1ccccc1C2
0,,0,,,,,1,0,0,,1,TOX27542,CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1
0,0,0,,0,0,0,,0,0,0,0,TOX27239,C=CC(C)(O)CC/C=C(/C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27549,CCOC(=O)CC1(C)OCC(C)O1
0,0,0,0,0,0,0,1,0,0,0,0,TOX5508,O=C(O)CCCCC1CCSS1
0,0,0,0,0,0,0,,0,0,0,0,TOX21692,COC(=O)CC(C(C)=O)C(=O)OC
0,0,0,0,1,0,0,0,0,0,,0,TOX21691,CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C
0,0,0,0,0,0,0,,0,,0,,TOX5501,CC1CCC(C(C)CS)CC1S
0,0,0,0,0,0,0,0,0,0,0,0,TOX5502,C=CC(C)(O)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5503,C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N
0,0,0,0,0,0,0,0,0,1,0,0,TOX5505,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
0,0,0,0,0,0,1,1,0,1,0,0,TOX5506,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6851,COCCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX12998,O=C(O)CCSSCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29325,CCCC[n+]1ccccc1
0,0,1,0,1,0,0,0,0,0,,0,TOX17612,CCOP(=S)(OCC)Oc1ncn(-c2ccccc2)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13047,CSc1ccc(C=O)cc1
0,0,0,,0,0,0,0,0,0,1,0,TOX1405,Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX1404,CNC(=S)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX22343,CCCOCCC
0,0,1,0,1,,0,,0,0,,0,TOX22349,CCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl
0,0,1,,0,0,,,0,0,,,TOX20279,COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1
0,,1,,,,,1,0,,,,TOX20270,N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N
0,0,,0,0,0,0,0,0,0,0,0,TOX20271,Cc1ccc2ccccc2n1
0,0,1,0,,0,0,0,0,0,,0,TOX20274,CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX10336,N#CCCCl
0,0,0,0,,0,0,0,0,0,0,0,TOX1503,ClCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX7214,O=C([O-])C(=O)[O-].[Ca+2]
0,0,0,0,0,0,0,0,0,0,,0,TOX7211,C=CC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7218,CCc1cccc(CC)c1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7219,O=C([O-])c1ccccc1
0,0,1,,,0,0,0,0,,,1,TOX3900,CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc21
0,0,0,0,0,0,0,0,0,0,1,0,TOX3901,CC(C)N1C(=O)c2ccccc2NS1(=O)=O
0,1,,0,0,0,0,1,0,0,0,1,TOX3908,c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56
0,,1,,0,,,,0,,,1,TOX3909,c1ccc2cc3c(cc2c1)-c1cccc2cccc-3c12
0,,0,,1,1,,,0,0,1,,TOX17028,CCCCCCCCCCCCCCCC[N+](C)(C)C
0,0,0,0,,0,0,0,0,0,,0,TOX24578,Cc1ccc(C)c(S(=O)(=O)[O-])c1
0,0,0,0,0,0,0,1,0,0,0,0,TOX24575,O=C(C(Cl)Cl)N1CCOC12CCCCC2
0,0,0,0,,0,0,0,0,0,0,0,TOX24574,CC1=CC(C)C(C=O)CC1
0,0,0,0,,0,0,0,0,0,,0,TOX24577,Br[Ca]Br
0,0,0,0,0,0,0,0,0,0,,0,TOX24576,CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC
0,0,0,0,0,0,0,0,0,0,1,0,TOX24571,CC(C)c1cccc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24570,NCCN
0,0,0,0,0,0,0,1,0,,0,0,TOX24573,CCC(C)(C)C1CCCCC1OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24572,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX27844,COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC
0,0,,0,0,0,0,0,0,0,1,0,TOX27845,COc1cc2c(cc1OC)-c1cc3ccc(OC)c(OC)c3c[n+]1CC2
0,0,0,1,,,0,1,,0,1,,TOX27849,CCCCCCCCn1cc[n+](C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25993,OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
,,,,,,,,,0,,,TOX25996,Cc1ccc(C(C)C)cc2c(C)ccc1-2
0,0,,0,0,0,0,,0,,,0,TOX25998,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX516,CN(C)N
0,0,0,0,0,0,0,0,0,0,0,0,TOX515,CN(C)C=O
0,0,1,1,1,,1,1,0,1,,1,TOX510,Cc1c2ccccc2c(C)c2c1ccc1ccccc12
0,0,0,0,,0,0,0,0,0,0,0,TOX25198,O=C1NCN(c2ccccc2)C12CCN(CC1COc3ccccc3O1)CC2
,,,,,,,0,,0,,,TOX25190,c1ccc2nc(N3CCNCC3)ccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25191,CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
0,0,1,,1,,0,0,1,0,0,1,TOX25192,Nc1nc2ccc(OC(F)(F)F)cc2s1
0,0,0,0,0,0,0,,0,0,0,0,TOX25193,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
,,,,,,,0,,0,,,TOX25194,C1COC(NC(C2CC2)C2CC2)=N1
1,1,0,,1,1,0,1,0,0,1,0,TOX2364,C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
1,0,0,0,1,1,0,0,0,0,1,0,TOX2367,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
0,0,0,0,1,1,0,0,0,0,0,0,TOX2366,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2361,C=CC1(C)OC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
0,0,0,,1,1,0,,0,,1,,TOX2360,CC(C)(C)CC(C)(C)c1ccc(O)cc1
0,,,1,,0,0,1,0,0,1,0,TOX2369,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
0,0,,0,0,0,0,0,0,0,0,0,TOX25697,CC(=O)NC(Cc1ccccc1)C(=O)O
1,1,0,0,1,1,0,0,0,0,0,0,TOX3016,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
,,,,,,,0,,0,,,TOX3010,C#CC(O)(/C=C\Cl)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3019,CCC1(C)CC(=O)NC1=O
0,0,0,0,0,0,0,,0,,0,0,TOX22508,O=c1[nH]c(=O)c2[nH]c(=O)[nH]c2[nH]1
0,0,,0,1,,0,,0,,0,0,TOX25226,O=C([O-])c1cc2cc(Cc3cccnc3)ccc2o1
0,,0,0,0,0,0,0,0,0,0,0,TOX25224,CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX25222,O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1
0,0,0,1,0,0,0,0,0,0,0,0,TOX25220,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6623,CC(C)(C)C1CCC(O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24744,CCc1nc(C)c[nH]1
,,,,,,,0,,0,,,TOX26558,Cc1ccc(Cl)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24745,CC1(C)C(=O)C(C)(C)C1=O
0,0,0,0,0,0,0,,0,,0,0,TOX26551,NC(=O)C1c2ccccc2CCc2ccccc21
0,0,1,1,0,0,0,0,0,1,,0,TOX26555,CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1ccnc1
0,0,0,0,0,0,0,,0,,1,1,TOX26556,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX26086,CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6994,CCCCCCCCCCCCc1ccccc1
0,,0,0,,0,0,,0,,,,TOX26083,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
0,0,,0,,0,0,0,0,0,1,0,TOX3373,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX26081,Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6991,CCOP(OCC)OCC
0,0,,,,0,,,0,0,,0,TOX26088,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX984,O=[N+]([O-])c1ccc2ncccc2c1
0,0,1,1,0,0,,,0,0,0,,TOX636,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
0,0,,0,0,0,0,,0,,0,0,TOX26885,O=C(NNCS(=O)(=O)[O-])c1ccncc1
0,0,,,0,0,0,,0,,0,1,TOX26883,CCCCCCCCCC(=O)NO
0,0,0,0,0,0,0,,0,,0,0,TOX26881,CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2
0,0,0,0,0,0,0,1,0,0,0,0,TOX26332,C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7868,CCCCCCC(C)(C)S
0,0,0,,,0,,,1,,0,0,TOX2577,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX7866,CCc1ccccc1CC
0,0,0,0,,0,0,0,0,0,0,0,TOX4101,COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4100,CCOC(=O)COC(=O)c1ccccc1C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4105,c1ccc2c(c1)Cc1ccccc1-2
0,0,0,0,1,1,0,0,0,0,1,0,TOX4104,c1ccc2c(c1)-c1cccc3cccc-2c13
0,0,0,0,0,0,0,0,0,0,0,0,TOX27682,CC(=O)CC(C)(C)C1CCCCC1
0,0,0,,0,0,,,0,0,,,TOX27683,CC1(O)CSC(C)(O)CS1
0,0,1,0,0,0,0,,0,0,,0,TOX4109,CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4108,CC(C)C(O)(c1ccc(OC(F)(F)F)cc1)c1cncnc1
0,0,0,0,0,0,0,0,0,,0,0,TOX27687,O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O
0,0,0,0,0,0,0,0,0,0,,0,TOX27684,C/C=C(\C)C(=O)OCCc1ccccc1
1,0,0,0,0,0,0,0,0,0,0,0,TOX25099,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2
0,0,1,0,0,0,0,0,0,1,0,0,TOX17594,CCNc1nc(NC(C)CC)nc(OC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17596,CCNc1nc(NCC)nc(SC)n1
0,0,1,,0,0,0,0,0,0,0,0,TOX21699,C#CC(C)N(C)C(=O)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27068,CC(=O)OC/C=C(/C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27066,CCCC(=O)C(C)=O
0,0,,0,0,0,0,0,0,0,,0,TOX27067,Cc1ccnc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX27064,O=C(O)CCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27065,COc1ccccc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27062,CCC/C=C/CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27060,COc1cccc(OC)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX27061,CCCCCCCCCCCCCCCCC
0,0,0,1,,0,0,0,1,0,,0,TOX20484,C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX18852,O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27082,CCC(C)c1nccnc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24904,Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)O)C=C2)c2ccc(Nc3ccc(S(=O)(=O)[O-])cc3)cc2)ccc1N
0,0,0,,0,0,0,0,0,0,0,0,TOX24905,CC1(C)CC(=O)CC(C)(C)N1[O]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24900,OCC1CC2CC1C1CCC(CO)C21
0,0,0,0,0,0,,0,0,0,0,0,TOX24901,C=CCOC(=O)c1ccc(C(=O)OCC=C)c(C(=O)OCC=C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24902,CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24908,CC1(C)C(O)C(C)(C)C1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25710,CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O
0,0,1,,0,0,0,,0,0,1,0,TOX6505,O=C1OC(=O)c2cccc3cccc1c23
0,0,0,0,0,0,0,,0,,0,0,TOX2993,CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
0,0,0,0,0,0,0,0,0,,0,0,TOX22426,O=C(O)CC(C(=O)O)S(=O)(=O)O
,,,,,,,0,,0,,,TOX2994,CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX2628,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1
0,0,0,0,0,0,1,0,0,0,0,0,TOX25341,CCCNC(C)(C)COC(=O)c1ccccc1
1,1,0,0,1,1,0,,0,,,0,TOX2998,C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22423,CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22422,OCC(O)c1ccccc1
0,0,1,0,,,0,1,0,,,1,TOX1715,CC1=CC(=O)c2ccccc2C1=O
0,0,0,0,1,0,0,0,0,0,1,0,TOX1717,Cc1cc(O)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1718,c1ccc(CC2=NCCN2)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX25763,COC(=O)[C@@H](N)Cc1ccc(O)c(O)c1
0,0,0,,0,0,0,,0,0,0,0,TOX25762,CCc1cccc(N(C)C(=N)Nc2cccc3ccccc23)c1
0,0,1,0,0,0,0,0,0,0,,0,TOX25767,CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C
0,0,,0,0,0,0,,0,,0,0,TOX25766,CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC
0,0,0,0,0,0,0,0,0,0,,0,TOX25765,NCCCC(N)(C(=O)O)C(F)F
1,0,0,0,1,0,0,,0,,0,0,TOX25764,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CCC2=O
0,0,0,1,1,0,,0,0,0,,0,TOX25769,CCc1cc(Cl)c(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O
0,0,,0,0,0,0,0,0,0,,0,TOX25768,CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
0,0,0,,0,0,0,0,0,0,0,0,TOX16646,CCCCCCC(O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2193,C=C(C)C(=O)OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2191,C=C(C)C(=O)OCC1CCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2194,C=CC(=O)OCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX12615,Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1
0,0,0,0,0,0,0,0,0,0,,0,TOX12614,CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,0,0,0,TOX12610,CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1
0,0,1,1,0,0,0,0,0,,,0,TOX12613,COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(C)c1
0,0,,,0,0,,,,,1,,TOX12348,O=C1c2ccccc2C(=O)C1C(=O)C(c1ccccc1)c1ccc(Cl)cc1
0,0,0,0,,0,0,0,0,0,1,0,TOX12619,CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1
1,1,,,0,0,,,0,,,0,TOX25502,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25500,CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1
1,1,0,,,0,0,,0,0,0,0,TOX16508,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,,0,,0,0,TOX3576,O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
0,0,0,,,0,,,0,,,0,TOX3571,OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3718,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3713,COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC
0,0,,0,0,0,0,0,0,0,0,0,TOX3716,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
0,0,1,0,1,1,0,0,0,0,0,0,TOX4291,CCOP(=S)(OCC)Oc1cnc2ccccc2n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4921,NC1CCC(CC2CCC(N)CC2)CC1
0,0,1,0,0,0,0,0,0,0,0,0,TOX4923,N#C/C(N)=C(/N)C#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX4922,NCCCCCCN
0,0,0,0,,0,,1,0,0,,0,TOX4299,C[C@H]1[C@H](c2ccc(Cl)cc2)SC(=O)N1C(=O)NC1CCCCC1
0,,,,,,1,1,0,1,1,,TOX166,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX167,CC(CCl)OC(C)CCl
0,0,0,0,0,0,0,0,0,0,,0,TOX160,Cc1c(COC(=O)C2C(/C=C(\Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1
0,0,0,0,,0,0,,0,0,0,0,TOX15341,CC1(C)C(=O)N(Br)C(=O)N1Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX168,ClCCOCCCl
0,0,1,0,1,0,0,0,0,0,0,0,TOX17272,Nc1c2c(nc3ccccc13)CCCC2
0,0,0,0,0,0,0,,0,0,,0,TOX8013,CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
0,0,1,,1,0,0,,1,0,,0,TOX7479,Cc1ccc(O)c(-n2nc3ccccc3n2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7471,CCCCCCCCCCCCCCCl
0,,0,,,,,,,,1,,TOX21502,Cc1cc(O)c(C(C)(C)C)cc1C(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX21507,COc1ccc(Cl)cc1C
0,0,0,1,,0,0,1,0,0,1,0,TOX21506,Oc1ccc(Cl)cc1C1CCCC1
0,0,1,0,0,0,0,0,0,1,0,0,TOX288,Cc1cc(Cl)ccc1N
,,,,,,,,,0,,,TOX31489,O=C1CCCc2c(O)cccc21
,,,,,,,0,,0,,,TOX31487,CCN1CCCC1CN
,,,,,,,0,,0,,,TOX31486,CC(=O)O[C@@H]1CC2C3CCc4cc(OC(=O)c5ccccc5)ccc4C3CCC2(C)[C@H]1OC(C)=O
,,,,,,,,,0,,,TOX31485,Oc1cccc2[nH]ccc12
,,,,,,,,,0,,,TOX31484,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2c(C(F)(F)F)cccc12
,,,,,,,0,,0,,,TOX31483,COc1cc2nc(Cl)nc(N)c2cc1OC
,,,,,,,0,,0,,,TOX31481,CC(=O)c1cc2ccccc2s1
,,,,,,,0,,0,,,TOX31480,NC(=O)NS(=O)(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5523,Cc1occc(=O)c1O
0,0,,0,0,0,0,0,0,,0,0,TOX8040,CCC(CC)Nc1ccc(C)c(C)c1
1,1,0,,0,0,0,1,0,0,,0,TOX5527,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX2973,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
0,0,0,,0,0,0,0,0,0,0,0,TOX6879,C1CCCNCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6878,OCCSCCO
0,0,0,0,0,0,0,0,0,0,,0,TOX11444,P#[In]
0,0,0,,,0,0,1,0,0,,0,TOX22369,CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3[o+]c2c1
0,0,1,0,0,0,0,0,0,0,1,0,TOX22360,O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX22364,Cc1cnc2c(C(=O)O)c(Cl)ccc2c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX22365,CCOc1ccc2c(c1)C(C)CC(C)(C)N2
0,0,0,0,1,0,0,0,0,0,0,0,TOX3150,CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
0,0,1,,,0,0,,0,0,,0,TOX20290,CON(C)C(=O)Nc1ccc(Br)c(Cl)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX3153,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
0,0,1,0,0,0,0,0,0,0,0,0,TOX20296,O=C(O)c1c(Cl)ccc(Cl)c1Cl
0,0,0,0,0,0,0,1,0,0,1,0,TOX1526,O=C(O)CC(Cl)C(=O)O
0,0,0,0,1,,0,0,0,0,0,0,TOX1524,N#CCCl
0,0,1,0,0,0,0,1,0,0,,0,TOX17478,Cc1cccc2sc3nncn3c12
0,0,0,0,0,0,0,,0,0,0,0,TOX10317,CC(=O)c1cc(C)oc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4738,C=C(C)C1CC=C(C)C(OC(C)=O)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4739,C=C1CCC=C(C)CC[C@@H]2[C@@H]1CC2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4733,CCCC(C)(COC(N)=O)COC(=O)NC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4736,C=C(C)C1CC=C(C)C(O)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7270,CCCCCCCCCCCCCCCO
0,0,0,0,0,0,0,1,,0,0,0,TOX7279,[Mn+2]
0,0,0,0,0,0,0,0,0,0,0,0,TOX3966,CCC(C)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX759,CC1=CC(=O)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX756,NC(=O)c1ccncc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX753,OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX752,FC(F)OC(Cl)C(F)(F)F
0,,0,0,,,,,0,,,,TOX24590,O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br
0,0,0,0,0,,0,0,0,0,0,0,TOX24597,Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1
0,0,0,0,0,0,0,0,0,,,0,TOX24595,CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX17044,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
0,0,0,,1,,,1,0,0,1,1,TOX27866,Cc1cc(C(C)(C)c2ccc(O)c(C)c2)ccc1O
0,0,0,,1,1,0,1,0,0,1,0,TOX27867,CC(c1ccc(O)cc1)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6275,CCCCC#N
0,,1,0,1,1,0,0,0,0,1,0,TOX27862,COc1ccc(C(=O)c2cccc(O)c2)c(OC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27860,CCn1cc[n+](C)c1.N#C[S-]
0,0,0,,1,1,,,0,,1,,TOX27861,CCCCCCCCCOC(=O)c1ccc(O)cc1
0,0,0,0,0,0,0,1,0,0,,0,TOX6279,O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21
0,,,,,1,,,1,,,,TOX5065,C[C@H]1[C@H]2[C@@H](O[C@]13CC[C@@H](C)CO3)[C@@H](O)[C@H]1[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C
0,0,,0,0,0,0,0,0,0,0,0,TOX5064,Nc1ccc(F)cc1F
0,0,0,0,0,0,0,0,0,0,0,0,TOX5063,CCCCC(=O)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4145,CN(C)c1nc(=O)n(C2CCCCC2)c(=O)n1C
0,0,1,0,0,0,0,0,0,0,0,0,TOX5068,CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
0,0,0,0,0,0,0,0,0,0,0,,TOX3385,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C
0,0,0,0,0,0,0,,0,0,0,0,TOX3387,CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX570,O=C1O[C@H]([C@H](O)CO)C([O-])=C1O
1,1,0,1,1,1,0,0,0,0,1,1,TOX573,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
0,0,0,0,0,0,0,,0,,0,0,TOX572,Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2
0,0,0,0,1,0,0,0,0,0,0,0,TOX577,CCc1cc(C(N)=S)ccn1
0,,,1,,,,,,,,,TOX2384,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
0,0,0,0,1,1,,1,0,1,1,1,TOX2381,CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3038,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3039,NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1
,,,,,,,,,1,,,TOX3036,CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C
0,0,0,0,0,0,,,0,1,0,1,TOX3035,COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
0,0,0,0,0,0,0,,0,,0,0,TOX3032,Cn1c(=O)c2c(ncn2CCOC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX3033,CCOC(=O)c1cncn1C(C)c1ccccc1
0,0,,,,0,0,0,1,0,,0,TOX3030,CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX3031,Cn1c(=O)c2c(ncn2CCO)n(C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6605,CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0,0,0,,,,0,0,0,,1,,TOX6602,CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
0,0,,0,0,0,0,1,0,0,0,0,TOX12405,CNC(=O)Oc1cccc(N=CN(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6600,O=C1OCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6608,C=C(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6609,CC(C)C(=O)OC(=O)C(C)C
0,0,0,0,0,0,0,,0,,,0,TOX25244,O=C1NCCN1c1ncc([N+](=O)[O-])s1
0,0,,0,0,0,0,0,0,0,0,0,TOX25245,Nc1nc2cc(Cl)ccc2o1
0,0,0,0,0,0,0,,0,,,0,TOX25240,CN(CCCCCCCCCCN(C)C(=O)Oc1ccccc1[N+](C)(C)C)C(=O)Oc1ccccc1[N+](C)(C)C
0,0,,0,,0,0,,0,0,0,0,TOX25248,COc1cc(NC(C)CCCN)c2ncccc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX287,Cc1ccc(Cl)cc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX286,Cc1ccc(N)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX285,CC(O)CCl
0,,1,,,0,0,1,0,0,1,0,TOX284,Nc1ccc(N)c(Cl)c1
1,0,1,,0,0,0,1,1,0,1,0,TOX283,Nc1ccc(Cl)cc1N
0,0,1,0,0,0,0,,0,0,0,0,TOX282,Nc1ccc(Cl)c(N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX15753,CCCCN(CCC(=O)OCC)C(C)=O
,0,0,0,,0,0,0,0,0,0,0,TOX280,O=[N+]([O-])c1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX14803,COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12
0,0,,0,1,0,0,,0,0,0,0,TOX26539,CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-]
0,0,0,0,,0,0,0,0,,0,0,TOX9651,O=C([O-])[O-].[Sr+2]
,,,,,,,0,,0,,,TOX26536,O=C(O)[C@@H]1CSCN1
,,,,,,,,,0,,,TOX26535,CC(C)CCCC(C)N
0,0,,0,,0,0,0,0,0,0,0,TOX26534,CC(=O)N[C@@H](CCC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1897,Cc1cccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1892,Cc1ccncc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1890,CC(C)OC(C)C
0,,,0,0,0,0,0,0,0,0,0,TOX22195,O=C(O)COc1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22196,CCCCOC(=O)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22191,CNC(=S)NC
0,0,0,0,0,0,0,0,0,0,0,0,TOX22199,O=C1CCC(=O)N1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22198,CCCCNS(=O)(=O)c1ccc(C)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX7802,CC(COC(=O)c1ccccc1)OC(=O)c1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX7806,O=C([O-])CNc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7805,Cc1ccc2c(c1)C(=O)OC2=O
0,0,,0,0,0,0,0,0,0,0,0,TOX7804,CC(C)(N)C#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX3292,CNC(C)Cc1ccccc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24408,NCCN1CCOCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21828,COP(=S)(OC)Oc1ccc(S(N)(=O)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27660,CC1CC(C)C(=O)C1=O
0,0,0,0,0,0,0,1,0,0,0,0,TOX27661,CC(=O)SCc1ccco1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27662,Cc1ccc(C(C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27663,c1coc(Cn2cccc2)c1
1,0,0,0,0,0,0,0,0,0,0,0,TOX4128,Brc1c(Br)c(Br)c(Br)c(Br)c1Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX27667,CCCCCCCCCCC=CC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX4124,COC(=O)c1sccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
1,,0,0,0,0,0,0,0,0,0,0,TOX4127,CCCCCCC
0,0,0,,,0,0,,0,,1,0,TOX4126,ClC1=C(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C2(Cl)Cl
0,0,0,,,0,0,0,0,0,,0,TOX21715,COc1ccccc1/N=N/c1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(NC(C)=O)c2c1O
1,0,0,0,0,0,0,0,0,0,0,0,TOX27006,CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27000,ClCCOCCOCCCl
0,0,0,0,,0,0,0,0,0,0,0,TOX27001,COC(Cc1ccccc1)OC
0,0,0,,,0,0,,0,,,0,TOX2815,Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O
1,0,1,0,,0,0,,0,,,,TOX2814,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12
0,0,0,0,0,0,0,0,0,0,,0,TOX2813,O=c1[nH]c2cc(Cl)ccc2o1
0,0,0,0,0,0,0,,0,0,0,0,TOX2812,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl
1,1,,,0,,,,0,,1,0,TOX26636,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26638,CCC(C)(Oc1ccc(C2(c3ccc(OC(C)(CC)C(=O)O)cc3)CCCCC2)cc1)C(=O)O
1,,,,0,0,0,0,0,0,0,0,TOX26639,Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2
0,0,0,0,0,0,0,,0,,0,0,TOX6044,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
1,1,0,,1,1,0,0,0,,0,0,TOX2609,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
0,0,0,0,0,0,0,0,0,0,,0,TOX2978,CC[N+](C)(C)c1cccc(O)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX5654,Cc1ccc2ccc3cccc4ccc1c2c34
0,0,,0,0,0,0,,0,0,,0,TOX2603,Nc1cc(-c2ccncc2)c[nH]c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5657,Cc1ccc2cccnc2c1
0,0,0,1,0,0,0,0,0,0,0,0,TOX2607,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5653,CC(C)Cc1nccs1
0,0,0,0,0,0,0,,0,,0,0,TOX25749,Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
0,0,0,,0,0,,0,0,0,,0,TOX1778,O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25741,COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC
0,0,0,0,1,0,0,0,0,0,0,0,TOX1772,CC1(N)CCC(C(C)(C)N)CC1
0,0,1,1,,0,0,1,0,0,1,0,TOX25743,Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23
0,0,1,0,0,0,0,1,0,0,1,0,TOX25742,CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C3CCC3)cs2)c1)C(=O)O
0,0,1,0,0,0,0,0,0,0,1,0,TOX1777,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
0,0,,0,0,0,0,0,0,1,,0,TOX25744,OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1775,Cc1c[nH]c2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX1774,c1cc2c3c(cccc3c1)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX14252,CC/C(=N\OC/C=C/Cl)C1=C(O)CC(C2CCOCC2)CC1=O
0,0,0,1,0,0,0,,0,0,,0,TOX14250,CCOP(=O)(OCC)OC(=CCl)c1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX14255,NC(=O)CF
0,0,0,0,1,0,0,0,0,0,0,0,TOX3937,CC(C)(C)Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX24928,CC(C)O[Ti](OCCN(CCO)CCO)(OCCN(CCO)CCO)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24922,O=C1CCCN1CCO
0,0,0,0,0,0,,,0,,0,0,TOX28246,CN(C)C=Nc1c(I)cc(I)c(CCC(=O)[O-])c1I
0,0,,0,0,0,0,,0,,0,0,TOX28245,CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I
0,0,0,,0,0,0,0,0,0,0,0,TOX24926,CCCCNC1CC(C)(C)NC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25527,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21
0,0,0,0,0,0,0,0,0,0,,0,TOX25526,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX25521,O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX25523,CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
0,0,0,0,0,0,1,0,0,0,,0,TOX25522,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7390,O=S(=O)(O)c1ccccc1O
0,0,,0,1,,,,0,0,0,0,TOX7394,CCC1CCC(CCC(=O)O)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28993,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2
0,0,0,0,0,0,0,,0,0,0,0,TOX24941,Nc1ccccc1S(=O)(=O)c1ccccc1
0,,0,1,,,,0,0,1,1,1,TOX14181,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
1,0,0,,0,0,,,0,,0,0,TOX3552,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
0,0,,,0,0,0,,0,,0,0,TOX3554,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)C=Cc2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
0,0,0,,,0,,0,0,0,0,1,TOX3557,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
0,0,0,0,0,0,,,,,,1,TOX28997,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
0,0,0,0,0,0,0,,0,,1,0,TOX28996,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)ccc1OC
,,,,,,,0,,0,,,TOX7026,CCCCCCCCCCCCCCCCCCN(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24438,O=C1CCCCO1
0,0,0,0,0,0,0,0,0,,0,0,TOX24439,CCCCOC(=O)CC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX3737,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
0,0,0,0,1,0,0,,0,0,0,0,TOX3736,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1
,,,,,,,0,,0,,,TOX3730,N[C@@H](Cc1ccc(O)cc1)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3733,CCCC(CCC)C(=O)O
0,0,,0,,0,0,0,0,0,0,0,TOX24430,O=C(Cc1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24431,CC(C)(C)NCCO
0,0,0,0,0,0,0,,0,,0,0,TOX21153,C=CC(N)CCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24435,CCN(CC)CCOC(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24436,CC(=O)C1CCOC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24437,Nc1cc(N)cc(C(=O)O)c1
0,0,0,,,0,0,,0,0,0,0,TOX12361,N#CC(Br)(Br)C(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX12365,N#Cc1c(Cl)cccc1Cl
0,0,1,,1,0,0,0,0,0,0,0,TOX142,Nc1nc(N)nc(-c2ccccc2)n1
0,0,0,0,1,0,0,0,0,0,0,0,TOX143,O=C(O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX144,O=C(c1ccccc1)C(O)c1ccccc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX145,O=C1C=CC(=O)C=C1
0,0,0,0,0,0,0,0,0,1,0,0,TOX147,c1ccc2[nH]nnc2c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX148,ClC(Cl)(Cl)c1ccccc1
0,0,1,,1,0,0,0,0,0,,0,TOX149,NNC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX17250,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1
,,,,,,,0,,0,,,TOX26511,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
0,0,0,0,0,0,0,1,0,0,0,0,TOX27104,CCCC/C=C/C=C\C=O
0,0,0,,0,0,0,0,0,0,0,0,TOX27106,CC(C)=CCCC(C)CC(=O)O
0,0,0,0,,0,0,0,0,0,0,0,TOX27101,CCc1nccnc1CC
0,0,0,0,0,0,,,0,0,0,0,TOX828,COc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21528,N#Cc1ccncc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5896,C[C@@H](N)[C@@H](O)c1ccccc1
0,,0,,,,,,,,,,TOX27102,CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN
0,0,,,,0,0,,0,0,0,0,TOX21524,O=[N+]([O-])c1cc[n+]([O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21527,CC1(C)CC(=O)CC(C)(C)N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26986,O=C(O)C(O)C(O)C(=O)O
,,,,,,,,,0,,,TOX26513,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C
0,0,0,,,0,0,0,0,1,0,0,TOX6811,Sc1ccccc1
1,0,1,,,0,0,,1,0,1,0,TOX26279,COc1ccc2nc(NC(=O)Nc3ccccc3)sc2c1
,,,,,,,0,,0,,,TOX26271,CN1CCN(c2cc3c(nn2)Oc2ccccc2N3C)CC1
0,0,1,,,,,0,1,,,,TOX26272,O=C(N/N=C/c1ccccc1O)c1ccncc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26273,Cc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
0,1,1,1,0,,,,0,1,1,1,TOX26274,CC(O)C(=O)O.CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
0,,1,,,0,,1,,0,1,,TOX26277,O=C(Nc1ncc([N+](=O)[O-])s1)c1cccs1
0,0,,0,0,0,0,0,0,0,0,0,TOX27278,CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27274,CC(Cc1ccc(OCC(=O)O)cc1)NCC(O)c1csc(C(F)(F)F)n1
0,0,0,0,1,0,0,1,0,0,,0,TOX27270,O=c1[nH]c2ccc(S(=O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1
0,0,0,0,,0,0,,0,0,0,0,TOX20721,O=C1CCC(C2CCCCC2)CC1
0,0,0,0,,0,0,0,0,0,0,0,TOX20722,OC1CCC(C2CCCCC2)CC1
0,0,1,0,,0,,1,0,,,,TOX20723,O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX20726,Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
0,0,0,1,0,0,0,0,0,0,0,0,TOX20727,OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F
0,0,0,0,1,,0,0,0,0,0,0,TOX20728,CCCCOP(=O)(O)OCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2086,NC(=O)c1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22382,CCCO[Si](OCCC)(OCCC)OCCC
0,,,,,0,,,,,1,,TOX26858,CCCCCCCCCCCC[n+]1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4710,CCCC(=O)Cl
0,0,0,0,0,0,0,0,0,1,0,0,TOX1543,CCCCCCCCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1544,Oc1ccccc1Cl
0,0,0,0,0,,0,0,0,0,0,0,TOX1545,CC(Cl)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1546,O=C(O)CCCl
0,0,0,,0,0,0,0,0,0,0,0,TOX4715,O=[Cd]
0,0,0,0,0,0,0,0,0,0,0,0,TOX27493,COc1ccc(OC)c(C(O)CNC(=O)CN)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27491,CSc1cnccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27490,C=CC(C)(CCC=C(C)C)OC(=O)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27497,CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
0,0,0,0,0,0,0,0,0,1,0,0,TOX7258,CC(C)OC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7259,N#Cc1cccc(C#N)c1
0,0,0,0,0,0,0,1,0,0,0,0,TOX7253,CCOC(=O)/C=C/C(=O)OCC
0,0,,0,0,0,0,0,0,0,0,0,TOX7254,CCC(C)COC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21891,c1ccc(Cc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28585,C[C@H]1CNCCc2ccc(Cl)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX28586,Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1
0,0,0,0,0,0,0,0,0,0,,0,TOX21892,O=S(=O)(c1ccccc1)c1ccccc1
0,0,1,,1,1,0,0,0,0,,0,TOX24607,CCC(C)OC(=O)c1ccc(O)cc1
0,1,,,,0,1,,1,,1,1,TOX21897,[O-][n+]1ccccc1SSc1cccc[n+]1[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24604,C=COCC1CCC(COC=C)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24609,N#Cc1c(F)cccc1F
,,,,,,,0,,0,,,TOX28588,CC(O)CN1CCN(CC(=O)[O-])CCN(CC(=O)[O-])CCN(CC(=O)[O-])CC1.[Gd+3]
0,0,0,0,0,0,0,,0,0,0,0,TOX28728,Nc1c(NC/C=C\COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX28729,CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)n1c(=O)[nH]c3ccccc31)C2
0,0,0,0,0,0,0,,0,,0,0,TOX21091,C1CCc2nnnn2CC1
0,0,,,,0,1,1,0,0,0,0,TOX28721,CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1
0,0,,,0,0,,0,0,0,,0,TOX28722,CCCCCOc1ccc(C2SC(=O)NC2=O)cc1OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX28723,CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1
0,,0,,,0,,,,,0,,TOX28724,CCCCCCCCCCCCCCCCCCNC(=O)OC1CCN(C(=O)OC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccccc2OC)OC)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28725,CCOC(=O)c1ccc(OCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1
0,0,,0,0,0,,1,,0,,,TOX27809,CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX27805,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1
,,,,,,,,,0,,,TOX27802,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX6252,c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX6258,ClCCOP(OCCCl)OCCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX5041,CCOC(=O)OCC
0,0,0,,0,0,0,,0,0,1,0,TOX5040,CCN(C(=O)N(CC)c1ccccc1)c1ccccc1
0,1,0,,1,0,1,1,1,,0,0,TOX5045,C=CC(=O)OCCOCCOC(=O)C=C
0,0,,0,1,0,0,0,0,0,,0,TOX5047,CCOCCOCCOCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2018,CCOP(=S)(OCC)SCCSCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5049,COCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2016,C1CN2CCN1CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX2014,COc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2010,CCCCCCCC/C=C\CCCCCCCCO
0,0,0,0,0,0,0,,0,0,0,0,TOX9874,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3930,ClC(Cl)(Cl)Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX777,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX771,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1
0,0,0,0,0,0,,1,0,,1,,TOX779,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX778,C=C(C)[C@H]1CC=C(C)CC1
0,,1,0,0,0,1,0,0,0,1,0,TOX3050,O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1
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0,0,0,0,0,0,0,0,0,0,1,0,TOX12424,CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c([N+](=O)[O-])c1
0,0,,0,,1,1,,1,1,1,,TOX1239,CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)O)C(C)(C)CCC1
0,0,1,0,0,0,0,0,0,0,0,0,TOX6665,N#Cc1cccnc1
0,0,0,,0,0,0,0,0,0,,,TOX17706,O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,,0,0,0,,,0,0,,1,,TOX4608,O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25265,Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX5363,O=C(O)CO
0,0,0,0,1,0,0,0,0,0,0,0,TOX5364,O=CC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX805,CC1CCC(C(C)C)C(O)C1
0,0,0,0,1,0,0,0,0,0,0,0,TOX552,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O
0,0,1,0,0,0,1,1,0,1,1,0,TOX807,Sc1nc2ccccc2s1
0,0,0,0,,0,0,1,0,0,0,0,TOX2420,NCCc1ccc(O)c(O)c1
1,0,0,0,1,0,0,0,0,0,1,0,TOX803,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
0,0,0,1,,0,,,,0,,0,TOX2980,CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21
0,0,0,0,0,0,0,0,0,0,,0,TOX29091,CCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,,0,,0,0,TOX26517,N=C(N)n1cccn1
0,0,0,0,,0,0,,0,,0,0,TOX26516,FC(F)(F)COCC(F)(F)F
0,0,0,0,1,0,0,0,0,0,0,0,TOX26510,CCC(C(N)=O)N1CCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26045,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
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0,0,1,,1,0,0,,0,0,1,1,TOX29099,CC(=O)c1ccc2ccc3ccccc3c2c1
0,0,0,0,0,0,0,,0,0,0,0,TOX22602,COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)cc2)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX4603,[Be+2]
0,0,0,0,0,0,0,0,0,0,,0,TOX7829,COCCOCCOCCOCCO
0,0,0,,0,0,0,0,0,0,0,0,TOX7537,Cc1cccc(Oc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7536,CCCCCCCCCCCCCCCCCCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7826,O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1
0,0,,0,0,0,0,0,0,0,0,0,TOX7823,CC/C(C)=N/O[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7822,CC(C)(C)C(=O)C(Cl)Cl
0,0,,0,0,0,0,0,0,0,0,0,TOX14864,CCCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)c(=O)n1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27394,CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(C)=O)OC(C)=O)OC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX27395,CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX27644,c1ccc2cnccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27642,C=CC(C)(CCC=C(C)C)OC=O
0,0,1,0,,0,,,0,,0,0,TOX27391,Cc1nc(-c2ccccn2)ncc1C(=O)Nn1cc(C)c2cc(F)ccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX27399,CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27648,CC(=O)OCCCc1ccccc1
0,0,,0,0,0,0,0,0,0,0,0,TOX27649,COc1ccc(COC=O)cc1
0,0,,0,0,0,0,,0,,1,0,TOX21774,Oc1ccc(Cl)c2c1CCC2
0,,0,,,0,,1,0,,1,1,TOX21772,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
0,1,0,0,1,1,0,0,0,0,0,0,TOX24247,OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
0,0,0,0,,0,0,0,0,0,0,0,TOX27029,FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(C1(F)F)C(F)(F)C(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
0,0,0,0,0,0,0,0,0,0,0,0,TOX3688,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
0,0,0,0,,0,0,0,0,0,0,0,TOX27027,CC(C)CC(C)CC(C)CC(C)COC(=O)c1ccccc1C(=O)OCC(C)CC(C)CC(C)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1477,F[B-](F)(F)F
,,,,,,,0,,0,,,TOX1096,c1ccc2sc(SN3CCOCC3)nc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2835,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
0,0,0,0,0,0,0,,0,,0,0,TOX2839,CC(C)/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX24754,C=CCOC(=O)CCCCCC
0,,,,,0,0,,0,1,1,1,TOX21985,O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25695,COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
0,0,,0,0,0,0,,0,0,0,0,TOX9707,O=S(=O)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1288,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9703,O=S(=O)([O-])[S-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX6060,CC(=O)NS(=O)(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1282,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,1,0,0,TOX6068,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1284,C=Cc1ccccc1
1,0,0,0,0,0,0,0,0,,0,1,TOX5670,Cc1cc(=O)oc2cc(O)ccc12
0,0,,,0,0,0,0,0,0,,0,TOX2958,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
0,1,0,0,1,0,0,1,0,,0,,TOX2959,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]
0,0,1,,,0,0,1,0,0,1,0,TOX25899,CCCCCCOc1ccccc1C(N)=O
1,,0,,0,0,0,,,,1,1,TOX25895,CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25897,O=C1C(O)=C(O)C(=O)C(O)=C1O
,,,,,,,0,,0,,,TOX25896,CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,0,,0,0,0,,0,,0,0,TOX25890,CCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
0,0,1,0,0,0,0,,0,0,0,0,TOX25892,COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2480,CCc1cccc(O)c1
0,,0,,1,,0,,0,,1,0,TOX16684,O=C(c1ccccc1)c1ccc(O)cc1
0,0,,,1,,,1,0,1,1,,TOX2485,Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2489,O=C(O)/C=C/c1ccccc1
1,1,0,0,1,0,0,0,0,0,0,0,TOX20554,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26241,CCCCCCCCCCCCOCCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX25492,CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O
0,,0,0,0,0,0,,0,,0,0,TOX26240,COc1ccc(C(=O)CCC(=O)O)c2ccccc12
0,0,0,0,0,0,0,,0,,0,0,TOX28913,O=C(OCCO)c1ccccc1O
0,0,0,0,0,0,0,,0,,0,0,TOX28912,O=C([O-])CC(S[Au])C(=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX28917,CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28918,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
0,0,0,0,0,0,0,,0,,0,0,TOX25094,C1CNCCN1.C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
0,0,0,1,,0,0,,0,,1,0,TOX25091,CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX26714,CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX3533,NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
,,0,,,,,,,0,1,0,TOX3532,C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3536,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1027,O=NN(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1026,CCCCN(CCCC)N=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1757,C#CC1(O)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4504,Nc1cccc2c(O)nnc(O)c12
0,0,0,0,0,0,0,0,0,0,,0,TOX1751,OCC(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX1022,CC(=O)CN(CC(C)=O)N=O
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0,0,0,0,0,0,0,0,0,0,0,0,TOX1752,CC(=O)C(C)(C)C
0,,0,1,,0,,,0,1,1,,TOX21851,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1759,CC(C)CO
0,0,0,,0,0,0,,0,0,0,0,TOX1758,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC
0,0,,0,0,0,0,0,0,0,0,0,TOX4509,Nc1nc(CC(=O)O)cs1
0,0,0,0,0,0,0,0,0,0,,0,TOX4508,Nc1nccs1
0,0,0,0,,0,0,0,0,0,0,0,TOX2227,CN(C)CCCCl
0,,1,,,0,,,0,1,1,,TOX2220,Oc1cc(Cl)c(Cl)c(Cl)c1Cl
,,,,,,,0,,0,,,TOX22002,Nc1ccc(C(=O)OCC(O)CO)cc1
0,0,0,0,,0,0,0,,0,,0,TOX21178,[N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)[O-])C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24414,Nc1cc(C(=O)O)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX3286,COc1ccccc1OCC(O)COC(N)=O
0,0,0,0,0,0,0,,0,,0,0,TOX3281,CC(=O)N=c1sc(S(N)(=O)=O)nn1C
0,0,,0,0,0,0,,0,,0,0,TOX3280,CCC1(CC)C(=O)NC(=O)N(C)C1=O
0,0,,0,0,0,0,0,0,0,0,0,TOX24411,CN1C(C)(C)CC(O)CC1(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX12309,CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl
0,0,0,0,1,0,0,0,0,0,0,0,TOX12303,CCCC/C=C\CCCCCCCCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX128,CCC1(CC)C(=O)N=C([O-])NC1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX129,O=C1CC(=O)NC(=O)N1
0,0,0,0,1,0,0,0,0,0,0,0,TOX123,c1ccc(N=Nc2ccccc2)cc1
0,,0,,,,,1,,,,,TOX120,CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1
0,0,0,0,1,0,0,0,0,0,0,0,TOX127,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
0,,0,,,0,,,,1,1,,TOX21188,C/C(=C\c1ccccc1)[N+](=O)[O-]
0,0,,0,0,0,0,0,0,0,0,0,TOX24354,CCCCN(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX21185,N#CCc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX21184,C=C1CC[C@H]2C[C@@H]1C2(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX24353,CCOC(=O)Cc1ccccc1
0,,0,,,0,0,0,0,0,1,,TOX21547,Cc1cc(O)c(C(C)C)cc1Cl
0,0,,0,0,0,0,1,0,0,0,0,TOX21545,O=c1[nH]c2ccc(Cl)cc2o1
0,0,1,0,0,0,0,0,0,0,,0,TOX28671,CC1CC(=O)NN=C1c1ccc(NCC(C)(C)NCC(O)COc2cc(Cl)ccc2C#N)cc1
0,0,1,0,0,0,0,,0,0,0,0,TOX21541,CC(C)CCC(=O)CCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5873,O=C(O)COc1ccccc1
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0,0,,,0,0,,0,0,0,0,0,TOX29393,O=C1CCN(c2ccccc2)N1
0,,1,0,,,,1,0,0,1,1,TOX29390,CC(C)=CCC1=C(O)C(=O)c2ccccc2C1=O
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1,0,,,0,0,0,,0,,0,0,TOX25699,C#CCOc1ccc2c(C)cc(=O)oc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26891,Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br
0,0,,0,0,0,0,0,0,0,0,0,TOX17750,CC/C=C\CCOC(=O)c1ccccc1O
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0,0,0,0,0,0,0,0,0,0,0,0,TOX6830,CC(C)(O)CCC(C)(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6838,CCCCCCCCCCCCCC(=O)OC(C)C
0,,1,,0,0,0,1,1,1,1,0,TOX3201,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
0,0,1,,,0,0,1,0,0,0,0,TOX3200,Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
0,0,0,0,0,0,0,,0,,0,0,TOX26700,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
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,,,,,,,0,,,,,TOX26705,CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
0,0,,0,0,0,0,0,0,0,0,0,TOX26706,NC(=O)N[C@@H](CCC(=O)O)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX26259,O=C1CC[C@@H](C(=O)N[C@H]2C[C@@H]2c2ccccc2)N1
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0,0,,0,0,0,,,0,,,0,TOX26252,c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1
0,,1,,,0,0,,0,,1,0,TOX26253,CNC(=O)Oc1ccccc1C(=O)Nc1ccccc1
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0,0,0,0,,0,1,1,0,0,0,,TOX22011,CCCCCCCCCCCC(=O)N(C)CC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22014,ON=CC=NO
0,0,0,,,0,0,,0,0,,0,TOX27251,COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
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0,,0,1,,,,1,,,,,TOX27899,CCCCCCCCCCCCCCCCn1cc[n+](C)c1
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0,,0,,0,0,1,0,0,0,0,0,TOX20705,O=C(O)c1cc(-c2ccccc2)nc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX20702,Cc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX20703,CC(C)(C)c1ccc(C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20700,CO[Si](OC)(OC)c1ccccc1
0,0,0,,0,0,0,,0,0,,0,TOX20701,CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
0,0,,,1,0,,,0,0,,0,TOX20708,CCCCCCc1ccc(N)cc1
0,,1,0,,0,0,,1,0,0,0,TOX4081,O=C(O)C1C2CCC(O2)C1C(=O)O
0,0,1,,1,0,0,0,0,0,,0,TOX4086,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4087,CCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX4085,O=P(O)(O)CCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1411,O=P(OCCCl)(OCCCl)OCCCl
1,1,0,0,0,0,0,0,0,0,0,0,TOX1414,CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX10428,O=Cc1ccc(CO)o1
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,,0,,0,0,,1,0,0,0,0,TOX1562,N#CC(Cl)Cl
0,0,,0,0,0,0,1,0,1,1,,TOX1563,Oc1cc(O)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1561,NC(=O)C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX1565,CC(Cl)C(C)Cl
0,0,,0,0,0,0,0,0,0,0,0,TOX24621,C[Si](C)(CCCN)O[Si](C)(C)CCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX24620,COC(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1
0,0,0,,0,,0,1,0,,0,0,TOX24623,C=CC(=O)OCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24622,CCOC(=O)/C=C(/C)O[AlH3](OC(C)CC)OC(C)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24625,O=CN(CCO)CCO
0,0,0,0,0,0,0,1,0,0,0,0,TOX24626,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
0,0,0,0,0,0,0,0,0,0,0,0,TOX28708,O=C(COCCOCCOCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX28709,O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1
0,0,0,,0,0,,0,0,0,1,0,TOX28706,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28707,C[N+]1(CC2COC(c3ccccc3)(c3ccccc3)O2)CCCCC1
0,0,0,0,0,0,,0,0,0,,0,TOX28704,O=C(CCCCCCCCC#CI)Oc1ccccc1
0,0,1,,,0,0,1,0,0,0,0,TOX28702,O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCCC2
0,1,,0,0,0,,1,0,0,0,0,TOX27820,NC1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
0,1,0,0,,1,,1,0,0,1,1,TOX27821,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27826,C#CCN[C@@H]1CCc2ccccc21
0,0,0,0,0,0,,0,0,0,0,1,TOX27827,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
0,0,,,,0,0,,1,0,,0,TOX27824,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2
0,0,0,0,0,0,0,,0,,0,0,TOX27825,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
0,0,0,0,0,0,0,,0,,0,0,TOX27828,O=C(OCCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1
0,0,1,,,,,,0,,,0,TOX27829,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX6238,CN(C)C
0,0,,0,0,0,0,,0,1,,0,TOX6232,CCCC(=O)c1cc(O)c(O)cc1O
0,0,0,0,0,0,0,0,0,,1,0,TOX6231,Oc1cccc2cc3cccc(O)c3c(O)c12
0,0,0,0,0,,0,0,0,0,0,0,TOX9910,CC=C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX5023,C1=CC2C3C=CC(C3)C2C1
0,0,0,,0,0,,,0,0,1,0,TOX5021,O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2035,CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27,C=CC(N)=O
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0,,0,1,0,0,0,0,0,0,0,0,TOX22,O=C(O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,0,0,0,0,0,1,0,0,0,0,TOX23,C=CC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX20,CC(=O)Nc1ccc(CC(=O)O)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX21,CC(=O)N[C@@H](CS)C(=O)O
0,0,,0,1,0,0,0,0,0,0,0,TOX710,c1ccc(NNc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX713,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
1,1,0,,1,0,0,0,0,0,0,0,TOX714,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
0,0,,,1,1,,1,1,0,1,1,TOX717,Oc1ccc(OCc2ccccc2)cc1
0,0,1,0,0,0,0,1,0,0,0,,TOX716,Oc1ccc(O)cc1
0,0,0,0,1,1,0,,0,,0,0,TOX26674,CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
,,,,,,,,,0,,,TOX5264,CCOCCOC(=O)C=Cc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX12442,O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25281,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
0,0,0,,0,0,0,1,0,,0,0,TOX24752,C=CCOC(=O)/C=C\C(=O)OCC=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25287,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6640,CC(C)c1cccc(C(C)C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6641,O=C(Cl)c1cccc(C(=O)Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6647,O=C(O)c1ccc(O)cc1
,,,,,,,1,,1,,,TOX26675,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
0,,0,0,0,0,,,0,0,,0,TOX2932,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
,1,0,,,0,,,,0,1,1,TOX2933,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX829,COC(C(=O)O)c1ccccc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX3815,O=C(O)C(Br)Br
0,0,0,,1,,0,0,0,,1,,TOX827,COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1
0,,1,,0,1,1,1,1,1,0,0,TOX826,COc1cccc(O)c1O
0,0,1,,1,0,0,0,0,1,1,0,TOX825,COc1cc2c(cc1N)oc1ccccc12
0,0,0,0,0,0,,,0,0,0,1,TOX822,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
0,,1,,1,0,0,0,1,1,1,1,TOX13757,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17680,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21
0,0,0,0,0,0,0,0,0,0,,0,TOX4864,CC=CC=O
0,0,0,0,0,0,0,,,,1,0,TOX2938,CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C
0,0,1,0,1,0,0,,0,0,1,0,TOX4861,Cc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
0,0,0,0,0,0,,0,0,0,,0,TOX4862,Cc1ccccc1OCC1CO1
0,0,0,0,0,0,0,,0,1,0,0,TOX4869,CC(C)(OO)c1ccccc1
0,0,0,,0,0,0,,0,,,0,TOX3076,CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX83,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7518,CCCCO[AlH3](OCCCC)OCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7513,C=CS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7512,CN(C)CCOCCN(C)C
0,0,,0,0,0,0,0,0,0,0,0,TOX14844,CC(C)(C#N)Nc1nc(Cl)nc(NC2CC2)n1
0,0,0,0,,0,0,,0,,0,0,TOX26061,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX26060,CCOc1ccc(C(=O)OCCN(CC)CC)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26063,COC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
1,1,0,,,0,0,0,0,0,0,0,TOX26067,C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27628,C1CCC(SSC2CCCCC2)CC1
0,0,0,,0,0,1,,0,,0,0,TOX27629,CCCCCCCCCC(C)C=O
0,0,1,0,1,0,0,0,0,0,0,0,TOX10162,CC(=O)c1nccs1
0,0,0,,0,0,0,0,0,,0,0,TOX27622,O=C1CCCCCCCCCCCCCCCO1
0,0,,0,0,0,0,0,0,0,0,0,TOX27623,CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC
0,,,,,0,1,,1,0,1,1,TOX21752,C[C@]12C(=O)OC(=O)[C@@]1(C)C1CCC2O1
0,,0,0,,0,,1,0,,0,0,TOX2601,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2
,,,,,,,1,,,,,TOX26399,NC(=O)C(=O)NN=Cc1ccc([N+](=O)[O-])o1
,,,,,,,1,,,,,TOX26398,CC(=O)N/N=C/c1ccc([N+](=O)[O-])o1
0,0,0,0,0,0,0,,0,,0,0,TOX26397,Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1
0,0,0,0,0,0,,0,0,0,,0,TOX26396,Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX26395,Cc1ccc(S(=O)(=O)NC(=O)NC2CCCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26392,NC(=S)N/N=C/c1cccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13371,OC1CCCC1
0,1,0,0,0,0,0,0,0,0,0,0,TOX2858,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
0,0,,0,0,0,,0,0,0,,0,TOX2851,CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1
,,,,,,,0,,0,,,TOX2850,CC(C)(N)Cc1ccccc1Cl
0,0,0,0,,0,,,0,0,,0,TOX2855,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
,,,,,,,0,,0,,,TOX2854,O=C1CN2CCOC2(c2ccccc2Cl)c2cc(Cl)ccc2N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6178,O=c1nc([O-])n(Cl)c(=O)n1Cl
0,0,0,0,0,0,0,,0,0,0,0,TOX25871,CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX5610,COC(=O)c1ccc(C=O)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX5611,Cc1ccco1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5612,CC(C#N)CCC#N
,1,0,1,1,1,,,,0,1,1,TOX2934,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5617,Cc1c[nH]cn1
0,0,0,0,0,0,0,,0,,0,0,TOX20395,CCCCCC(O)/C=C/C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26938,Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25400,Cn1c([N+](=O)[O-])cnc1COC(N)=O
0,0,,1,,1,0,0,0,0,0,0,TOX22220,OC(c1ccc(F)cc1)(c1cncnc1)c1ccccc1Cl
0,0,0,,0,0,,1,0,,0,1,TOX24872,c1cc(OCC2CO2)ccc1Cc1ccc(OCC2CO2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX25704,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
0,0,0,0,0,0,0,0,0,0,0,0,TOX25707,COC(=O)c1cncn1C(C)c1ccccc1
0,0,1,,,0,0,,,,,1,TOX25706,COc1cc(NCCCC(C)N)c2ncccc2c1
0,0,0,0,0,0,0,,0,0,,1,TOX25700,c1ccc(-c2nc[nH]c2-c2ccccc2)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX25703,NC(=O)N1c2ccccc2CC(=O)c2ccccc21
0,0,0,,0,0,0,0,0,0,0,0,TOX25702,CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C
0,0,0,0,0,0,0,,0,0,0,0,TOX25878,O=C(O)c1cc(=O)c2ccccc2o1
0,0,0,0,0,0,0,,0,,0,0,TOX25708,CNC(=O)OCc1cccc(COC(=O)NC)n1
0,1,,,,,,,,,0,1,TOX20579,C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21
0,0,0,0,0,0,0,0,0,0,,0,TOX14212,CCCN(CC)CC1COC2(CCC(C(C)(C)C)CC2)O1
0,,,,,,,,0,,1,,TOX14210,CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]
1,1,,,0,0,0,,0,,1,0,TOX28931,C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C
0,0,0,0,,0,0,,0,,0,0,TOX28930,COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28933,CC(C)C(=O)c1c(C(C)C)nn2ccccc12
,,,,,,,0,,0,,,TOX28932,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX28935,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
0,0,0,0,0,0,0,,0,,0,0,TOX28936,CCN(CC)CCn1c(=O)c(Cc2ccc(OC)cc2)nc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX4691,CCCCOCC1CO1
0,0,0,0,0,0,0,,0,0,0,0,TOX29315,CCCCn1cc[n+](C)c1C.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX4699,CC(C)(C)OOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7358,O=C1[N-]C(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX7356,C=C[Si](OCCOC)(OCCOC)OCCOC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7352,CCCCCCCCCCCl
0,0,0,0,0,0,1,0,0,0,0,0,TOX3519,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3516,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3510,CCC1(c2ccccc2)C(=O)NCNC1=O
0,0,0,0,1,,0,0,0,0,0,0,TOX4521,CCC(C)(C)OC
1,1,0,,1,1,0,0,0,0,0,0,TOX4523,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4522,CCCCCON=O
0,0,0,0,0,0,0,0,0,1,0,0,TOX1006,CN(N=O)C(N)=O
0,0,,0,0,0,,1,0,0,,0,TOX4529,COc1cccc(N)c1
0,0,0,,0,0,0,,0,,0,0,TOX24772,CC(C)=CCCC(C)CCOC=O
0,0,0,0,0,0,,0,0,0,,0,TOX13187,CN(C)CCC=C1c2ccccc2CCc2ccccc21
0,0,0,,,0,,,0,,1,,TOX21115,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX21117,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24470,CCC(=O)c1ccccc1
0,0,,,1,0,0,0,1,0,1,0,TOX17745,CC(C)(C)c1ccc(OC(=O)c2ccccc2O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24472,CCOC(=O)C(=O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24473,O=S(=O)(O)c1ccc(Cl)cc1
0,0,1,,,,0,1,0,,,,TOX17749,O=C(Nc1ccccc1)c1cc(Cl)ccc1O
0,0,0,0,0,0,0,1,0,0,0,0,TOX12327,CNC(=O)Oc1cccc2c1OC(C)(C)O2
0,0,0,0,1,0,0,0,0,0,0,0,TOX106,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
0,0,1,0,0,0,0,0,0,0,,0,TOX107,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX452,C1C2OC2C2C1C1CC2C2OC12
0,,0,,,,0,,0,0,1,0,TOX453,ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H]1O[C@@H]41
0,0,0,,,,,,0,,1,,TOX450,OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
1,1,0,0,1,0,,,0,,0,,TOX103,O1[As]2O[As]3O[As]1O[As](O2)O3
0,0,1,0,0,0,0,1,0,0,1,0,TOX458,CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX459,CCN(CC)C(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX13983,O=S(=O)([O-])O.[Na+]
1,0,0,0,0,0,0,1,0,0,0,0,TOX13989,Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29364,N#C[N-]C#N
0,0,1,,,0,0,,0,1,0,1,TOX24309,c1cnc2c(c1)ccc1cccnc12
0,0,0,0,0,0,0,,0,0,0,0,TOX5854,ClSC(Cl)(Cl)Cl
0,0,,0,0,0,0,0,0,0,,0,TOX5850,CCC=CC#N
0,0,0,,,0,0,0,0,0,,0,TOX5851,CC=CCC#N
0,0,0,0,0,0,0,,0,,0,0,TOX21567,CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX12582,NCCO.O=C(O)c1nc(Cl)ccc1Cl
0,,0,0,0,0,1,,0,,1,1,TOX12589,O=c1oc2ccccc2c(O)c1C(CC(O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1
0,0,0,0,0,0,0,1,0,0,,0,TOX4983,N[Pt](N)(Cl)Cl
,,0,0,0,0,0,0,0,0,0,0,TOX4981,O=C(O)c1cc(Cl)cc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4980,O=C(O)c1ccc(Cl)c(Cl)c1
0,0,0,0,,0,0,,0,0,1,0,TOX4986,O=S(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX4985,CC1(C)C(=O)N(Cl)C(=O)N1Cl
0,0,,,1,0,0,,1,0,,0,TOX5581,CC[C@H](C)COC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX8005,O=Cc1cccc(Oc2ccccc2)c1
,,0,,0,0,0,0,0,0,0,0,TOX5587,CC(C=O)=Cc1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX5588,Cc1ccc2oc(=O)ccc2c1
0,,,,,,1,1,,1,1,,TOX14981,CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21672,CCOC(=S)SSC(=S)OCC
0,0,0,1,1,1,,,0,,,,TOX14187,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
0,,0,,,0,,0,,0,0,1,TOX27283,CC[C@H]1CC[C@H](NCc2cc3c(cc2OC)[C@H]2C[C@H]2C(=O)N3C)[C@H](c2ccccc2)N1
0,0,0,0,1,,0,,0,,1,0,TOX26234,NC(=O)Oc1ccc(Cc2ccccc2)cc1
1,1,1,0,0,0,0,0,0,0,0,0,TOX26727,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1
0,0,0,0,0,0,0,1,0,0,,0,TOX26724,FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1
0,0,1,0,0,0,0,,0,0,0,0,TOX26725,Oc1cn2c(n1)Nc1ccc(Cl)c(Cl)c1C2
1,1,,,1,0,0,,,,0,0,TOX26722,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1cccc(S(=O)(=O)[O-])c1
0,,0,,,,1,,1,,0,1,TOX26231,COc1ccc(C(=O)/C(Br)=C\C(=O)O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26720,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
0,0,,0,0,0,0,0,0,0,0,0,TOX26721,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)COc2ccc(OC)cc2)[C@@H]1OC
0,0,,0,1,0,0,,0,,0,0,TOX26729,CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])O)C(O)C(=O)NCCC(=O)NCCS
0,0,0,0,1,0,0,0,0,0,0,0,TOX4320,Clc1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22038,CCCCCCCOC(=O)CCC
0,0,0,0,0,0,0,0,0,0,,0,TOX4328,CCOP(=S)(OCC)OP(=S)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7982,CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7983,CCC(O)OCCCOC
0,,0,,,0,,,0,,1,0,TOX4064,O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1
0,0,0,0,,0,0,1,0,0,0,0,TOX4065,O=[N+]([O-])c1cccc([N+](=O)[O-])c1
0,0,1,,0,0,0,1,0,0,1,0,TOX4066,O=[N+]([O-])c1ccccc1[N+](=O)[O-]
0,,0,0,0,0,1,1,0,0,,0,TOX3636,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4062,Cc1ccc(O)cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX4063,Cc1cccc(C)c1O
,,,,,,,0,,0,,,TOX3630,C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O
,,,,,,,0,,0,,,TOX31539,O=C(O)c1c(O)c(-c2ccccc2)nc2ccccc12
,,,,,,,0,,0,,,TOX31533,COc1ccc([C@@H]2Sc3ccccc3NC(=O)[C@@H]2O)cc1
,,,,,,,0,,0,,,TOX31532,CN1C2CCC(C)(C)C1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2
,,,,,,,0,,0,,,TOX31530,CCc1cccc2c(CCO)c[nH]c12
,,,,,,,0,,0,,,TOX31537,CCC(=O)C(CCN(C)C)(c1ccccc1)c1ccccc1
,,,,,,,0,,0,,,TOX31535,CCC(C(=O)OCCN1CCOC(c2ccccc2)C1C)c1ccccc1
,,,,,,,0,,0,,,TOX31534,CC(C)(C)c1ccc(C(=O)CCCCl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6,CC(=O)Nc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5,CC(N)=O
0,,,1,,,,,0,,1,,TOX2,CC=O
0,0,0,0,0,0,,1,0,0,0,0,TOX20765,COC(=O)/C=C\C(=O)OC
0,,1,,,,,,0,1,1,1,TOX20767,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
0,0,,,0,0,1,,0,,,,TOX20760,Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9,CC#N
0,0,0,,0,0,0,,0,,,0,TOX28540,COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC
0,0,0,1,0,0,0,,0,1,1,0,TOX24869,c1ccc(CCCc2ccncc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28544,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](c3ccccc3)S(=O)(=O)[O-])C(=O)N2[C@H]1C(=O)[O-]
0,,1,,,0,0,,0,,,,TOX28545,Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)CC3)c1
1,1,,,1,1,0,,0,,,0,TOX28899,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24863,CCOC(=O)CC(C(C)=O)C(C)=O
0,0,0,0,0,0,,1,0,0,0,,TOX28549,Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)OCCO)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX24860,Cc1cccc(N)n1
,,,,,,,0,,0,,,TOX28891,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])c2ccccc2)C(=O)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28764,COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC
0,0,0,0,,,0,0,0,0,,1,TOX28765,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)Oc3ccccc3NC2=O)cc1
0,0,0,0,0,0,,0,0,0,0,0,TOX28760,COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F
0,0,0,0,0,0,0,0,0,,,0,TOX28761,CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28762,O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2ncccn2)CC1
0,,1,,1,1,,,0,,,0,TOX28768,CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1
0,0,0,1,0,0,0,,0,0,0,,TOX28769,CCOP(=O)(CC)Oc1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9247,CC(C)(O)c1ccc(C(C)(C)O)cc1
0,0,1,,,0,,1,0,0,1,1,TOX6214,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
0,,0,,,,,,0,,1,,TOX9241,CC(C)(c1ccccc1)c1ccc(O)c(C(C)(C)c2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9240,C=C[Si](OC)(OC)OC
0,0,1,0,1,1,0,,0,0,,0,TOX6219,CCCCCCCCCCCCCCCCCC(=O)[O-].OCC[NH+](CCO)CCO
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0,0,,0,,1,0,1,0,0,1,0,TOX5005,Oc1ccc(Cl)c(Cl)c1
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0,0,0,0,0,0,0,,0,0,0,0,TOX2051,Cc1ccccc1C=O
0,0,0,,0,0,0,,0,0,1,,TOX5006,Oc1cc(Cl)cc(Cl)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX5001,Oc1cccc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2056,Clc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX5003,Oc1cc(Cl)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2058,CCCCSCCCC
0,0,0,,0,0,,,0,,,,TOX25110,CCc1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2
0,0,,0,0,0,0,,0,,0,0,TOX25112,c1cc2c(c(NC3=NCCN3)c1)CCCC2
0,0,0,0,0,0,0,,0,,0,0,TOX25114,NS(=O)(=O)c1cc2c(cc1Cl)NC(Cc1ccccc1)NS2(=O)=O
0,0,0,0,,0,0,0,,0,0,0,TOX25116,O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
0,0,1,,1,0,0,1,1,0,0,0,TOX25117,Clc1ccccc1-c1nc(-c2ccncc2)no1
0,0,0,0,,0,1,,0,0,0,0,TOX25118,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
0,0,0,1,0,,0,,0,0,0,1,TOX25119,CC[C@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@@H]32
0,,0,,,0,,1,0,,,0,TOX14402,CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
0,,0,,,0,,0,0,,,,TOX14401,CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C
0,0,1,0,0,0,0,0,0,0,0,0,TOX738,O=C(O)Cc1c[nH]c2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX18756,O=Cc1ccc(F)cc1
0,0,0,0,1,0,0,0,0,0,1,0,TOX732,CC(C)Cc1ccc(C(C)C(=O)O)cc1
0,0,0,,0,,,1,0,1,0,1,TOX730,Oc1cccc2cccnc12
0,0,1,0,0,0,0,0,0,0,0,0,TOX737,c1ccc2[nH]ccc2c1
0,0,1,,0,0,0,,0,0,1,0,TOX12464,CCCSP(=O)(OCC)Oc1ccc(Br)cc1Cl
0,0,,,,0,,,0,0,,0,TOX22584,CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21
0,0,0,0,0,0,,0,0,0,0,0,TOX22583,CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX597,OCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX596,CCc1ccccc1
0,0,0,0,0,0,0,0,0,,0,0,TOX7167,CC(C)(CCl)c1ccccc1
0,0,0,,0,0,0,,0,0,0,0,TOX591,CCOC(=O)C1OC1(C)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7169,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX598,O=S1(=O)OCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX841,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1OC
1,0,0,0,0,0,0,0,0,1,,0,TOX843,CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX22097,CC1OC1C1CCC2(C)OC2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX845,COS(C)(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX844,C=C(C)C(=O)OC
0,,1,,1,0,,1,0,0,1,,TOX847,Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O
0,0,,,0,0,,0,0,0,0,1,TOX846,CN(N=O)C(=N)N[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX1839,NCc1ccccc1
0,1,0,0,0,0,0,0,0,0,1,0,TOX1834,O=[N+]([O-])c1ccc(O)cc1
0,0,0,0,1,0,0,1,0,0,,0,TOX1835,CN(C)c1ccc(C=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1837,CCN(CC)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1831,Cc1cccc([N+](=O)[O-])c1
0,0,1,,1,0,0,0,0,0,0,0,TOX1832,Cc1ccc(N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9668,O=[N+]([O-])[O-].[NH4+]
0,0,0,,0,0,,,0,,,0,TOX23988,CC1=C(C(=O)OCCN(Cc2ccccc2)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(P2(=O)OCC(C)(C)CO2)=C(C)N1
,,0,,,0,0,0,0,0,0,0,TOX6145,c1ccsc1
0,0,0,0,0,0,0,1,0,0,,0,TOX3096,COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C
0,0,,0,0,0,0,,0,,0,0,TOX3097,Cc1cc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NN3CCCCCC3)cc2)no1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24475,CC(C)[C@H]1CC[C@@H](C)CC1=O
0,0,0,0,0,,0,0,0,0,0,,TOX7570,COC1CCC=CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7577,CC(CO)(CO)C(=O)O
0,0,0,0,0,0,,,,,0,0,TOX26009,CC1=C2N=C(C=C3N=C(C(C)=C4N([Co+]C[C@H]5O[C@@H](n6cnc7c(N)ncnc76)[C@H](O)[C@@H]5O)C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)([O-])O[C@@H]4[C@@H](CO)O[C@H](n5cnc6cc(C)c(C)cc65)[C@@H]4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O
0,,,,,0,1,,,,1,1,TOX26008,CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26007,CNCc1ccccc1
0,0,0,0,0,0,0,,0,0,,0,TOX26003,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
,,,,,,,0,,0,,,TOX26000,C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27603,CC(C)CC(=O)OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27601,CC(C)(O)Cc1ccccc1
0,0,0,0,1,0,0,1,0,0,0,0,TOX27606,CCC(=O)OC/C=C/c1ccccc1
0,0,,0,,0,0,,0,0,,0,TOX27355,NC(=O)Cn1c(=O)cc(CCN2CCN(c3nccc4sccc34)CC2)c2ccc(F)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX27604,CCCC(=O)OCCc1ccccc1
0,0,0,,1,0,0,0,1,0,,0,TOX27605,O=C(C=Cc1ccccc1)OCCc1ccccc1
0,0,,,,0,,,0,0,0,0,TOX27358,COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3ccccc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1
0,0,0,,0,0,0,0,0,0,,0,TOX27359,O=C(Oc1ccc(Br)cc1)N1CCN2CCC1CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27608,CC(C)C(=O)OCC=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27609,CCCCC1CCC(=O)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25779,NCCS
0,0,0,0,0,0,0,0,0,0,0,0,TOX2871,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O
0,0,0,,0,0,0,0,0,0,0,0,TOX2870,N[C@@H]1CONC1=O
0,0,0,0,0,0,0,0,0,0,,0,TOX2872,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX26191,O=C(OC1CN2CCC1CC2)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26193,Cc1ccc2c(c1)C1CN(C)CCC1N2
0,,0,0,0,0,,,0,0,0,0,TOX26627,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
0,0,0,0,0,0,0,,0,,0,0,TOX26194,O=C1CCCCC1CN1CCCCC1
0,0,0,0,,0,0,0,0,0,0,0,TOX6029,CC1=CC(=O)/C(=C(/C)[O-])C(=O)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6022,Nc1ccc([As](=O)([O-])O)cc1
0,0,,1,0,0,,0,0,0,,0,TOX20372,Fc1ccc(C2(Cn3cncn3)OC2c2ccccc2Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2918,O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr
,0,0,0,0,0,0,0,0,0,0,0,TOX5639,Cc1cccc([N+](=O)[O-])c1C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX2912,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX2910,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
1,0,0,0,1,0,0,,0,,0,0,TOX2915,NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26911,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
0,0,0,0,0,0,0,1,0,0,,0,TOX26910,NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX26913,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX26912,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX26915,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)[O-]
0,0,0,,,0,0,,0,1,1,0,TOX451,S=C(NC1CCCCC1)NC1CCCCC1
0,0,1,,,,,,0,,,,TOX22206,CCCCCCCCCCCCN1CCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX22209,CCCCCCCCN(C)CCCCCCCC
0,0,,0,0,0,0,0,0,0,0,0,TOX22208,CNC(=O)C(c1ccccc1)c1ccccc1
,,,,,,,0,,0,,,TOX31493,CCOC(=O)N1CCC(=O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14232,CC(Oc1cccc(Cl)c1)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24989,O=Cc1ccc(F)c(Br)c1
0,,0,0,0,0,1,,0,,,0,TOX28959,O=C(O)c1cccc(/C=C2/C[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)C3CCCCC3)O2)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX28958,O=C(O)c1ccccc1S
0,0,0,0,0,0,0,0,0,0,0,0,TOX24985,C=COCCOCCOC=C
0,0,0,0,0,0,0,,0,,0,0,TOX28955,CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](O)COc1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX28954,OCC(O)COc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24980,CN(C)CCCNCCC#N
0,0,0,0,,,0,0,0,0,,0,TOX24982,CN(C1CCCCC1)S(=O)(=O)c1ccccc1N
0,0,0,0,0,0,0,1,0,,0,0,TOX24983,C=CC(=O)OCCOCCOCC
0,0,0,,,0,,1,0,0,,1,TOX1248,C=C(C)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@@H]2C3=O)O1
0,,0,,,,,1,,1,1,1,TOX1247,N=C1C=CC(=C(c2ccc(N)cc2)c2ccc(N)cc2)C=C1
0,,,1,,0,,1,0,1,,1,TOX1243,CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C
0,0,0,0,0,0,0,1,0,0,0,0,TOX1241,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
0,0,0,0,0,1,0,1,0,1,0,0,TOX1240,CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX7370,CO[Si](C)(OC)OC
0,0,1,0,0,0,0,1,0,0,,0,TOX18694,O=C1Nc2ccccc2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1799,CCN(CC)C1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1798,c1ccc2ncccc2c1
0,0,1,0,0,0,0,0,0,0,1,0,TOX25851,CCC(=O)c1c(O)cc(O)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1790,O=[N+]([O-])c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1060,O=NN1CCCCC1
0,0,,,1,0,0,0,0,0,0,0,TOX1795,O=c1c2ccccc2oc2ccccc12
0,0,,0,,0,0,,0,0,0,0,TOX1065,Cc1ccccc1N=O
0,,0,0,,0,,,0,,,0,TOX25856,O=C(O)CN(CC(=O)O)CC1=CC2C(=CC1=O)Oc1cc(O)c(CN(CC(=O)O)CC(=O)O)cc1C21OC(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX694,CN(C)P(=O)(N(C)C)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX696,CCCCCC(N)=O
0,0,1,,0,0,0,,0,,1,0,TOX697,CCCCCCOc1cc(C)c(O)c(C)c1C
0,0,0,,,0,1,,0,1,1,1,TOX690,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
0,0,,0,0,0,0,0,0,0,0,0,TOX7086,CCCCCCC(O)CCCCCCCCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7085,CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC
0,0,0,,,0,,0,0,1,,0,TOX7084,CC(C)OC(=S)[S-]
0,0,0,,0,0,,1,0,,,,TOX2265,CCc1cccc(CC)c1N(COC)C(=O)CCl
0,0,0,0,0,0,0,,0,,0,0,TOX24328,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3792,Cc1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24458,O=S(=O)([O-])CCN1CCN(CCO)CC1
0,0,0,,,0,0,,,0,,0,TOX24459,Cc1c(C2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br
0,0,0,1,,0,0,1,,0,1,0,TOX3796,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO
1,1,0,,1,1,,1,0,1,,,TOX3794,C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
0,,0,,,0,0,,1,0,0,1,TOX21133,O=C(CCCCCCC(=O)Nc1ccccc1)NO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24450,CCCOC(OCCC)OCCC
0,0,0,0,0,0,0,0,0,0,,0,TOX24451,COC(=O)CCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24456,Nc1cc[nH]c(=O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21137,CC[N+](CC)(CC)CC
0,1,0,,0,0,1,0,1,,,,TOX24454,CCOC(=O)CC(=O)CCl
,,,,,,,,,0,,,TOX25588,CNCCc1ccccn1
0,0,0,0,0,0,1,0,0,0,0,0,TOX25587,C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1.C[C@H](C(=O)[O-])c1cccc(Oc2ccccc2)c1
0,0,,0,0,0,0,,0,,,0,TOX25586,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)CC(O)C(=O)O.O=C(O)CC(O)C(=O)O
0,,,,,0,0,0,0,0,1,0,TOX25584,CNC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
0,0,0,0,0,0,0,,0,,0,0,TOX25581,CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]
0,0,0,,,0,,1,0,,0,1,TOX470,c1cc(OCC2CO2)cc(OCC2CO2)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX478,CC1(C)OC(=O)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX479,CNC(=O)CSP(=S)(OC)OC
0,,0,,,0,,,0,1,1,1,TOX1342,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
0,0,,,0,0,0,,0,,0,1,TOX5830,BrC(Br)C(Br)(Br)Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX3132,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
0,0,0,,0,0,0,,0,0,,0,TOX5839,Clc1ccc(C(Cl)(Cl)Cl)c(Cl)c1
0,0,0,,1,0,0,1,,,0,0,TOX25323,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6566,COC(=O)C1CCC(C(=O)OC)CC1
0,0,0,,0,0,0,0,0,0,,0,TOX22441,CNC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C
0,0,0,0,1,0,0,0,0,0,0,0,TOX25320,CCC(C)(CN(C)C)OC(=O)c1ccccc1
0,,0,,,0,,,0,,,0,TOX6563,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO
0,0,0,,0,0,0,,0,,,0,TOX25326,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
0,0,,0,0,0,0,,0,,,0,TOX25325,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC
0,0,0,0,0,0,,,0,0,0,0,TOX25324,O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
1,1,0,0,1,1,0,,0,0,0,0,TOX16496,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX15616,O=[N+]([O-])c1ccccc1[O-]
0,0,,0,0,0,0,,0,0,0,0,TOX587,CCOC(=O)CBr
0,0,0,0,0,0,0,,0,,0,0,TOX26710,NCC(O)c1cccc(O)c1
0,,0,,,,,,0,1,1,,TOX6212,Oc1cc(Cl)c(Cl)c(Cl)c1
0,0,0,0,1,1,0,,0,,0,0,TOX26218,CC(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26748,C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21
0,0,0,0,,0,,,0,,,1,TOX26749,CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C
0,0,1,,0,0,,0,0,0,,0,TOX26744,CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
0,0,1,,,0,0,,,,0,0,TOX26213,CCOc1cc(-c2nccc3cc(OC)c(OC)cc23)cc(OCC)c1OCC
1,,,,1,,0,,0,,0,0,TOX26210,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,,0,,,0,TOX26217,CN1CCC(OC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)CC1
0,0,0,0,0,0,0,1,0,0,,0,TOX26742,N[Pt]1(N)OC(=O)C2(CCC2)C(=O)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26215,CCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22059,CCCC(=O)OCCC(C)C
0,0,1,0,,0,0,0,0,0,,0,TOX22052,C1=Cc2ccccc2C1
0,0,1,0,0,0,0,1,0,0,1,0,TOX22053,O=C(O)C(=O)Cc1c[nH]c2ccccc12
0,0,,,,0,,1,,0,1,1,TOX4300,O=[Se](O)O
0,0,0,,0,0,0,0,0,0,0,0,TOX4303,NC(N)=[Se]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4304,CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7966,O=C([O-])[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
0,0,0,,0,0,1,,0,,0,0,TOX7963,CC(C)CCCCCCCCCCCCCCC(=O)O
0,0,0,1,0,0,0,,0,0,0,0,TOX4046,CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1
0,0,0,,,0,0,1,0,0,0,0,TOX4048,COS(=O)(=O)[O-].Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C
0,0,1,,1,0,0,0,0,0,0,0,TOX4049,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX17697,Cc1ccc(NC=O)c(C)c1
0,0,0,,0,0,0,0,0,0,0,0,TOX27168,CC1(C)C2CCC3(C2)[C@H]1C(=O)CCC3(C)C
0,0,0,,,,0,0,0,0,0,0,TOX27163,CC(=O)c1ccc2c(c1)CCCC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27161,CC(=O)CCc1ccc2c(c1)OCO2
0,0,0,0,0,0,0,0,0,0,0,0,TOX27160,C=CC(C)(CCC=C(C)C)OC(=O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27167,CNC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27166,COc1ccc(CCC(C)=O)cc1
0,0,0,,0,0,1,0,0,0,0,0,TOX27164,CCCC1CCCC(=O)O1
,,,,,,,0,,0,,,TOX31511,CCOc1ccccc1OCC1CNCCO1
,,,,,,,0,,0,,,TOX31510,COc1ccc2cc(C=O)ccc2c1
,,,,,,,0,,0,,,TOX31513,CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC
,,,,,,,0,,0,,,TOX31512,O=C(NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1
,,,,,,,0,,0,,,TOX31514,O=C(O)C1CCC1
,,,,,,,0,,0,,,TOX31517,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
,,,,,,,0,,0,,,TOX31516,CC(Cc1ccccc1)N(C)Cc1ccco1
,,,,,,,0,,0,,,TOX31519,CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(OC)CC[C@@H]12
1,1,0,,1,0,0,0,0,0,0,0,TOX20742,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
0,0,0,,,0,0,,0,,,0,TOX20740,Cn1sccc1=O
0,0,,0,0,0,0,0,0,0,,0,TOX21886,CNC(=O)Oc1ccccc1C1OCCO1
1,1,0,0,1,1,0,,0,0,0,0,TOX20747,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,,0,,0,0,1,,0,0,0,,TOX20745,CCCc1c(OCCCOc2ccc(OCC(=O)O)cc2)ccc(C(C)=O)c1O
0,0,,,,0,,,,,1,,TOX24841,C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C(=C)C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24840,C=C(C)CS(=O)(=O)[O-]
0,0,,0,0,0,0,0,0,0,0,0,TOX28564,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX24842,C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1
0,0,0,,,0,0,0,0,0,,0,TOX24845,CCCCOC(=O)CCS
0,0,0,0,,0,0,,0,0,,0,TOX24844,CCCCCCCCOCCCN
0,0,0,0,0,0,0,0,0,0,,0,TOX24847,CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24849,Nc1nc(=S)[nH][nH]1
0,0,,,,0,0,0,0,1,1,0,TOX24668,CC1=Nc2ccc3ccccc3c2C1(C)C
,,,,,,,1,,0,,,TOX31638,CC(C)(C)C1CCC(CC2=C(O)C(=O)c3ccccc3C2=O)CC1
,,,,,,,0,,0,,,TOX31634,Cc1coc2ccccc2c1=O
,,,,,,,,,0,,,TOX31637,Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2
,,,,,,,0,,0,,,TOX31630,O=C(O)c1ccc(OCCN2CCCCC2)cc1
,,,,,,,0,,0,,,TOX31631,COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F
,,,,,,,0,,0,,,TOX31632,O=C1CC(c2ccc(Cl)cc2)CC(=O)N1
,,,,,,,,,0,,,TOX31633,COc1ccc2c(c1)c(CC(=O)OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)n2C(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5794,O=[N+]([O-])c1cccc(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5796,CCCCCCCCC
0,0,0,1,0,0,0,0,0,0,0,0,TOX5791,Cc1ccccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX5793,O=[N+]([O-])c1ccccc1C(F)(F)F
0,0,0,0,1,0,0,0,0,0,0,0,TOX1479,CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2
0,0,0,0,0,0,0,0,0,0,0,0,TOX9260,O=C1NCCN1CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX9263,CNCCS(=O)(=O)[O-]
0,0,0,,0,0,0,,0,0,,0,TOX9262,CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
0,0,1,,0,0,0,,0,0,0,0,TOX9265,COc1cc(NC(=O)CC(C)=O)c(OC)cc1Cl
0,0,0,0,0,0,0,0,0,0,1,0,TOX9267,CCO[Si](CCCCl)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,,0,TOX14392,O=C(Nc1ccccc1-c1ccc(Cl)cc1)c1cccnc1Cl
0,0,0,0,1,,0,0,0,0,0,0,TOX2070,CCCCCCCCCCCC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3081,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,1,0,0,TOX25136,Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX25132,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
0,0,0,0,0,0,0,,0,0,,0,TOX25133,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25131,c1ccc(C2CC2)c(OCC2=NCCN2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25138,Clc1cccc(N2CCNCC2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25139,NC(Cc1ccc(Cl)cc1)C(=O)O
0,0,1,,1,,,1,1,0,,,TOX69,Cc1cc(N=Nc2ccccc2C)ccc1N
0,0,1,,0,0,0,1,0,0,1,0,TOX62,Nc1cc([N+](=O)[O-])ccc1O
0,0,1,0,0,0,,1,0,0,1,0,TOX63,Nc1ccc([N+](=O)[O-])cc1O
0,0,1,0,1,0,0,0,0,0,1,0,TOX66,Nc1ncc([N+](=O)[O-])s1
0,0,,,1,0,0,,0,0,1,0,TOX65,Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28748,O=C(NN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX28749,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28743,O=[N+]([O-])c1nccn1CO[C@@H](CO)[C@H](O)CO
1,1,0,0,1,0,0,,0,0,0,0,TOX28740,CC[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28747,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1
0,0,0,0,0,0,0,1,0,0,0,0,TOX28744,Cc1cccc(N(C)C(=S)Oc2ccc3c(c2)CCC3)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28745,CC(=O)OCC(=O)Nc1cc(C#N)cc(NC(=O)COC(C)=O)c1Cl
0,0,1,,,,,1,0,,1,0,TOX862,Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3
0,,1,,0,1,0,1,0,,,0,TOX861,Cc1ccc(O)c(O)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX867,Cc1cc(Cc2ccc(N)c(C)c2)ccc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX7148,FC(F)(F)C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7149,N#CCC(=O)O
0,0,0,0,0,0,0,0,0,,0,0,TOX7146,CCSCC
0,0,1,0,0,0,0,0,0,0,0,0,TOX869,CN(C)c1ccc(Cc2ccc(N(C)C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX868,ClCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7142,FC(F)(F)c1ccc(Cl)c(Cl)c1
0,0,1,1,0,0,0,,0,0,1,0,TOX7143,O=C=Nc1cccc(C(F)(F)F)c1
1,1,0,,,0,0,,0,,0,0,TOX3303,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
0,0,0,0,0,0,0,0,0,0,0,0,TOX1816,C=CCOC(=O)C(=C)C
,,0,0,0,0,0,0,0,0,0,0,TOX1817,OCC(Br)CBr
0,0,1,0,0,0,0,0,0,0,0,0,TOX1815,Nc1ccc(Cl)c(Cl)c1
0,0,0,0,0,0,0,,0,,0,0,TOX15106,NCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1810,Nc1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1818,CCC(C)C=O
,,,,,,,1,,0,,,TOX31456,O=C1Cc2cc(Cl)ccc2N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4821,FC(F)(F)c1ccc(Cl)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX4822,C[Si](C)(C)Cl
0,0,0,0,,0,0,,0,0,1,0,TOX4824,CCC(Cl)C(Cl)C(Cl)CC(Cl)C(Cl)C(C)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX13863,C=Cc1ccc(C=C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX15138,Nc1ccc([As](=O)(O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX315,O=[N+]([O-])C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,1,0,TOX314,Clc1ccc(Sc2cc(Cl)c(Cl)cc2Cl)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX15423,Cc1ccc(C)c2ccccc12
0,,0,1,,0,,1,0,,1,,TOX312,Cc1nnc2n1-c1sc(CCc3ccc(CC(C)C)cc3)cc1C(c1ccccc1Cl)=NC2C
0,0,0,,,,0,0,0,0,0,0,TOX7556,CCC(=O)[O-].CCC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7551,COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1
0,0,0,1,1,1,0,0,0,0,,0,TOX21242,CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21246,OCCCO
0,0,1,,1,0,0,1,1,0,1,0,TOX21247,O=C(CC(=O)c1ccccc1)c1ccccc1
0,0,0,0,1,1,0,0,0,0,0,0,TOX26024,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
0,0,0,0,0,0,0,,0,0,0,0,TOX26020,Cc1ncc(CO)c(C=O)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26023,NS(=O)(=O)Cc1noc2ccccc12
0,0,0,,,0,0,1,0,1,1,,TOX26029,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27376,O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(F)ccc1N1CCC(C(=O)O)CC1
0,0,1,,,0,,,0,0,1,,TOX27374,COc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1
0,0,0,,0,0,0,,0,,1,,TOX27372,CC[C@H](NC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc12)c1ccccc1
0,,0,,,0,0,1,0,,0,,TOX27371,NCc1cccc(C2CCN(C(=O)c3ccc(C#Cc4ccccc4F)o3)CC2)c1
0,,,,,,,,0,1,1,,TOX27379,CCN(Cc1cccnc1)C(=O)c1cccc(Cl)c1[C@]1(C)C(=O)N(Cc2ccc(OC)cc2OC)c2ccc(Cl)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX8300,CC(C)(C)C(=O)CCc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21793,Cc1nc(C)c(Cl)c(O)c1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX21790,CC(C)=CCCC(C)CC=O
0,0,0,0,0,0,1,,0,0,1,0,TOX21799,O=c1oc2ccccc2c(O)c1C1CCCc2ccccc21
1,1,,0,,,0,,0,0,0,0,TOX6796,COCC(C)OC(C)=O
1,0,0,0,0,0,0,0,0,0,0,0,TOX6797,Cc1cc(C)cc(C)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX1363,Cc1cccc(N)c1
0,0,0,,,0,,,,0,1,,TOX796,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1
0,0,0,0,,0,0,0,0,0,0,0,TOX6799,Clc1nc(Cl)nc(Cl)n1
1,1,0,0,1,1,0,,0,,1,,TOX2898,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC
,,0,,,0,,,,0,1,,TOX2897,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
1,1,0,0,1,0,0,0,0,0,0,0,TOX2894,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,0,0,0,,0,0,,0,TOX2892,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
0,,,,,,,,,,,,TOX26683,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
,,,,,,,,,0,,,TOX26685,O=C(O)CCn1c2c(c3ccccc31)C[C@H](NS(=O)(=O)c1ccc(F)cc1)CC2
0,0,1,0,0,,0,1,0,0,0,0,TOX26687,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2n1
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0,,0,0,0,0,0,,0,,0,,TOX26012,O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21
0,0,0,0,1,0,0,0,0,0,0,0,TOX21298,CCC1CCC(=O)O1
0,0,0,,1,0,0,,0,1,,0,TOX27410,C=CC(C)(CCC=C(C)C)OC(=O)C=Cc1ccccc1
0,,0,,,,,,,,1,,TOX20352,C/C=C/C(=O)Oc1c(CCCCCC(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]
0,,0,0,0,0,0,0,0,0,,0,TOX24862,O=C(O)CCCCCCCCCC(=O)O
0,0,0,,0,0,0,0,0,0,0,0,TOX20687,CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20686,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20685,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]
1,,0,,0,0,0,1,0,0,,0,TOX20683,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26977,COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26974,OCCSc1ccccc1
0,0,0,,1,1,0,1,0,0,,0,TOX26979,O=C1Cc2ccccc2N1c1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22266,CCCCCSCCCCC
0,,,,,1,1,,1,,,,TOX22264,C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
0,0,0,0,0,0,0,,0,0,,0,TOX22263,CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX27089,CC(S)C(C)S
0,0,1,0,0,0,,,,0,1,,TOX22261,O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1
0,0,,1,,0,,1,,0,,,TOX22260,CCCC(Cn1cncn1)c1ccc(Cl)cc1Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX27084,CC(=O)c1ccc[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27085,CC(=O)c1cnccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27086,CCCCCC/C=C/C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27087,COC(=O)c1ccccc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27080,CCc1ccc(C=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27081,CC(C)(C)C1CCCCC1=O
0,0,0,0,,0,0,0,0,0,0,0,TOX22269,CCOP(=S)(OCC)SCSc1cc(Cl)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX27083,CCCC(=O)OC
,,,,,,,1,,0,,,TOX28975,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
0,,,,,0,,0,,0,,,TOX26726,CCN(CC)CCCN(c1ccccc1)C1Cc2ccccc2C1
0,,,,,,,,,,1,1,TOX28977,CO.COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
0,0,,,0,0,,,0,0,1,0,TOX28976,COC(=O)C1=C(C)NC(C)=C(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28970,CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
0,0,0,,,0,0,0,0,,,,TOX28973,C[C@@H](O[C@H]1OCCN(CC2=NC(=O)N=N2)[C@H]1C1CCC(F)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
0,0,,0,,0,,,0,,0,,TOX28979,CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX28978,NC(=O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1268,CCNc1nc(Cl)nc(NCC)n1
0,,1,,,0,,,,,,,TOX26237,CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1
0,0,0,0,,0,,,0,,1,,TOX1260,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@@H](O)C(C)(C)O
1,1,0,,,,,0,0,0,0,0,TOX1267,Oc1ccc2c(c1)OCO2
0,0,0,0,0,0,0,0,0,0,0,0,TOX2798,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1
0,0,,,0,0,,,1,1,,0,TOX535,S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1
0,0,0,0,0,0,0,,0,0,0,0,TOX7310,ClC/C=C\CCl
0,0,0,0,0,0,0,,0,,0,0,TOX26232,CCc1ncnc2cc(OC)c(OC)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX7314,CC(C)(C)C(=O)C(=O)O
0,0,1,0,0,0,0,0,0,0,1,0,TOX7319,Cc1c(N)cccc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX1040,O=NN1CCCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4568,O=S(=O)(O)c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX25839,CC[C@@H](C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H](C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)C([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O
,,,,,,,,,0,,,TOX25838,NCCc1cc(O)c(O)cc1O
0,0,0,0,,0,0,1,0,0,0,0,TOX25836,NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
0,0,0,0,1,0,0,1,0,0,0,0,TOX25835,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12
0,0,0,,0,0,0,1,0,,1,,TOX679,ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl
0,0,0,1,0,0,1,,1,0,0,1,TOX674,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
0,0,0,,,0,0,0,0,0,,0,TOX673,CCN(Cc1cccc(S(=O)(=O)[O-])c1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)[O-])c3)C=C2)c2ccc(O)cc2S(=O)(=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX28353,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
0,0,0,,0,0,0,1,0,0,0,0,TOX17708,O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,,0,TOX17709,O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX24307,CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1O
0,0,0,1,1,0,0,,0,0,,0,TOX24303,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX13493,CCOC(=O)C(C)C(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX413,ClCC(Br)CBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX410,c1ccc2c(c1)Oc1ccccc1O2
0,0,0,0,0,0,0,0,0,0,0,0,TOX415,BrCCBr
0,0,0,0,1,0,0,0,0,0,0,0,TOX5215,CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5216,C=Cc1ccccc1C=C
0,0,0,0,0,0,,1,0,0,0,0,TOX5217,CCCCCCCCC/C=C/CC1CC(=O)OC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2246,NCCCN1CCN(CCCN)CC1
0,0,0,,0,0,0,0,0,0,1,0,TOX2247,C=CC(C)(O)CCC=C(C)CCC=C(C)C
0,0,0,,0,0,0,0,0,1,0,0,TOX5218,CCCCCCCCCCCCOCCO
0,0,0,0,0,0,0,1,0,0,0,0,TOX5219,CCCCCCCCCC(CC)c1ccc(S(=O)(=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX5818,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5819,c1ccc(COCc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3114,COc1ccccc1OCC(O)CO
0,0,1,,0,0,0,1,0,0,1,,TOX5812,CCCCCc1cc(O)cc(O)c1
0,0,0,0,,,0,0,0,0,0,0,TOX5811,CCCCCCCC/C=C\CCCCCCCC(=O)OC
0,0,0,0,,0,0,0,0,0,0,0,TOX5816,O=C(O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5814,O=C(O)c1cc(O)nc(O)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6549,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,,0,0,0,0,TOX6548,CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1
0,,,,,0,,,,,1,1,TOX22462,IC(I)=C(I)I
0,0,,0,1,0,0,,0,,0,0,TOX22465,O=P([O-])([O-])OP(=O)([O-])[O-]
0,0,,0,0,0,0,0,0,0,,0,TOX25304,CC(C)NC[C@@H](O)COc1cccc2ccccc12
1,1,,,0,0,0,0,0,0,0,0,TOX25306,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6544,O=c1nn[nH]c2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX14618,CCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl
0,0,0,1,0,0,0,0,0,0,0,0,TOX14612,CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX14614,COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX11131,CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX11133,CCCOC(=O)c1ccccc1C(=O)OCCC
0,0,0,0,0,0,0,1,0,0,,0,TOX14948,CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1
0,0,1,0,0,,0,0,0,0,0,0,TOX12722,c1nc[n-]n1
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0,0,0,0,,0,0,0,0,0,0,0,TOX6899,N#CCCSCCC#N
0,0,0,0,0,0,0,0,0,0,,0,TOX3740,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32
0,0,0,0,,0,0,,0,,0,0,TOX26763,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
0,0,0,0,0,0,0,,0,,0,0,TOX26760,CCOc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
0,0,0,0,0,0,0,,0,,0,0,TOX28835,CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
0,0,0,0,0,0,0,,0,,0,0,TOX26766,CCC(=O)O[C@]1(c2ccccc2)CCN(C)C[C@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26767,CC(C)Cn1cnc2c1c(=O)n(C)c(=O)n2C
0,,0,0,0,,1,1,0,1,,1,TOX29268,Brc1c2ccccc2c(Br)c2ccccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX29266,CCn1cc[n+](C)c1.COS(=O)(=O)[O-]
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0,0,0,0,0,0,0,0,0,0,0,0,TOX29264,C/C=C(\C)C=O
0,0,0,0,0,0,0,0,0,0,,0,TOX29263,O=C1c2ccccc2-c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX22072,CNC(=O)Oc1ccccc1C(C)C
0,0,1,,,0,0,0,0,0,0,0,TOX22077,CC(C)c1ccc(NC(=O)N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX22074,Cc1ccc(C(C)C)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4368,CCOCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX4362,CC(Cl)C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4366,CCN(CC)CC
0,0,0,0,0,0,0,,0,0,,0,TOX7948,CCCCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
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0,0,,,,,0,1,0,0,,0,TOX17498,CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX17494,CC(C)Nc1nc(N)nc(Cl)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17495,CCNc1nc(N)nc(Cl)n1
0,0,,0,0,0,0,0,0,0,,0,TOX17493,CCNc1nc(NC(C)C)nc(OC)n1
0,0,0,,0,0,0,0,0,0,1,0,TOX27141,O=C1CCCCCCCCCCCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27412,CCC(=O)C=Cc1ccc(OC)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX4798,CC(C)(Cl)[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4799,O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl
0,0,0,0,0,0,0,,0,0,,0,TOX27417,CC1=C(O)C(=O)CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27416,C=CC(=C)CCCC(C)(C)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27415,C=CC(C)(O)CC/C=C(\C)CC
0,0,0,,1,1,0,,0,,1,1,TOX27146,CCC(=O)Oc1ccc(/C(CC)=C(\CC)c2ccc(OC(=O)CC)cc2)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX27149,CC(C)C1CCC(O)CC1
0,0,,0,0,0,0,0,0,0,,0,TOX4793,COc1cc(Cl)c(OC)cc1Cl
0,0,0,0,1,0,0,0,0,0,1,0,TOX27419,CC(C)CC=C(C=O)c1ccccc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX4791,Clc1cccc2ccccc12
0,0,,0,0,0,0,0,0,0,0,0,TOX4797,CCC(Cl)[N+](=O)[O-]
,,,,,,,0,,0,,,TOX31577,Sc1ccccc1Cl
,,,,,,,0,,0,,,TOX31576,CCS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1
,,,,,,,0,,0,,,TOX31574,CCOC(=O)CN1CCCC1=O
,,,,,,,0,,0,,,TOX31573,C/C(=C1\CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N
,,,,,,,0,,0,,,TOX31571,Cc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1
,,,,,,,0,,0,,,TOX31570,C=C(C)C(=O)OCC(O)CO
,,,,,,,0,,0,,,TOX31578,CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24827,CC(=O)OCC(C)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24826,CC(C)CCCC(C)CC=O
0,0,0,0,0,0,0,0,0,0,1,0,TOX24825,CC(C)(C)c1cccc(O)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX24824,CC1=CCC(O)(C(C)C)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24823,C=C(C)C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24822,CC(CCO)CCc1ccccc1
0,0,0,0,1,1,0,0,0,0,,0,TOX24821,CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1
0,0,,,0,,0,0,0,0,,0,TOX24829,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24828,C=CCCCCCCCCC(=O)OCC
,,,,,,,0,,0,,,TOX31613,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
,,,,,,,0,,0,,,TOX31610,CCO[C@H]1O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
,,,,,,,1,,0,,,TOX31617,CC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
,,,,,,,0,,0,,,TOX31614,CCCC(=O)O[C@]1(C(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
,,,,,,,0,,0,,,TOX31615,COc1ccc(/C(C)=C/C(=O)O)c(OC)c1
,,,,,,,0,,0,,,TOX31618,CCOC(=O)C(O)c1ccccc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX5776,O=C1NC(=O)c2cc([N+](=O)[O-])ccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX5775,O=C1OC(=O)c2cc([N+](=O)[O-])ccc21
0,0,0,0,0,0,0,0,0,0,,0,TOX5774,O=c1[nH][nH]c(=O)c2cc([N+](=O)[O-])ccc12
0,0,,0,,0,0,0,0,0,,0,TOX5770,Nc1ccc([N+](=O)[O-])c(N)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX1456,O=S(=O)([O-])c1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)[O-])ccc23)cc1
0,0,0,0,1,0,0,,0,,0,0,TOX1457,CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1455,O=C([O-])c1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)[O-])cc1
0,0,0,0,0,0,0,1,1,0,,,TOX9203,CCN(CC)CCCl
0,0,,,0,0,0,0,0,,0,0,TOX9202,COC(=O)c1ccc2cc(C(=O)OC)ccc2c1
0,0,0,0,0,0,0,0,0,0,,0,TOX14376,CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O=C([O-])c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25201,NC1CCN(c2cccc(Cl)n2)CC1
0,0,,0,0,0,,,,,0,1,TOX28504,C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
0,,,1,,1,1,,1,,0,1,TOX28505,C/C=C1\NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21813,CC1CCC(CO)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28500,CCS(=O)(=O)C(C)(C)S(=O)(=O)CC
0,0,0,0,0,0,0,,0,,0,0,TOX28501,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25158,Nc1c2c(nc3ccccc13)CCCC2O
0,0,,,,0,0,,0,,1,0,TOX25150,O=c1c2ccccc2[se]n1-c1ccccc1
0,0,,,0,0,0,0,0,0,0,0,TOX25153,Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2Cc1ccco1
0,0,0,0,0,0,0,0,0,0,1,,TOX40,ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](C4C=C[C@H]3C4)C1(Cl)C2(Cl)Cl
1,0,0,0,0,0,0,0,0,0,0,0,TOX43,NC(=O)NC1NC(=O)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX44,C=CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX46,C=CCOCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX47,C=CCN=C=S
0,0,0,0,0,0,0,0,0,0,0,0,TOX48,C=CCOC(=O)CC(C)C
0,0,1,,0,0,1,,0,1,1,0,TOX6035,[S-]c1nc2ccccc2s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5276,CCCCNCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3324,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
0,0,0,0,0,0,0,,0,,0,0,TOX3325,CN1CCN2c3ncccc3Cc3ccccc3C2C1
1,0,0,,,0,,1,,0,1,1,TOX3322,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX888,Cc1cccc2cccnc12
0,0,0,0,,0,0,0,0,0,0,0,TOX7120,O=S([O-])CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX887,Cc1ccc2ncccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX886,COC(=O)C(c1ccccc1)C1CCCCN1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3329,NC(=O)CS(=O)C(c1ccccc1)c1ccccc1
,,0,0,,0,0,1,0,0,0,0,TOX5278,CCSC(=O)Cl
0,0,0,0,0,0,0,0,0,0,1,0,TOX1871,Oc1ccc(Cl)cc1
0,0,1,0,1,0,0,0,0,0,0,0,TOX1365,Cc1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1873,C=CC(=O)OCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX1874,CCCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX1877,OCCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1879,CCC#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX1744,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O
0,0,0,,0,0,0,,0,0,0,0,TOX15156,CCC(=O)OCCc1ccccc1
0,,0,1,,0,,,0,,,,TOX337,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX336,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX332,O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,1,0,0,0,0,0,TOX331,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
0,0,1,,,0,0,,0,,,0,TOX330,Nc1ccccc1C(=O)OCC=Cc1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX21266,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX21265,CCCCCCCCC(CO)CCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX21263,Cc1c(Cl)cccc1[N+](=O)[O-]
0,0,,0,0,0,0,,0,0,0,0,TOX21261,C=CCOCC(O)CCl
0,,0,,,0,,,0,,,1,TOX21268,CCOC(=O)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)cc2Cl)n1
0,0,1,0,1,0,0,1,0,0,1,0,TOX963,Nc1cc([N+](=O)[O-])ccc1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX612,CCC(C(=O)NC(N)=O)c1ccccc1
0,,,,,0,0,1,,,1,1,TOX26576,CCN1C(=CC=Cc2ccc3ccccc3[n+]2CC)C=Cc2ccccc21
0,,,,,1,1,1,1,1,1,1,TOX26903,N=C(N)NN=C(C=Cc1ccc([N+](=O)[O-])o1)C=Cc1ccc([N+](=O)[O-])o1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27537,CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
,,,,,,,0,,0,,,TOX26831,O=C([O-])CC(O)C(=O)[O-]
0,0,0,0,1,0,0,0,0,1,0,0,TOX27539,O=C(OCCCCCCOC(=O)c1ccccc1)c1ccccc1
0,0,,,,0,0,,1,0,,0,TOX27318,NC(=O)N(O)[C@@H]1COc2cc(OCc3ccccc3)ccc21
0,0,0,,,1,1,,,,1,,TOX27315,CCc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2CN2CCN(c3ccc(OC)cc3)CC2)ccc1OCC(=O)O
0,,0,,,0,1,,,,,,TOX27310,Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
0,0,0,,,0,,1,0,0,,0,TOX27311,CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3C4CCC3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F
1,1,0,,0,0,1,0,0,0,,0,TOX27312,N#Cc1ccc(N(CC(N)=O)CC(F)(F)F)cc1C(F)(F)F
0,0,0,,0,0,0,0,0,0,0,0,TOX26409,O=C(NCCCN1CCOCC1)c1ccc(Cl)cc1
0,0,0,0,1,1,0,,0,,0,0,TOX28543,CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
1,1,0,,1,1,0,,0,,0,0,TOX2329,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O
,,,,,,,1,,0,,,TOX26402,O=[N+]([O-])c1ccc(C=NO)o1
0,0,0,,,0,,1,0,1,0,1,TOX26401,Cc1ccc(O)c2ncccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX26951,CNCCCC1c2ccccc2C=Cc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX26406,O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26405,COc1ccccc1OC(=O)Oc1ccccc1OC
,,,,,,,0,,0,,,TOX26404,O=C(/C=C/c1ccccc1)NCCO
0,0,0,0,0,0,0,,0,0,0,0,TOX28546,CC(=O)CCC=C(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX22247,CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1
0,0,0,0,0,0,0,,0,,0,0,TOX28547,O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O
0,0,0,0,0,,1,,0,,0,,TOX22243,CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(=O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX22242,CCc1ccccc1N
0,0,0,0,0,0,0,,0,,0,0,TOX28897,CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1
0,0,1,,1,,0,1,0,1,0,0,TOX24645,NNc1nncc2ccccc12
0,0,1,0,0,,,1,0,0,1,0,TOX24642,CC(=O)OCCN(CCOC(C)=O)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)cc1
0,,0,,0,0,,0,,,,,TOX24865,CCCCCCCCCCCCCCN(CCO)CCO
0,0,,0,,0,0,,0,,,0,TOX26175,CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
0,0,1,0,1,1,0,1,0,0,1,0,TOX1201,CCCOC(=O)c1cc(O)c(O)c(O)c1
,,,,,,,0,,0,,,TOX26174,Oc1ccccc1C=NCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1206,CC(O)CO
0,0,,,1,0,0,0,0,0,1,0,TOX10056,Brc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9072,CCc1cnc(C(=O)O)c(C(=O)O)c1
,0,0,,,0,0,,0,0,0,0,TOX7338,C/C(Cl)=C/CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7334,CCO[Si](CCC#N)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7333,CCO[Si](CCCN)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4589,FC(F)(F)c1ccccc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX4586,c1ccc2scnc2c1
0,0,1,0,0,,0,,0,0,,1,TOX4585,c1ccc2c(c1)ccc1ncccc12
0,0,,0,0,0,0,,0,,0,0,TOX25814,CI.CN1[C@H]2CC[C@@H]1CC(OC(=O)c1c[nH]c3ccccc13)C2
,,,,,,,0,,0,,,TOX25811,c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25813,Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1
0,0,0,0,0,0,0,1,0,0,0,0,TOX650,O=C(O)c1cc(O)c(O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX652,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
0,1,1,1,,1,1,1,0,1,1,,TOX653,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX656,C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
0,0,0,0,0,0,0,1,0,0,0,0,TOX24364,BrCCCCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX27948,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24494,O=C(Cc1ccccc1)OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24495,CC(=O)CCc1ccc(O)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX24360,CC(C)CCCC(C)CCO
0,0,1,0,0,0,0,0,0,0,,0,TOX24361,NNC(=O)CCCCC(=O)NN
0,0,0,0,0,0,0,,0,0,0,0,TOX24362,O=C1CCCC(=O)O1
0,0,0,0,0,0,0,0,0,0,,0,TOX27943,CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX27945,O=C(O)c1ccccc1O.OCCN(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27946,COP(=O)([O-])OC.Cn1cc[n+](C)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX9698,O=S(=O)([O-])OOS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX9692,O=[N+]([O-])[O-].[K+]
0,0,0,0,,,0,0,0,0,0,0,TOX5185,CCCNCCC
0,0,0,0,0,0,0,1,0,0,0,1,TOX19657,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
0,,,,,,,,,,1,,TOX28947,OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
0,0,0,,0,0,,,0,0,,0,TOX26310,OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
,,,,,,,0,,0,,,TOX31393,CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)N(C)C
,,,,,,,,,0,,,TOX31392,O=C(C1CCCCC1)N1CC(=O)N2CCCc3ccccc3C2C1
,,,,,,,,,0,,,TOX31391,CN1Cc2cc(C(=O)N3CCC(C4CCNCC4)CC3)ccc2N[C@@H](CC(=O)O)C1=O
,,,,,,,0,,0,,,TOX31390,COCCOc1cccc(S(=O)(=O)[N-]c2ncccn2)c1
,,,,,,,0,,0,,,TOX31397,Oc1ccccc1-c1nnco1
,,,,,,,0,,0,,,TOX31396,C1CN2CCC1CC2
,,,,,,,0,,0,,,TOX31395,CCN(CC)CCN
,,,,,,,0,,0,,,TOX31398,CCCCCCn1c(=O)c2c(ncn2C)n(C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6422,CS(=O)(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX2519,Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1
0,0,0,0,0,0,0,0,0,0,,0,TOX5237,BrCC1CO1
0,0,,0,,,0,1,0,0,0,0,TOX14580,CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C
0,0,1,,,0,,1,0,,,0,TOX14586,CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1
0,0,0,0,0,0,0,0,0,0,1,0,TOX2510,Cc1cc(Cl)ccc1O
0,,1,,1,1,0,1,0,0,1,1,TOX5231,Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O
0,0,,0,0,0,0,0,0,0,0,0,TOX3179,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX15013,Cl[Zn]Cl
0,0,,,1,0,0,,0,,0,0,TOX3171,Cc1cc(C(=O)NNCc2ccccc2)no1
0,0,0,0,0,0,0,,0,,0,0,TOX3176,O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX6523,O=c1n(Cl)c(=O)n(Cl)c(=O)n1Cl
0,0,0,,,0,,,0,0,1,1,TOX6520,Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6527,Cc1cc(S(=O)(=O)O)c(N)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX6526,Cc1ccc(N)c(S(=O)(=O)O)c1
0,0,0,0,0,0,0,0,0,0,1,0,TOX6525,CC(C)(C)c1ccccc1O
0,0,0,,0,0,0,0,0,0,1,0,TOX6529,Cc1ccc(C(C)(C)C)c(O)c1
0,0,,0,0,,0,0,0,0,0,0,TOX6528,Cc1cc(N)c(S(=O)(=O)O)cc1Cl
1,1,0,,1,1,0,,0,,,0,TOX25367,C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5S[C@@H]5C[C@@]43C)[C@@H]1CC[C@@H]2O
1,1,0,,0,0,0,0,,0,0,0,TOX25365,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
0,0,1,0,0,0,0,,0,0,0,0,TOX25364,O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX25361,O=C(CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX22400,CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
0,0,0,0,,0,0,0,0,0,0,0,TOX25368,CCCCOc1ccc(CC(=O)NO)cc1
,,0,,0,0,0,1,0,0,0,0,TOX434,ClC/C=C/CCl
0,,1,,,0,0,1,0,0,,0,TOX21688,CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
0,0,0,0,,0,0,,0,0,0,0,TOX437,CC(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX430,Clc1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX431,Clc1ccc(Cl)cc1
1,0,1,1,1,1,0,1,1,,,1,TOX433,Nc1ccc(-c2ccc(N)c(Cl)c2)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX438,ClCCCl
0,0,0,0,0,0,0,0,0,0,1,0,TOX439,Oc1ccc(Cl)cc1Cl
0,0,0,0,1,0,0,0,0,0,0,0,TOX1998,CCCCOC(=O)CCC(=O)OCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX1993,c1ccc2c(c1)oc1ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX1997,NCCN1CCNCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1996,CCC(=O)[O-]
0,0,0,0,1,1,0,0,0,0,0,0,TOX1995,CCN(CC)C(=O)c1cccc(C)c1
0,0,,,1,1,0,0,1,0,,,TOX1994,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX4345,COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4344,CC(C)N(C(=O)SCC(Cl)=C(Cl)Cl)C(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX4346,Brc1ccc(Br)c(Br)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7920,CCCCN(CCCC)CCCCCCN(CCCC)CCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX7921,CC(COCC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1
0,0,0,0,0,0,,1,0,,,,TOX7923,CCCCCCCCCC(CC)c1ccc(S(=O)(=O)O)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX7924,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
0,,0,,1,1,,0,0,,1,,TOX7925,CC(C)(C)CC(C)(C)c1ccccc1O
0,0,0,,1,1,1,,,,1,,TOX7926,CCCCCCCCCCCCc1ccccc1O
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0,0,,0,0,0,0,0,0,0,0,0,TOX7928,CCCCC(CC)CO[N+](=O)[O-]
0,0,0,,0,0,0,0,0,0,0,0,TOX14961,N#C/N=C1\SCCN1Cc1ccc(Cl)nc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX10604,CC1=CC(=O)CC(C)(C)C1(O)/C=C/C(C)=C\C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX10606,CC1=CC(=O)[N-]S(=O)(=O)O1
0,0,0,1,,0,0,,0,0,,0,TOX4002,CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
0,0,1,0,0,0,0,0,0,0,0,0,TOX4000,COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4001,CC(Cl)(Cl)C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX15214,C=CC(O)CCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7346,C[Sn](Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21451,C=CCS(=O)(=O)[O-]
0,0,0,,,0,0,0,0,0,1,0,TOX21452,CCCC(C)c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27439,CC(C)CCOCc1ccccc1
0,,0,,,0,,1,,0,1,1,TOX2053,Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
0,0,0,0,0,0,0,,0,,0,1,TOX16760,O=C1O[Pt]2(N[C@@H]3CCCC[C@H]3N2)OC1=O
1,1,0,,0,0,0,0,0,0,,0,TOX27435,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
1,0,0,,0,,0,0,0,0,0,0,TOX27434,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27437,CCCCCCC1CCOC1=O
0,0,0,,1,0,0,0,0,0,0,0,TOX27436,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
0,0,0,0,,0,0,0,0,0,0,0,TOX27127,CCC(C)(C)C1CCC(=O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX8842,O=P([O-])(O)OP(=O)([O-])O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27125,C=CCCCCCCCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX2050,Cc1ccccc1C#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX27123,CCCCCCCCCOC(C)=O
,,,,,,,0,,0,,,TOX31558,Cc1c(N)cccc1C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX27121,O=Cc1cc2ccccc2o1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27120,CC(=O)c1c(C)cc(C(C)(C)C)cc1C
,,,,,,,0,,0,,,TOX31557,CCCS(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1
,,,,,,,0,,0,,,TOX31551,CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
,,,,,,,1,,0,,,TOX31550,ClCCCN1CCN(c2cccc(Cl)c2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27129,COC(=O)C=C(C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27128,CC(=O)OCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX8114,CCN(CC#N)c1cccc(C)c1
0,0,,,0,1,,1,0,1,,1,TOX5436,Oc1cccc2cccnc12.Oc1cccc2cccnc12
0,0,1,0,0,0,0,0,0,0,,0,TOX5437,N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2055,CC(=O)OC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5438,NC(=O)NO
0,0,0,0,0,0,0,0,0,,0,0,TOX9195,CC1CCCNC1
0,0,0,0,0,0,0,0,0,0,,0,TOX9194,CCc1ccc(C)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX5759,O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
,,0,0,,0,0,0,0,0,0,0,TOX5758,CCCCCC[N+](=O)[O-]
0,0,0,0,0,0,0,,0,0,0,0,TOX5751,O=[N+]([O-])CCO
0,0,,,,0,,1,1,0,,1,TOX5757,CN(CCCl)CCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1438,C=C(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX9220,Cc1ccc(N)nc1
0,0,0,,0,0,0,0,0,0,0,0,TOX9223,Cc1ccc(C(C)c2ccc(C)c(C)c2)cc1C
0,0,0,0,0,0,0,0,0,0,,0,TOX1431,C=COC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1436,C=Cc1cccc(C)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX1437,C=CC1CC=CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20476,CC(C)(C)c1ccc(CCOc2ncnc3ccccc23)cc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX14357,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
0,0,1,,0,0,0,0,0,0,0,0,TOX14355,O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1
0,0,0,,,0,,,0,0,,0,TOX28522,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1
0,0,0,,,0,,,0,1,,,TOX28831,CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
0,0,0,0,0,0,0,,0,,0,0,TOX26327,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)NCC[C@]314
0,0,0,0,0,0,0,0,0,0,0,0,TOX1402,Cc1ccc(C)c(C)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX28836,C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C.C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C
0,0,0,0,,0,,,0,,0,0,TOX28837,C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C
0,0,0,0,0,0,0,0,0,0,0,0,TOX21877,CC(=O)OC(C)(C)Cc1ccccc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX24804,CC(=O)NCCO
1,1,0,,,0,0,0,0,0,0,0,TOX28529,CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,,0,0,0,0,0,0,0,1,0,TOX21873,CCNc1nc(NC(C)C(C)C)nc(SC)n1
0,0,1,,0,0,0,,0,0,1,0,TOX4163,CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1
0,0,0,0,0,0,0,0,0,,,0,TOX24802,CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC
0,,,,0,,0,,1,,0,1,TOX25173,O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25171,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25174,CC12CC3CC(C)(C1)CC(N)(C3)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25175,CNCCC(Oc1ccccc1OC)c1ccccc1
0,0,0,,0,0,,,0,,1,0,TOX25178,C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25179,Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1
,,,,,,,0,,0,,,TOX28787,O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX28785,CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3393,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28780,CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28781,O=C1CC[C@H](C(=O)N2CCCCC2)N1
1,1,,0,1,1,0,,0,0,0,0,TOX28789,C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C
0,0,0,0,0,0,0,0,0,0,,0,TOX2164,C=CCc1ccccc1O
1,,1,0,,0,,,,0,,1,TOX2162,N#Cc1cc(Br)c(O)c(Br)c1
0,0,1,,1,1,,1,1,0,1,,TOX2160,Oc1ccc(/N=N/c2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7103,C=C(C)C(=O)OCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7104,CCCCCCCCCCCCCCCC(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7109,NCCCCCCNCCCCCCN
0,,,,1,,,1,0,0,0,1,TOX3340,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
0,0,0,0,1,0,0,0,0,0,0,0,TOX3347,C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
0,0,0,0,0,0,0,0,0,0,0,0,TOX3349,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
0,0,0,0,0,0,0,0,0,0,0,0,TOX24771,CC(CC(C)C)=NO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24770,COc1ccc(COC(C)=O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24777,CC(C)(O)C(=O)c1ccc(OCCO)cc1
0,0,0,,0,0,1,1,0,,0,0,TOX24776,C=CC(=O)OCCC#N
0,,0,,0,0,0,0,0,0,0,0,TOX24774,O=C1CCCCCCCCCCCC(=O)OCCO1
0,0,0,0,0,0,0,0,0,,0,0,TOX1853,OCCN1CCNCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1851,CC(C)(O)CCc1ccccc1
0,0,0,,,0,0,0,0,0,0,0,TOX1856,CCCCc1ccc(N)cc1
0,0,0,,1,0,0,,0,0,,0,TOX1857,CCCCCCCCCc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1854,CN(C)Cc1ccccc1
0,0,0,0,,0,0,0,0,0,,0,TOX15175,c1coc(CNc2[nH]cnc3ncnc2-3)c1
0,0,0,0,0,0,0,,0,,,0,TOX6151,Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
0,,1,,1,0,0,0,,0,0,0,TOX17752,O=C(Oc1ccccc1)c1cccc(C(=O)Oc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6157,Cc1c(N=C=O)cccc1N=C=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX358,OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
0,0,0,0,0,0,0,,0,0,0,0,TOX21208,CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21209,C=C(C)C1CCC(C)(O)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX24463,C=C[Si](OCC)(OCC)OCC
1,1,1,,1,,1,1,1,1,,1,TOX21206,c1csc(-c2ccc(-c3cccs3)s2)c1
0,0,1,,1,0,0,,0,0,0,0,TOX352,O=NN([O-])c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX355,O=S(=O)([O-])NC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX354,N#CNC(=N)N
0,0,0,0,0,0,0,0,0,0,0,1,TOX357,N=c1ccn2c(n1)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
1,,1,,1,,0,,1,0,,0,TOX29079,Nc1ccc2c(c1)Cc1ccccc1-2
0,0,0,0,0,0,0,0,0,0,0,0,TOX29078,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-]
0,0,,,1,0,,,0,0,1,0,TOX29077,OCc1c2ccccc2cc2ccccc12
0,0,0,0,,0,0,0,0,0,0,0,TOX29074,CCn1cc[n+](C)c1.F[B-](F)(F)F
0,0,0,0,1,0,0,0,0,0,0,0,TOX29071,CC(=O)C(=O)CC(C)C
0,0,0,0,0,0,0,1,0,0,0,0,TOX29070,CCCC[n+]1ccccc1C
,,,,,,,0,,0,,,TOX31552,CC(C)(C)NCC(O)COc1ccccc1OCC1CCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1199,CCCCN(CC)C(=O)SCCC
0,0,0,0,1,0,0,0,0,0,,0,TOX1198,CC(C)NCC(O)COc1cccc2ccccc12
,0,0,0,0,0,0,0,0,0,0,1,TOX733,CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
0,,0,0,0,0,0,,0,0,0,0,TOX27333,Cc1ncc([C@@H](CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1
0,0,0,0,0,,,1,,0,1,,TOX27337,CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)[O-])c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1
0,,,,,0,,,,0,1,0,TOX27334,Fc1ccccc1[C@@H](F)CO[C@H]1CC[C@H](Nc2[nH]cnc3nncc2-3)CC1
0,0,0,0,,0,0,0,0,0,0,0,TOX27335,CO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.O=C([O-])CCC(=O)O
0,0,0,0,0,0,,0,0,0,,0,TOX27339,CN(C)C(=O)NC1(c2ccccc2)CCN(CC[C@@]2(c3ccc(F)c(F)c3)CN(C(=O)c3ccccc3)CCO2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20643,Cc1cccc(C)c1NC1=NCCCS1
1,0,0,0,0,0,0,0,0,0,0,0,TOX113,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
0,0,0,,0,0,0,0,0,,0,0,TOX20316,Cl[Ni]Cl
,,,,,,,0,,0,,,TOX20647,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX112,CCNc1nc(Cl)nc(NC(C)C)n1
0,0,,0,,,0,0,0,0,1,0,TOX26421,O=S(=O)(O)c1ccc(O)cc1
,,,,,,,1,,0,,,TOX26420,CCCCNC(=N)NC(=N)N
0,0,0,0,0,0,0,,0,0,,0,TOX26423,O=C(CCN1CCN2CCCC2C1)N1c2ccccc2Sc2ccc(Cl)cc21
0,0,,,,0,,,,0,,,TOX110,COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1
1,1,0,,,0,0,0,0,0,,0,TOX26425,NC(=O)NS(=O)(=O)c1ccc(N)cc1
1,0,0,0,0,0,,0,,0,,,TOX26427,COc1ccc(CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1OC
0,0,,,,0,0,0,0,0,,0,TOX26426,CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
0,,,,,1,,,1,,,,TOX115,CCP(CC)(CC)=[Au]S[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
0,0,1,,,0,0,0,0,0,1,1,TOX114,CN(C)c1ccc(C(=N)c2ccc(N(C)C)cc2)cc1
0,0,0,,0,0,0,0,0,,,0,TOX7487,CCOP(=S)(Cl)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7489,CO[Si](CCCOCC1CO1)(OC)OC
0,,1,1,,0,,,0,0,1,0,TOX27598,C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O
0,0,0,,,0,0,,0,0,,0,TOX1224,Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(O)ccc6cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c56)c(C)c4)cc3C)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4615,[Cr+2].c1cc[cH-]c1.c1cc[cH-]c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX1221,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX27593,CC1=CCC(C(C)C)C=C1
0,0,0,0,0,0,0,0,0,,0,0,TOX1223,Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21
0,0,1,,0,0,0,1,0,0,1,0,TOX1222,ON=C1C=CC(=NO)C=C1
0,0,1,0,,0,,,0,,0,0,TOX28851,C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCc1ccccc1
0,0,0,,1,1,0,0,0,,1,,TOX9055,CC(C)CCCCCCc1ccc(O)cc1
0,0,1,,1,,0,0,1,0,,0,TOX21995,c1coc(-c2nc3ccccc3[nH]2)c1
0,,,,1,1,0,1,0,0,0,0,TOX21997,O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1
0,,0,0,0,0,,1,0,1,1,1,TOX24161,Cl[Sb](Cl)Cl
0,0,,0,1,1,0,0,0,0,0,0,TOX25852,CC(C)NNC(=O)c1ccncc1
0,0,0,0,0,0,0,0,0,0,,0,TOX1081,O=[N+]([O-])c1ccc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c([N+](=O)[O-])c1
0,0,1,0,,0,0,1,0,0,0,0,TOX1080,COc1ccc2[nH]c(S(=O)Cc3ncc(C)c(OC)c3C)nc2c1
0,1,0,0,0,1,1,0,1,0,0,1,TOX1084,COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O
1,0,0,0,1,0,0,0,0,0,0,0,TOX1087,O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
0,0,0,0,1,0,0,0,0,0,0,0,TOX1086,CNC(=O)ON=C(SC)C(=O)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24357,COc1ccc(CO)cc1
0,0,0,,,0,0,0,0,0,0,0,TOX13105,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX21199,CN(C)Cc1ccccc1O
0,0,0,0,1,0,0,1,0,0,0,0,TOX28643,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I
0,0,0,0,0,0,0,,0,0,0,0,TOX28642,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28647,CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
0,0,0,0,0,0,0,,0,,0,0,TOX28646,C=CC1(C)CC(OC(=O)CO)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O
1,1,0,,,0,0,,0,,0,0,TOX28645,C=C1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
0,,,1,,,0,1,,0,1,,TOX27922,CCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX6195,Clc1cc(Cl)cc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6193,Clc1cccc(Cl)c1Cl
0,0,0,,0,0,,1,1,1,1,1,TOX6190,O=C(CCl)c1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX2754,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N/OCC(=O)O)c3csc(N)n3)[C@H]2SC1
0,0,0,0,0,0,0,,0,,0,0,TOX2752,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3c[nH]nn3)CS[C@H]12)c1ccc(O)cc1
,,,,,,,,,1,,,TOX31598,O=c1[nH]sc2cc(Cl)ccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX3481,CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2
,,,,,,,0,,0,,,TOX3480,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3487,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
,,,,,,,1,,0,,,TOX3485,O=C(CCBr)N1CCN(C(=O)CCBr)CC1
0,0,0,0,,0,0,0,0,0,1,0,TOX2100,CCCc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6448,CCC(CO)(CO)CO
0,0,1,1,0,0,0,,0,,0,0,TOX25691,Cc1cccc(C(C)c2c[nH]cn2)c1C
0,0,0,0,0,0,0,0,0,0,,0,TOX25690,CCOc1ccccc1O[C@H](c1ccccc1)[C@H]1CNCCO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6441,COC(C)(C)OC
0,0,0,0,,0,0,0,0,0,0,0,TOX6444,CC(CO)(CO)CO
0,0,1,,1,0,,0,1,0,,,TOX2288,CCCCCCOc1ccc(N)cc1
0,1,1,1,0,,0,1,,0,1,1,TOX5258,CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX2579,CN(C)c1nc(N(C)C)nc(N(C)C)n1
0,0,1,,1,0,0,,,0,,0,TOX631,Nc1ccc(-c2ccc(F)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX980,CCC[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX981,CC(C)[N+](=O)[O-]
0,0,,0,0,1,,1,,,1,,TOX983,O=[N+]([O-])c1ccc2ccc3cccc4ccc1c2c34
1,0,0,0,1,1,0,,0,,1,0,TOX2574,C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
0,0,,0,0,0,0,0,0,0,0,0,TOX2576,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
0,0,0,,0,1,,1,0,1,0,1,TOX5257,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
,,,,,,,0,,0,,,TOX2646,CN(C)CCCOC1(Cc2ccccc2)CCCCCC1
1,,0,0,,0,0,0,0,0,0,0,TOX6089,Clc1cc(Cl)c(Cl)c(Cl)c1
0,0,0,0,0,0,0,,0,,0,0,TOX25439,CC1CS(=O)(=O)CCN1N=Cc1ccc([N+](=O)[O-])o1
0,0,0,0,0,0,0,1,0,0,0,0,TOX25348,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25345,CC[C@@H](CO)NCCN[C@@H](CC)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX25437,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1
0,0,0,,0,0,0,0,0,0,,0,TOX6500,CC(C=O)Cc1ccc(C(C)(C)C)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX25434,O=C(Cn1ccnc1[N+](=O)[O-])NCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2641,NCC(CC(=O)O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX3899,CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
0,0,1,,0,0,,0,0,0,1,0,TOX184,Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)[O-])cc5cc(S(=O)(=O)[O-])c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)c(N)c1
0,0,,,,0,0,0,0,0,0,0,TOX181,O=[Bi]Cl
0,0,,0,1,1,,1,0,0,1,0,TOX182,CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
0,0,,0,1,0,0,0,0,0,,0,TOX7716,CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC(=O)CCCCCCC/C=C\CCCCCCCC
0,,0,,,,,1,0,,1,,TOX7714,CCCCCCCC/C=C\CCCCCCCCOCCO
0,,0,,,,,,,1,,1,TOX24381,O=C1C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1
,,,,,,,0,,0,,,TOX3626,NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1
0,0,1,0,0,0,0,1,0,0,0,0,TOX3624,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)=O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX3623,O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1
0,0,0,1,0,0,0,0,0,0,0,0,TOX3622,Nc1ccc(S(N)(=O)=O)cc1
0,0,0,0,0,0,0,1,0,0,0,0,TOX3621,O=C1OC(c2ccc(O)c(S(=O)(=O)[O-])c2)(c2ccc(O)c(S(=O)(=O)[O-])c2)c2c(Br)c(Br)c(Br)c(Br)c21
,,,,,,,0,,0,,,TOX3620,CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1
0,0,0,0,0,1,0,,0,0,0,0,TOX3159,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
0,,,0,0,0,,,,,,0,TOX3629,CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@H](C(=O)OC)[C@H]2OC)cc1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX3628,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
0,,1,1,1,,,,,0,1,1,TOX23777,Nc1ccc2cc3ccc(N)cc3nc2c1.Nc1ccc2cc3ccc(N)cc3nc2c1
0,0,,0,0,0,0,1,0,0,0,0,TOX7905,C/C(=C\C(C)CC(C)CC(C)C)C1CC(=O)OC1=O
0,0,0,0,0,0,0,1,0,0,,0,TOX17303,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,,0,0,0,0,,1,1,0,1,0,TOX4845,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
0,0,0,0,,0,0,0,0,0,0,0,TOX21437,CC(CO)(CO)[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX21436,CCC(C)(C)O
0,0,0,0,0,0,0,1,0,0,,0,TOX4840,[Co+2].c1cc[cH-]c1.c1cc[cH-]c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21431,CC(C)Oc1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX10955,CC12CCC(CC1=O)C2(C)C
0,0,0,0,,0,0,0,0,0,0,0,TOX27108,SC1CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27459,O=C1[N-]S(=O)(=O)c2ccccc21.O=C1[N-]S(=O)(=O)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX27456,O=C1OC(=O)C2C3C=CC(C3)C12
0,0,0,,0,0,0,0,0,0,0,0,TOX27107,CC(CC=O)CC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27453,C1CCN(CN2CCCCC2)CC1
0,0,0,0,0,,,0,0,,0,0,TOX27450,Clc1ccc2[nH]nnc2c1
0,0,0,0,0,0,0,,0,0,,0,TOX5733,NC(=O)c1ccccc1[N+](=O)[O-]
0,0,0,,0,0,0,0,0,0,0,0,TOX5732,NC(=O)c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5737,O=C(O)c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5738,O=C(O)c1ccccc1[N+](=O)[O-]
0,0,0,,0,0,0,0,0,0,1,0,TOX11531,CN(C)c1ccc(C(c2ccccc2)c2ccc(N(C)C)cc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26859,COc1cc(C=CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX4462,Nc1cccc(S(=O)(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26850,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26851,CCCCCCCCCCOc1cc2c(O)c(C(=O)OCC)cnc2cc1OCC
0,,1,,1,0,0,,1,,,1,TOX26852,CC(C)OC(=O)Nc1ccc2[nH]c(-c3cscn3)nc2c1
0,0,,1,,,,0,0,0,1,,TOX26853,CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21
0,,0,0,,0,,,,,0,,TOX26855,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC2OC2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
0,0,0,0,0,0,0,,0,,0,0,TOX26857,Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br
0,0,0,,0,0,,,0,,,,TOX22169,CCCCCCCCCCCCCOP(=O)(O)O
,,,,,,,0,,0,,,TOX31431,COc1ccc2cccc(CCNC(C)=O)c2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22167,O=C([O-])c1ccccc1C(=O)O
0,1,0,,0,1,,1,1,,,0,TOX5342,N#C/C=C/C#N
0,0,0,,0,0,,1,0,1,0,,TOX6294,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C
0,0,1,0,0,0,0,1,0,0,0,0,TOX6293,Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX20459,CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC
0,0,0,,0,0,0,0,0,0,0,0,TOX5085,CC(C)NC(C)C
0,0,0,0,,,0,0,0,0,0,0,TOX5086,CC(C)N=C=NC(C)C
0,0,0,0,1,0,0,0,0,0,0,0,TOX5080,CC(C)CC(=O)CC(C)C
,0,0,0,0,0,0,,0,0,0,0,TOX5082,CC(C)(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX28817,CC(Cc1ccc2c(c1)OCO2)NO
0,0,0,0,0,0,0,,0,0,0,0,TOX28814,CCc1cc(OC)c(C[C@H](C)N)cc1OC
0,0,0,0,0,0,,,0,,,0,TOX28815,CCc1cc(OC)c(C[C@@H](C)N)cc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX28812,COc1ccc(OC)c(CC(C)N)c1
0,0,0,0,1,0,0,,0,,0,0,TOX28951,CC1(C)C2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
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0,0,0,0,0,0,0,0,0,1,0,0,TOX28819,CNC(C)Cc1ccc2c(c1)OCO2
0,0,0,0,0,0,0,0,0,0,0,0,TOX86,CC=Cc1ccc(OC)cc1
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0,0,0,0,0,0,0,0,0,0,,0,TOX9275,CC[C@@H](N)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX88,OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O
,,,,,,,0,,0,,,TOX31435,C[C@H]1C[C@H](O)c2ccsc2S1(=O)=O
1,0,1,,1,0,0,1,0,0,0,0,TOX1144,NNCCc1ccccc1
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0,0,1,0,0,0,,1,0,0,1,0,TOX1148,NNc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1142,CNC[C@H](O)c1cccc(O)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX1415,CC(O)CN(CC(C)O)CC(C)O
0,,1,0,0,0,0,0,0,0,0,0,TOX1418,NC(Cc1c[nH]c2ccccc12)C(=O)O
0,0,1,0,0,0,0,0,0,0,0,0,TOX1419,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
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0,0,0,,1,0,0,,0,0,0,0,TOX13595,COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24751,Nc1cc(S(=O)(=O)O)ccc1S(=O)(=O)O
0,0,,0,0,0,0,0,0,0,0,0,TOX24750,COc1ccc(N)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX24753,CC(C)=CCCC(C)C=O
1,0,,,,0,0,0,1,0,,0,TOX3369,CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX24755,C=CCOC(=O)CCC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3819,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24757,CC(C)CCOC(=O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24756,CC1=CC[C@H](CC=O)C1(C)C
0,0,,,,0,,,,1,1,0,TOX3363,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3367,OCc1cccnc1
0,0,,0,0,0,0,0,0,0,0,0,TOX23908,CC(C=O)Cc1ccc2c(c1)OCO2
0,0,0,,1,0,0,0,0,0,,0,TOX23902,CCCCN(CCCC)C(=O)N(CCCC)CCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX18822,CC(C)(COC(=O)c1ccccc1)COC(=O)c1ccccc1
,,,,,,,1,,0,,,TOX31444,C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C)[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21
0,0,0,,,0,0,,0,,1,,TOX373,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)Cl)cc1
0,0,0,0,1,1,0,0,0,0,1,,TOX372,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX371,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX370,CN(C)NC(=O)CCC(=O)O
0,0,0,0,1,1,0,0,0,0,1,,TOX375,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
0,0,0,0,,0,0,1,0,0,1,,TOX374,ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,0,,1,1,0,,0,0,0,0,TOX379,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21220,O=C1NC(=O)[C@@H]2CC=CC[C@H]12
0,0,0,,0,0,0,0,0,0,0,0,TOX21224,OCCCCC(O)CO
0,0,0,0,1,0,0,0,0,0,0,0,TOX4506,Nc1ccc(O)c(C(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX16226,CCCCCCCCOS(=O)(=O)[O-]
0,0,0,0,0,0,0,,0,,,0,TOX21045,CN[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3OC4(O[C@H]23)O[C@H](C(N)CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
0,0,0,0,0,0,0,,0,0,0,0,TOX16229,CCCCCCCCCCOS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX26623,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12
0,0,0,0,0,0,,,0,,0,0,TOX26621,CCC(=O)OC(OP(=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX26195,COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC
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1,1,0,,1,1,0,,0,,0,0,TOX26198,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
1,1,0,0,0,0,0,,0,0,1,0,TOX26628,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26999,COc1cccc(OC)c1C(=O)O
0,0,0,,,,,,,0,1,,TOX27351,COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@@H](C)CCC[C@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1
0,0,0,0,0,0,0,,0,,0,0,TOX26991,CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26994,CCOC(=N)CC(=O)OCC
0,,,,,0,,0,0,0,,1,TOX26445,C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
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,,,,,,,0,,0,,,TOX26440,N[C@@H](CSCCCO)C(=O)O
0,,0,0,0,0,0,1,0,,0,0,TOX22281,O=C(O)C(=O)Cc1ccccc1
0,0,1,0,,0,0,0,0,0,,0,TOX22280,CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX22285,CCOP(=O)(N=C1SCCS1)OCC
0,0,,,0,0,0,1,0,0,,0,TOX26449,O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1
0,,0,1,0,,0,,0,,,0,TOX26448,O=C([O-])C[C@H](O)CC(O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27356,CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O)C(C)C
0,,0,1,1,0,,1,0,0,1,,TOX27357,CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX4638,Brc1ccccc1-c1ccccc1
,,,,,,,0,,0,,,TOX31450,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
,,,,,,,0,,,,,TOX31453,COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1
,,,,,,,0,,0,,,TOX31454,CC(Cc1ccccc1)NCCCCl
,,,,,,,,,0,,,TOX31455,COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4637,Brc1ccccc1
0,,0,,,,0,,,,,1,TOX20668,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX20664,CC=CC(=O)N(CC)c1ccccc1C
0,0,,0,0,0,0,,0,,0,0,TOX20666,Cc1c(O)c(=O)ccn1C
0,,0,0,0,0,,,0,0,,0,TOX28484,O=C(O)c1cccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1
0,0,0,,,,,,0,1,,,TOX28486,O=C(CCCCCCCCc1cccnc1)N1CCC(C=C(c2ccccc2)c2ccccc2)CC1
0,0,0,0,,0,,1,0,0,,0,TOX28481,Cn1c(=O)cc(Oc2ccc(F)cc2F)c2cnc(NCC(C)(C)O)nc21
0,0,0,,,0,,1,0,0,,0,TOX28480,CS(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2cnccn2)cc1Cl
0,0,0,,1,0,0,,0,0,0,,TOX28483,CCCN(C1CCN(C(=O)C2CCNCC2)CC1)[C@@H]1CCc2ccc(OC)cc2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27712,CC1(C)SC(C)(C)SC(C)(C)S1
0,0,0,0,,0,0,0,0,0,1,0,TOX27714,CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl
0,0,,0,0,0,0,0,0,0,,0,TOX27715,C/C=C\c1ccc(OCC)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28661,O=C(O)CSCC(=O)NC1CCSC1=O
0,0,1,,0,0,0,,0,0,0,0,TOX28663,CC(C)=CCOc1c2occc2cc2ccc(=O)oc12
,,,,,,,0,,0,,,TOX28665,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
0,0,0,0,1,1,0,,0,,0,0,TOX28664,N=C(N)NCCCCNC(=N)N
0,0,0,0,,0,0,,0,,0,0,TOX28667,CCN(CC)N(O)N=O.CCNCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX28666,O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27904,C=CCn1cc[n+](C)c1
0,0,,,,,,0,,,,,TOX27902,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,,1,1,0,1,0,0,,0,TOX2777,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
0,0,0,0,1,1,0,,0,,0,0,TOX2774,CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1607,CCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1605,O=C(O)CCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1604,CCCCCC=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX1603,CCCCCC/C=C/CCCCCCCC(=O)O
0,0,0,0,1,1,0,0,0,0,0,0,TOX1602,CCCCCCCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1601,O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1600,CCCCCCC(=O)O
0,0,0,0,1,0,0,0,0,0,0,0,TOX1608,CCCC(=O)CC
0,0,0,0,0,0,0,1,0,0,0,0,TOX6461,CC(C)C#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX5272,CCOC(=O)c1ccccc1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX2556,Nc1nc2c(ncn2COCCO)c(=O)[nH]1
0,0,,,0,0,0,,0,,,,TOX2559,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
0,0,0,1,0,0,0,0,0,0,,0,TOX618,N#Cc1ccc(C2CCCc3cncn32)cc1
0,,1,0,0,0,0,1,0,0,1,0,TOX619,CN(C)c1ccc(N=NS(=O)(=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX969,CC[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX966,O=C(O)c1ccc([N+](=O)[O-])cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX967,CCCC[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,1,0,TOX965,O=[N+]([O-])c1ccc2[nH]cnc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX962,COc1ccccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX13161,CNC(=O)O/N=C/C(C)(C)S(C)=O
0,0,1,0,0,0,0,,0,0,1,0,TOX960,O=[N+]([O-])c1ccc2c3c(cccc13)CC2
0,0,0,,0,0,,0,0,0,0,0,TOX961,Nc1ccc([N+](=O)[O-])cc1
1,,1,,1,,0,,1,,1,1,TOX25410,CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1
0,0,0,0,0,0,0,,0,0,,0,TOX25413,Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1
,,,,,,,0,,0,,,TOX25412,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O
0,0,,0,0,0,0,0,0,0,0,0,TOX25417,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25416,CCN(CC)c1cc(C)nc2ncnn12
0,0,0,0,,0,0,0,0,0,0,0,TOX25419,CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX14676,CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1
0,0,,0,0,0,0,0,0,0,0,0,TOX14673,COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(OC)n1
0,0,,,0,0,0,,0,,,0,TOX14672,II
0,0,0,0,0,0,0,1,0,0,1,1,TOX1959,Oc1c(Br)cc(Br)cc1Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX1958,CCOC(=O)c1ccccc1O
1,0,0,0,0,0,0,0,0,1,0,0,TOX1957,O=C(Oc1ccccc1)c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1956,CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
0,0,,0,1,0,0,1,0,0,1,0,TOX1952,O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7736,Cc1ccc(S(=O)(=O)[O-])cc1.[Na+]
0,0,0,0,0,0,0,,0,0,0,0,TOX7738,CC1C=[C-]C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn+]
0,0,0,0,0,0,0,,0,,0,0,TOX3600,O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
0,0,0,0,0,0,0,0,0,0,0,0,TOX3603,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
,,,,,,,,,0,,,TOX3606,CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3608,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7656,CCCCC(CC)COC(=O)CS
0,0,0,0,0,0,0,,0,0,,0,TOX7652,C=CC(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX7653,C=C(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7650,C=CC[N+](C)(C)CC=C
0,0,0,0,0,0,0,,0,1,,,TOX15784,CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C
0,0,0,0,,0,0,,0,1,,0,TOX15783,COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C
0,0,0,0,0,0,0,1,0,0,0,0,TOX7658,CCCCCCCCS(=O)(=O)Cl
0,0,,0,0,0,0,0,0,0,0,0,TOX23714,Cn1nnc2c(C(N)=O)ncn2c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX14924,O=C([O-])C(Cl)(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX5243,CCCCCCCCCCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21418,CCC(CC)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21417,CCC(CO)(CO)[N+](=O)[O-]
0,,0,0,0,0,0,0,0,0,0,0,TOX21416,CCC(CC)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX21413,C=C(C)[C@@H]1CC=C(C)C(=O)C1
0,0,0,0,0,0,0,1,0,0,0,0,TOX21412,O=C(CCl)NCO
0,0,0,0,0,0,0,,0,,0,0,TOX26290,NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)N=C(N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O
0,0,1,0,0,0,,,0,0,0,0,TOX26296,O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21
0,0,0,0,0,0,0,1,0,0,,0,TOX26297,O=[N+]([O-])c1cccc(S(=O)(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1
0,0,,0,0,0,0,0,0,0,,0,TOX26295,OC(C#CCN1CCCC1)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX26298,O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1
0,0,,0,,0,0,0,0,0,0,0,TOX26299,CCCOC(=O)c1ccc(N)cc1
,,,,,,,0,,0,,,TOX31599,CCCOC(=O)c1cncn1C(C)c1ccccc1
0,0,0,0,0,0,0,,0,0,0,0,TOX27474,SCCCCCCCCS
1,1,0,1,1,1,,1,0,0,,0,TOX27477,C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
,,,,,,,0,,0,,,TOX31591,Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2
,,,,,,,0,,0,,,TOX31590,COc1cc(S(N)(=O)=O)cc(C(=O)O)c1OC
,,,,,,,1,,0,,,TOX31593,CC(=O)N1CCN(c2ccc(O)cc2)CC1
,,,,,,,0,,0,,,TOX31595,COc1ccccc1N1CCN(CC(O)COc2cc(OC)c(OC)c(OC)c2)CC1
,,,,,,,0,,0,,,TOX31594,CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1
,,,,,,,0,,0,,,TOX31597,CN1CCN(N)CC1
,,,,,,,0,,0,,,TOX31596,Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I
0,0,0,,,0,0,0,0,0,0,0,TOX5478,CC(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5474,C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6927,CCCCCCCCCCCCCCN(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6926,CCCCCCCCCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6924,CCCCCCCCCCCCCCCCN(C)C
0,0,0,0,0,0,1,0,0,0,0,0,TOX6922,OCCOCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6921,CCCCCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX9159,CC(C)CC(C)CC(O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9158,OCCN1CCN(CCO)CC1
0,0,0,0,1,0,0,0,0,0,0,0,TOX9157,CCCCCC(C=O)=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9153,O=C(OCc1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9152,COc1ccc(C)cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX9150,CCC(N)(CO)CO
0,0,1,1,0,0,0,0,0,0,0,0,TOX5715,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
0,0,1,,0,0,,,0,0,1,1,TOX5716,O=C1c2ccccc2C(=O)C1(O)O
0,,0,0,,,0,,,,1,,TOX26876,CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](C=CC(C)(C)[C@]1(O)O2)O4)O3
0,,0,,,1,1,,1,,,1,TOX26872,Oc1ccc([Hg]Cl)cc1
0,,,,,0,,,0,,0,1,TOX26870,COC(COC(N)=O)C1=C(N2CC2)C(=O)C(C)=C(N2CC2)C1=O
0,0,0,0,0,0,0,,0,,0,0,TOX26871,CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13
0,0,0,0,0,0,0,0,0,0,0,0,TOX22149,COC(=O)CC(=O)C(C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX22146,COC(=O)c1cc(Cl)cc(Cl)c1
0,0,0,,0,0,,,,0,0,0,TOX22145,COC(=O)C(Br)CBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX22143,COC(=O)Cc1cccc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX20436,Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1O
0,,0,1,,0,,,,,1,,TOX28624,CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
1,1,0,,0,0,0,,0,,0,0,TOX20438,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
0,0,0,0,0,0,0,,0,,0,0,TOX20129,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F
0,0,0,0,0,0,0,,0,,0,0,TOX28878,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
1,,0,0,1,1,0,,0,,0,1,TOX28879,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-]
0,,0,0,0,,0,0,0,0,1,,TOX28874,NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1
0,0,0,0,0,0,0,,0,,0,0,TOX28875,Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
0,0,1,0,0,0,0,,0,,0,0,TOX28876,COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)C2
0,0,0,,,0,0,,,,1,1,TOX28871,O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
0,0,0,0,0,0,0,,0,,0,0,TOX28872,CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1
0,,,,0,,0,1,,0,,1,TOX28873,COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX1382,ClC=C(Cl)Cl
0,0,0,0,,0,0,,0,0,0,0,TOX1380,ClCC(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1381,CC(Cl)(Cl)Cl
0,0,,0,0,0,0,1,0,0,1,0,TOX1386,Oc1c(Cl)cc(Cl)cc1Cl
0,0,0,0,0,0,1,0,0,0,,0,TOX1387,CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)O
0,0,0,,,0,0,1,0,,1,1,TOX1385,O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl
0,0,0,0,0,0,0,1,0,0,,0,TOX1388,O=C(O)COc1cc(Cl)c(Cl)cc1Cl
1,1,,,,0,0,0,0,0,1,0,TOX25646,CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,,0,0,0,0,0,,0,TOX6633,CN(C)C1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6631,O=C(Cl)c1ccccc1
0,0,1,0,1,1,0,1,0,0,,,TOX17522,CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O
0,0,0,0,0,0,0,,0,0,0,0,TOX17523,CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1162,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
0,0,1,0,0,0,0,0,0,0,0,0,TOX1160,Nc1c(Cl)c(Cl)nc(C(=O)O)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2128,C=C(C)C(=O)OCCO
0,0,0,0,1,0,0,1,0,0,0,0,TOX2123,C=CC(=O)OCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2121,O=P(c1ccccc1)(c1ccccc1)c1ccccc1
0,0,1,0,1,0,0,0,0,,0,0,TOX2120,CCOP(=S)(OCC)SCSc1ccc(Cl)cc1
0,0,0,,1,1,,1,0,0,1,,TOX2127,Oc1ccc(Oc2ccccc2)cc1
0,0,0,,,0,,,,,1,,TOX3835,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
0,0,,1,0,0,0,0,0,0,,0,TOX24737,CCOc1cc([N+](=O)[O-])c(OCC)cc1N1CCOCC1
0,0,0,0,0,0,0,,0,,0,0,TOX24735,O=S(=O)([O-])c1cccc(S(=O)(=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24734,CN(C)CCOCCN(C)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24733,O=C([O-])c1cccc([N+](=O)[O-])c1
0,0,1,0,0,0,0,1,0,0,1,,TOX24731,O=C1NC(=O)c2cccc3cccc1c23
0,,0,0,0,0,1,0,0,0,,0,TOX24738,CCOC(=O)C1=NN(c2ccccc2)C(=O)C1
0,0,0,0,0,0,0,0,0,1,0,0,TOX18808,C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX18800,CCCCOC(=O)CCC(C)=O
0,0,1,,1,0,0,0,1,0,0,0,TOX18801,c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX5632,Cc1ccc(N)c([N+](=O)[O-])c1
0,0,0,,0,0,0,,0,0,0,0,TOX28123,ClCC=CCCl
0,0,0,0,0,0,0,0,0,,0,0,TOX5634,Cc1ccc([N+](=O)[O-])c(N)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6501,CC1=CCC2CC1C2(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX390,CC(=O)NNC(C)=O
0,0,0,1,0,0,0,0,0,0,0,0,TOX392,C=CCOC(=O)c1ccccc1C(=O)OCC=C
0,0,1,0,1,1,0,0,0,0,1,1,TOX5983,Oc1cccc(O)c1O
0,0,1,,1,0,0,1,0,0,1,0,TOX971,O=[N+]([O-])c1ccc2c(c1)Cc1ccccc1-2
,,,,,,,0,,0,,,TOX31509,COC(=O)c1cc(Cl)ccc1OC
0,0,0,0,0,0,0,0,0,0,,0,TOX606,CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
0,0,0,0,0,0,0,,0,,,0,TOX26542,O=C(OCc1ccccc1)c1cccnc1
0,,0,,0,0,,1,0,0,1,0,TOX972,O=C1CN(N=Cc2ccc([N+](=O)[O-])o2)C(=O)N1
0,0,0,0,0,0,0,,0,,0,0,TOX26540,OC1OC[C@@H](O)[C@H](O)[C@@H]1O
0,0,0,0,1,1,0,0,0,0,0,0,TOX26541,NC(=O)CCCCC1CCSS1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6718,CCOC(=O)CC#N
,0,,0,0,0,0,0,0,0,0,0,TOX6714,CCCC(C)CO
0,0,0,0,0,0,0,,0,0,0,0,TOX6715,CCOC(=O)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX6716,COC(=O)CC(C)=O
0,0,0,0,0,0,0,0,0,0,,0,TOX6710,COc1ccc(C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6711,CCc1ccc(CC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6712,OCC1CCC(CO)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6713,C=C(C)C(=O)OCCN(CC)CC
0,0,0,0,1,1,0,,0,,,0,TOX26608,CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,1,,0,,0,,0,0,TOX26601,O=P([O-])([O-])OC[C@@]1(O)O[C@H](COP(=O)([O-])O)[C@@H](O)[C@@H]1O
0,0,0,0,,0,,,0,,0,1,TOX26602,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F
0,0,0,0,,0,0,0,0,0,0,0,TOX26604,CCC(=O)O.CCC(=O)O.O=C(Nc1cccc(C2=NCCN2)c1)Nc1cccc(C2=NCCN2)c1
0,0,0,0,0,0,0,,0,,0,0,TOX26607,O=S(=O)([O-])CC(S)CS
0,,0,,,0,0,,,0,1,,TOX26606,CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
0,0,0,1,1,0,0,0,0,0,1,0,TOX4245,CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]
0,0,1,0,1,0,0,0,0,0,1,0,TOX4246,Brc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4247,Clc1cc(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,,0,0,1,0,0,,0,TOX4241,CCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,0,0,,0,0,0,0,0,0,0,TOX4242,CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n1cncn1
0,0,0,0,0,0,0,0,0,0,,0,TOX25392,COc1c2c(cc3c1OCO3)CCN(C)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX25390,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28880,CC(C)CC(NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H]1CCC(=O)N1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O
1,1,0,0,,0,,,0,0,,0,TOX26465,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C
,,,,,,,0,,0,,,TOX25391,CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1
1,0,0,,0,0,0,,0,,0,0,TOX26462,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2NC(=O)C(O)CN)OC[C@]1(C)O
0,,0,0,,0,,,0,,0,0,TOX28884,Cc1cc(-n2c(=O)[nH]c(=O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX28555,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28886,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX24856,CCOC(=O)NCCC[Si](OCC)(OCC)OCC
0,0,0,0,0,0,,0,0,0,1,0,TOX24857,CCO[Si](CC(C)C)(OCC)OCC
0,0,0,0,0,0,0,0,0,0,,0,TOX24678,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,,0,0,0,1,0,,0,,TOX28558,COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1
0,0,0,0,0,0,0,1,0,,0,0,TOX4652,O=[N+]([O-])C(Br)(CO)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX4657,OCCCBr
0,0,0,0,0,0,0,0,0,,0,0,TOX4659,Cc1cccc(Br)c1
0,0,0,0,,0,0,0,0,0,0,0,TOX4658,BrCc1ccccc1
,,,,,,,0,,0,,,TOX31478,CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](OC(=O)CC)[C@@H]2OC(=O)CC
,,,,,,,0,,0,,,TOX31479,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1
,,,,,,,0,,0,,,TOX31476,CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
,,,,,,,0,,0,,,TOX31477,CC(=O)/C=C/C=C1/C2CCC(C2)C1(C)C
,,,,,,,0,,0,,,TOX31474,CC1(C)OC(=O)Nc2ccc(Br)cc21
,,,,,,,0,,0,,,TOX31472,NS(=O)(=O)c1cc2c(cc1Cl)CN(C1CCCCC1)C2=O
,,,,,,,,,0,,,TOX31470,CCCCCCOC(=O)/N=C(/N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1
,,,,,,,,,0,,,TOX31471,Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1
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0,,0,,,,,,,,,,TOX6902,CCCCCCCCCCCCCCCCCC[N+](C)(C)C
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0,0,1,0,0,0,0,,0,,0,,TOX26813,N=C(NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1
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0,,,,,1,1,1,,1,,1,TOX22129,Cl[Hg]c1ccccc1
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0,0,0,0,0,0,0,0,0,0,,0,TOX28858,CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2ccccc2)CC1
0,0,0,0,0,0,,0,0,0,0,0,TOX28859,CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX10197,CC(C)Br
0,,0,,1,1,,1,0,1,1,,TOX1368,C=C1C(CCl)(CCl)C2(Cl)C(Cl)C(Cl)C1(Cl)C2(Cl)Cl
0,0,0,0,1,0,0,0,0,0,0,0,TOX25857,C=CCSCC1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1
0,,0,1,,0,0,,0,,,0,TOX1367,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,,0,0,0,0,0,0,0,TOX1360,Cc1ccccc1
0,0,1,0,1,1,0,1,0,0,1,0,TOX1361,Cc1ccc(N=C=O)cc1N=C=O
0,0,0,0,0,0,0,0,0,0,,0,TOX1362,Cc1ccccc1S(N)(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX18795,C[SiH](O[Si](C)(C)C)O[Si](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX692,C1N2CN3CN1CN(C2)C3
0,0,0,0,0,0,0,0,0,0,,0,TOX17508,Cc1cc(Cl)ccc1N=CN(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX9283,[SbH6+3]
0,0,0,0,0,0,0,0,0,0,0,0,TOX1109,O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
0,0,1,,0,0,0,,0,0,0,0,TOX9280,Cn1c(N)c(N=O)c(=O)n(C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9287,C[N+]1([O-])CCOCC1
0,0,,,0,0,0,0,0,,,0,TOX25854,CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1102,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-]
0,0,0,0,0,0,0,0,0,0,,0,TOX1103,COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1104,ClC(Cl)C(Cl)(Cl)Cl
0,0,0,0,0,0,0,1,0,0,,0,TOX1105,O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4466,Nc1ccc(C(=O)O)cc1
0,0,1,,0,0,0,0,0,0,0,0,TOX4467,Nc1nc2ccccc2s1
0,0,0,0,0,0,0,,0,,0,0,TOX28813,COc1ccc(OC)c(C[C@H](C)N)c1
0,0,0,0,1,0,0,1,0,0,1,0,TOX699,CCCCCCc1ccc(O)cc1O
0,0,0,0,0,0,0,,0,0,0,0,TOX17649,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
0,0,0,0,1,0,0,0,0,0,0,0,TOX3853,O=C([O-])c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
0,0,,0,0,0,0,,0,0,,0,TOX24719,CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24715,CC1(C)Cc2cccc(N)c2O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24714,NC(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)O
0,0,0,0,0,0,0,0,0,0,,0,TOX24716,O=C1CCCN1C1CCCCC1
0,0,,0,0,0,0,0,0,0,0,0,TOX24713,Nc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1/N=N/c1ccccc1C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX24712,COCc1ccc(COC)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4507,Nc1cc(C(=O)O)c(O)c(S(=O)(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX23941,O=CN1CCCCC1
0,0,0,0,0,0,0,0,0,0,1,0,TOX13334,C[C@@H]1CC2(OC3C[C@@]4(C)C5=CC[C@H]6C(C)(C)C(O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)C31)OC(O)C1(C)OC21
0,,0,,,0,1,1,,,1,,TOX28144,CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1
0,0,0,,0,0,0,0,0,,1,,TOX28145,Cc1ccc2oc(CN(Cc3ccccc3)C(=O)Nc3c(F)cc(F)cc3F)c(-c3ccc(Cl)cc3)c2c1
0,0,0,0,0,0,0,,0,,,0,TOX28143,Cc1[nH]cnc1C[C@H]1CCc2c(C)c3ccccc3n2C1=O
0,0,1,1,,0,,,0,0,1,0,TOX28148,Cc1oc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1C(C)(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28149,COc1ccc(-n2nc(C(F)F)cc2-c2ccc(S(C)=O)cc2)cc1
0,1,0,0,0,0,0,0,0,0,0,0,TOX6342,OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5337,NC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2455,COC(=O)c1ccccc1C(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX5332,NC(Cc1ccc(F)cc1)C(=O)O
0,,1,0,,0,,,,0,1,0,TOX5331,O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5330,O=C(Cl)c1ccccc1F
0,0,0,0,0,0,0,0,0,0,0,0,TOX2109,CCCCCCC1CCC(=O)O1
1,1,0,,1,1,0,1,0,0,0,,TOX3276,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
0,0,0,0,0,0,0,0,0,0,0,,TOX3277,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX3271,CC(=O)OC(C)C[N+](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX12688,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C
0,0,0,1,,,0,,0,,0,0,TOX12683,COC(=O)/C=C(\C)OP(=O)(OC)OC
0,0,0,0,1,0,0,0,0,0,0,0,TOX4888,O=P1(N(CCCl)CCCl)NCCCO1
0,0,0,1,,0,,,,0,,1,TOX4882,C[C@H]1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1
0,0,0,0,0,0,0,1,0,0,0,0,TOX17582,CCS(=O)(=O)CCSP(=O)(OC)OC
,0,0,,,0,0,0,0,0,0,0,TOX4886,C1CCCC1
0,0,0,,,0,0,0,0,0,1,0,TOX4885,Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1
0,0,0,,0,0,0,0,0,0,0,0,TOX9604,N#Cc1ccccc1C#N
0,0,0,0,0,0,0,,0,0,0,0,TOX27053,CC1=CC[C@H](C(C)C)C=C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6739,O=C(Cl)OCCOCCOC(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX11903,O=C(O)c1ccccn1
0,0,1,0,0,0,0,0,0,0,0,0,TOX29365,COc1nc(N)nc2nc[nH]c12
0,0,0,0,0,0,0,,0,,0,0,TOX26660,Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1
0,,,,,0,,,,0,,0,TOX20979,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
0,0,1,1,0,0,0,,0,0,,0,TOX4266,CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4261,COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
0,0,0,0,0,0,,0,0,0,0,1,TOX26482,Cc1nc2ccc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1
0,0,0,1,0,0,0,1,0,1,0,1,TOX26481,COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
1,1,0,,1,1,0,0,0,0,,0,TOX26480,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX26486,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
0,0,0,0,1,0,0,,0,,0,0,TOX26489,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
1,,0,1,1,,,,0,0,,0,TOX26488,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1
0,0,0,0,0,0,0,,0,0,0,0,TOX10760,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
0,0,0,0,0,0,0,0,0,0,,0,TOX3137,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27533,CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(C(=O)OCCCCCCCC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27535,CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC
0,0,0,0,0,0,,0,0,0,,0,TOX27289,CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(Cc3ccccn3)nc2c(=O)[nH]1
0,0,0,0,0,0,0,,0,0,0,0,TOX27286,COCCOC[C@H](CC1(C(=O)N[C@H]2CC[C@@H](C(=O)O)CC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2
0,0,0,0,,0,0,0,0,0,0,0,TOX27287,COCc1nnc(-c2ccc[n+]([O-])c2)n1-c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12
0,0,0,0,0,0,0,0,0,0,,0,TOX27284,O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27282,C[C@@H](Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4670,O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
0,0,0,,,0,0,,0,0,,,TOX27280,CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
,,,,,,,,,0,,,TOX31414,CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
,,,,,,,0,,0,,,TOX31415,CC(C)C[C@@H]1[C@H](c2ccccc2)OC(=O)N1CCCN1CCCCCC1
,,,,,,,,,0,,,TOX31416,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1
,,,,,,,0,,0,,,TOX31410,CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)cc3n21
,,,,,,,,,0,,,TOX31411,CCC(CN)=C(c1ccccc1)c1ccccc1
,,,,,,,0,,0,,,TOX31413,COCCc1ccccn1
,,,,,,,,,0,,,TOX31418,CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O
,,,,,,,0,,,,,TOX31419,CS(=O)(=O)c1ccc(-c2cn3ccccc3n2)cc1
0,0,0,,0,,1,,1,,,1,TOX20625,C=C(NC(=O)C(=C)NC(=O)c1csc(C2=NC3c4csc(n4)C4NC(=O)c5csc(n5)C(C(C)(O)C(C)O)NC(=O)C5CSC(=N5)/C(=C\C)NC(=O)C(C(C)O)NC(=O)c5csc(n5)C3(CC2)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC(=O)C(C(C)CC)NC2C=Cc3c(C(C)O)cc(nc3C2O)C(=O)OC4C)n1)C(N)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21626,Cc1ccc(C=O)cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX21627,CC(C)NC(=O)c1ccccc1N
0,,0,,0,0,0,0,0,,,0,TOX21622,CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C
0,0,1,,0,0,0,0,0,0,0,0,TOX21621,CCOC(=O)Cn1c(=O)sc2cccc(Cl)c21
0,0,0,,1,1,,1,0,0,,0,TOX21977,CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
0,0,0,,,0,0,0,0,0,,0,TOX21973,O=S(=O)(Oc1ccc(Cl)cc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21970,CC12CCC(C1)C(C)(C)C2O
0,0,0,0,0,0,0,0,0,0,,0,TOX24973,CCCCC(CC)C(=O)OC(C)C
0,0,0,0,,0,1,1,0,,,,TOX21978,O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1F
0,0,0,,0,0,0,0,0,0,0,0,TOX27754,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
,,,,,,,0,,0,,,TOX27755,N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27756,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
0,0,,,0,0,0,1,0,0,,0,TOX27757,CCCCOc1ccc(OCCCN2CCOCC2)cc1
0,0,0,0,,0,0,0,0,0,,0,TOX27752,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27753,CN1CCN(C(c2ccccc2)c2ccccc2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24975,CC(O)CN(CCCN(C)C)CCCN(C)C
0,0,0,0,0,0,0,,0,,,1,TOX27758,CN(C)CC/C=C1/c2ccccc2CSc2ccccc21
0,0,,0,,0,0,,0,0,,,TOX27759,CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24974,CN(C)CCCNCCCN(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX9616,c1c[nH]cn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9617,O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX9611,O=C(OCCOCCOCCOC(=O)c1ccccc1)c1ccccc1
1,0,0,0,0,0,0,0,0,0,0,0,TOX9612,C=C(C)C1CC=C(C)CC1
,,,,,,,0,,0,,,TOX2738,NC(CSCC(=O)O)C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX2732,CN1C2=CC(=O)C(=NNC(N)=O)C=C2CC1S(=O)(=O)[O-]
0,0,0,0,0,0,,0,0,0,0,0,TOX2730,C[N+](C)(C)CCOC(N)=O
1,1,0,0,0,0,0,0,0,0,0,0,TOX2731,NC(=O)N1c2ccccc2C=Cc2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX2736,CCOC(=O)n1ccn(C)c1=S
0,0,1,0,0,0,0,,0,0,1,0,TOX5101,CN(C)c1cccc(O)c1
0,0,0,0,0,0,0,,0,,0,0,TOX25679,COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1
0,0,,1,,0,,,,,,1,TOX25678,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=CC23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
0,0,0,0,1,0,0,0,0,0,0,0,TOX1182,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1643,CCCCCCCC=O
0,0,0,0,1,1,0,0,0,0,0,0,TOX1642,CCCCCCCCCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1641,CCCCCCCCC(=O)O
0,0,0,0,1,1,0,0,0,0,0,0,TOX1640,O=C(O)CCCCCCCC(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX1647,CCCC(=O)C(=O)O
0,0,0,0,0,0,0,,0,0,0,0,TOX1646,O=C(O)CC(=O)C(=O)O
1,,1,,,,0,1,1,0,,0,TOX2595,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1
1,0,0,,0,0,0,0,0,0,0,0,TOX2593,CC(=O)Nc1ccc(/C=N/NC(N)=S)cc1
,,,,,,,1,,0,,,TOX26468,CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX14503,CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX923,Cc1cccc(C)c1NC(=O)CN1CCCC1=O
0,0,1,0,0,0,0,,0,0,0,0,TOX920,Nc1cccc2ccccc12
0,0,1,,0,0,0,0,0,0,0,0,TOX921,Nc1ccc2ccccc2c1
0,0,0,0,,0,0,0,0,0,0,0,TOX927,CCCCN(CCCC)C(=S)S[Ni]SC(=S)N(CCCC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX929,NC(=O)c1cccnc1
0,0,,0,1,0,0,,0,,0,0,TOX28629,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX28620,Nc1nnnn1-c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25459,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX2984,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
0,0,0,0,0,0,0,,0,,,0,TOX25903,CO[C@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OCC(=CC=C[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O
0,0,0,0,0,0,1,,0,,,,TOX25902,CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25901,CC(=O)Oc1cccc(O)c1
1,1,1,,0,0,0,,0,0,1,0,TOX25907,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25906,Cc1c(NC(C)C)c(=O)n(-c2ccccc2)n1C
0,0,0,0,0,0,0,,0,,0,0,TOX25453,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](N=CN3CCCCCC3)[C@H]2SC1(C)C
0,0,,,1,0,0,,0,,0,0,TOX25904,COc1ccc2cc([C@H](C)CO)ccc2c1
0,0,0,0,0,0,0,,0,,0,0,TOX24648,CO[Si](CCCNc1ccccc1)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24647,C#CCN(C)Cc1ccccc1
0,0,0,0,,0,0,0,0,0,0,0,TOX3460,CN1C(=O)CC(c2ccccc2)C1=O
0,0,0,0,,0,0,,0,0,,,TOX3462,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1917,CCCCCC
0,0,0,0,0,0,0,0,0,1,0,0,TOX1916,CCCCCC(C)=O
0,0,0,0,,0,0,0,0,0,0,0,TOX1915,CCOC(=O)CCCCCCCCC(=O)OCC
0,0,0,,0,0,0,0,0,0,0,0,TOX24646,CC1(C)COP(Oc2ccccc2)OC1
0,0,0,0,0,0,0,1,0,0,0,0,TOX7774,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3]
0,0,,,,0,,,0,,1,,TOX7771,CCCCCCC(C)Nc1ccc(Nc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,1,0,0,TOX7770,C=CC(=O)NC(C)(C)CS(=O)(=O)O
0,,,,,1,,1,1,,1,,TOX7773,C=CC(=O)OCC(CC)(COC(=O)C=C)COC(=O)C=C
0,0,0,0,0,0,0,0,0,0,,0,TOX3645,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
1,0,0,,1,1,0,,0,,0,0,TOX3644,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2
0,0,0,0,0,0,0,,0,0,0,0,TOX3640,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
0,0,0,0,0,0,0,,0,,0,0,TOX3643,CC1(O)CCC(C(C)(C)O)CC1
0,0,0,0,0,0,0,,0,,,,TOX3642,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
0,0,1,0,0,0,0,1,1,0,1,0,TOX24503,O=C1c2ccccc2C(=O)C1c1nc2ccccc2c(Br)c1O
0,,0,,0,,,,1,1,0,,TOX24504,O=[N+]([O-])O[Cd]O[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24506,CC(=O)OCCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24644,CC(C)N1C(=O)c2ccccc2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX210,CCCCN(CCCCO)N=O
0,0,0,,,0,0,1,0,0,1,0,TOX211,CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O
0,0,0,,0,0,0,0,0,,,,TOX212,Cc1ccc(O)c(C(C)(C)C)c1
0,0,0,,,0,0,,0,1,0,1,TOX213,CCCCN(N=O)C(=N)N[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,1,0,TOX215,COc1ccc(O)c(C(C)(C)C)c1
0,0,0,0,0,0,0,0,0,,0,0,TOX7617,COC(=O)C1CC(=O)C(C(=O)OC)CC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7615,CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21363,O=C(O)Cc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21362,OCc1ccc(Cl)cc1Cl
0,0,,1,0,0,0,1,0,0,0,0,TOX21361,Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
0,,0,,,1,,,0,1,1,,TOX21367,N#CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX24643,C[N+](C)(C)CC1CO1
0,0,0,,,0,0,0,0,0,,,TOX29288,CCCCCCCCN1C=CN(C)C1
0,0,0,0,0,0,0,0,0,0,,0,TOX29285,CCC[N+]1(C)CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29286,CCOC(=O)C(Cl)C(C)=O
0,0,1,0,0,0,0,,0,0,1,,TOX29287,O=C1Nc2ccc([N+](=O)[O-])cc2C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29280,O=c1[nH]c2ccccc2o1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29281,CCCC[n+]1cccc(C)c1.F[B-](F)(F)F
0,0,0,0,0,0,0,0,0,0,,0,TOX29282,COC(=O)C(C)=O
0,0,,,,0,0,0,0,0,0,0,TOX1804,CCOC(=O)c1ccc(N)cc1
0,0,1,0,1,0,0,0,0,0,0,0,TOX6691,CC(=O)OCC(COC(C)=O)OC(C)=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX6694,CCCCC(CC)COC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6697,CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
0,0,0,,0,0,0,0,0,1,,0,TOX6698,C1CN(SSN2CCOCC2)CCO1
0,0,0,0,1,0,0,0,0,0,0,0,TOX5922,CC1CCC2CC1C2(C)C
0,0,0,0,0,0,0,,0,,0,0,TOX25322,CCNCC(O)c1cccc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6961,Cc1ccc(O)c([N+](=O)[O-])c1
0,0,0,0,1,0,,,0,,,0,TOX25775,Cc1cc(C)c(NC(=O)C[C@H](CC(=O)[O-])c2cccc3ccccc23)c(C(=O)N2CCC3(CCCC3)CC2)c1
0,0,,0,0,0,0,0,0,0,0,0,TOX22440,O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F
0,0,0,0,0,0,0,0,0,0,0,0,TOX6562,CC(=O)CC(=O)Nc1ccccc1C
0,0,,0,0,0,0,0,0,0,0,0,TOX26348,N[C@@H](COP(=O)(O)O)C(=O)O
,,,,,,,0,,0,,,TOX26349,C[C@H](N)[C@H](O)c1ccc(O)c(O)c1
0,0,0,0,0,,0,,0,,0,0,TOX26839,CC(C)c1ncc([N+](=O)[O-])n1C
0,0,0,0,0,0,0,,0,,0,0,TOX26832,CBr.CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,,0,,0,0,TOX26830,ClCc1ccccc1.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46
0,0,1,,1,1,0,0,0,0,,0,TOX6560,O=C(O)c1cc2ccccc2cc1O
0,0,0,0,0,0,0,,0,,0,0,TOX26836,CNC(C)C(O)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26345,NC(=O)CC[C@@H](N)C(=O)O
0,,0,,,0,,,,,1,,TOX26834,CCCCCCCCCCCCCC[n+]1ccc(C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26347,CC(C)C[C@@H](N)C(=O)O
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0,0,1,0,0,0,0,,0,1,0,0,TOX1346,NNC(N)=S
0,0,0,0,0,0,0,,0,0,0,0,TOX24884,C=CC(=O)OCC1CCCO1
0,0,0,,0,0,0,0,0,1,0,0,TOX24886,O=C1OC(=O)c2cc(-c3ccc4c(c3)C(=O)OC4=O)ccc21
0,0,0,0,0,0,0,1,0,,0,0,TOX24881,COC(=O)NCCC[Si](OC)(OC)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24880,CCCOCCOCCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX24883,CCCCS(=O)(=O)Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX24882,C=C(C)C(=O)OCCOCCOC(=O)C(=C)C
0,0,0,0,0,0,0,0,0,0,1,0,TOX24888,CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
0,0,1,0,0,0,0,0,0,0,0,0,TOX1348,NC(N)=S
0,0,0,0,0,0,0,0,0,0,0,0,TOX9110,CCC(C)(O)CCCC(C)C
0,0,1,,1,0,0,1,0,0,1,0,TOX9117,c1ccc(-c2cccc(-c3ccccc3)c2)cc1
0,0,0,,0,0,0,0,0,0,0,0,TOX4193,Cc1cc(Cl)ccc1OCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4194,Cc1cc(Cl)ccc1OC(C)C(=O)O
0,0,0,0,0,0,,0,0,0,0,0,TOX4195,Cc1cc(Cl)ccc1OCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4196,O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1123,CCC1(c2ccccc2)C(=O)N=C([O-])NC1=O
0,,1,,1,0,0,,0,1,,,TOX1120,S=C=NCCc1ccccc1
0,0,0,0,1,0,0,0,0,0,1,0,TOX1126,c1ccc2c(c1)Nc1ccccc1S2
0,0,0,0,0,0,0,0,0,0,0,0,TOX1124,Oc1ccccc1
0,0,1,0,1,1,,1,0,0,1,0,TOX1125,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX5706,COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1128,CN(C)N=Nc1ccccc1
0,0,,0,0,0,0,1,0,,1,0,TOX1129,S=C=Nc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7188,CC(=O)OC(C)OC(C)=O
0,0,0,,,0,,1,0,0,,,TOX13539,C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,,1,0,,1,0,1,0,1,TOX13538,C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7181,CC(C)Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7186,CCOC(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX7184,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7185,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1
0,0,,,,0,0,0,0,0,1,0,TOX3878,c1ccc2cc3ccccc3cc2c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX24267,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
0,0,0,0,0,0,,,0,0,0,0,TOX24266,CNCC[C@@H](Oc1ccccc1C)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3870,Nc1ccncc1
0,0,1,,0,0,0,0,0,0,1,0,TOX3871,Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3875,NS(=O)(=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX307,COCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2690,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
0,0,0,,,0,0,,1,,,0,TOX2692,Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX2699,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
0,0,0,0,0,,0,,0,0,0,0,TOX303,C[N+](C)(C)CCCl
0,0,0,0,0,0,0,0,0,0,,0,TOX28168,CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2)cc1
0,0,0,,,0,0,0,0,0,0,0,TOX28169,CCCCCCC(=O)c1ccccc1
0,0,0,,0,0,,0,0,0,0,0,TOX28162,CCC(C)(C)C1CCC(OC)CC1
0,0,0,0,0,0,0,0,0,,0,0,TOX28163,Cc1ccc(S)cc1
0,0,0,,,0,,1,0,,1,,TOX28160,O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
0,0,1,,,0,0,,0,,,,TOX28166,CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
0,0,,0,0,0,0,0,0,0,0,0,TOX28167,CCCCc1ccc(Cl)cc1
0,,0,,,,,,0,,1,1,TOX28164,CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
0,0,1,0,0,0,0,,0,0,1,0,TOX28165,COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@@H]12
,,,,,,,0,,0,,,TOX17197,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
0,0,,0,0,0,0,0,0,0,,0,TOX6366,ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6368,O=C(O)c1ccccc1O
0,0,0,,0,0,0,0,0,0,0,0,TOX17511,CCOP(=S)(OCC)SCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX5310,CCNS(=O)(=O)c1ccc(C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5312,CCN1CCOCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX5315,CCN(Cc1ccccc1)c1ccccc1
1,1,0,,0,0,0,1,0,0,0,0,TOX2474,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX2479,CCc1ccccc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX5318,C=CC(=O)CC
1,0,0,0,0,0,0,,0,,0,0,TOX3258,CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3255,COc1ccccc1OCC1CNC(=O)O1
0,0,0,0,0,0,0,0,0,,,0,TOX12667,CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
0,0,0,0,0,0,,0,0,0,,0,TOX28838,CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C
1,1,0,,1,1,0,,0,0,0,0,TOX16515,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
0,0,0,,,0,,,,,1,,TOX12005,CC1=C(/C=C/C(C)=C/C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
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,,,,,,,0,,0,,,TOX21056,N=C(N)NCCC[C@H](N)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29340,CCN1C=CN(C)C1C
0,0,0,0,1,0,0,0,0,0,0,0,TOX29343,CCCC[N+]1(C)CCCCC1.O=S(=O)([O-])C(F)(F)F
0,0,1,0,0,0,0,,0,0,,0,TOX26137,Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCCN(C)C)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX26640,C[C@@H](CSC(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
0,0,0,0,0,0,0,,0,,0,0,TOX26643,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1
0,0,0,,,0,1,,,1,1,1,TOX26134,CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29349,CCC[N+]1(C)CCCC1.O=S(=O)([O-])C(F)(F)F
0,0,0,0,0,0,0,,0,,1,0,TOX26138,CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O
0,,0,0,0,0,,1,0,1,1,,TOX26648,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O
0,1,0,,0,1,1,1,1,0,0,1,TOX4209,COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
0,,0,1,,,,,,1,1,,TOX20990,N#CC(C#N)=NNc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4206,CCSC(=O)N1CCCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX584,CCO
0,0,0,,0,0,0,,0,0,,0,TOX27341,CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1
0,0,0,0,0,0,0,0,0,,,0,TOX27346,N#C[C@@H]1CC(F)(F)CN1C(=O)CNC1CC2CCC(C1)N2c1ncccn1
0,0,0,0,0,0,,0,0,0,0,0,TOX24598,CC(C)(CO)C(O)C(=O)NCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7407,CCOP(=O)(Cl)Cl
0,,0,,,,1,1,0,,1,,TOX7403,CCCC[Sn](Cl)(CCCC)CCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7402,COC(=O)c1cccc(C(=O)OC)c1
0,0,0,0,0,0,0,,0,,0,0,TOX26212,CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,0,0,0,0,0,0,0,0,1,0,TOX11290,CC(=O)C1(C)CC2=C(CCCC2(C)C)CC1C
0,,0,0,0,0,0,,0,0,1,0,TOX26740,O=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21
,,,,,,,0,,0,,,TOX31438,Cc1cc(CCCOc2c(C)cc(-c3noc(C(F)(F)F)n3)cc2C)on1
,,,,,,,0,,0,,,TOX31439,CC(C(=O)c1ccccc1)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27510,CCCC(=O)OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27511,CCCCCCCCCCCCCCCC(=O)OCC
,,,,,,,0,,0,,,TOX31432,CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1
,,,,,,,1,,0,,,TOX31433,Cc1oc(-c2ccccc2)nc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1
0,0,0,0,,0,0,1,0,0,,,TOX26743,O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2ccc(F)cc2)CC1
,,,,,,,0,,0,,,TOX31436,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
,,,,,,,0,,0,,,TOX31437,CC(C)C(=O)OCc1cccc(OC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)c1
0,0,0,0,1,,0,0,0,0,,0,TOX27518,c1ccc([C@H]2CN3CCSC3=N2)cc1
1,0,0,,0,0,0,0,0,0,0,0,TOX27519,CCCCCCOC(=O)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5557,COC(C)(C)CC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX8033,CC(C)CCCCCCOC(=O)c1ccc(C(=O)OCCCCCCC(C)C)c(C(=O)OCCCCCCC(C)C)c1
0,0,0,,0,0,0,0,0,0,0,0,TOX5551,COc1ccccc1/C=C/C=O
0,0,0,0,0,0,0,0,0,0,,0,TOX8030,CC1(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
0,0,,0,0,0,0,0,0,0,0,0,TOX21646,CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1/N=N/c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21641,Cc1ccc(C)c(S(=O)(=O)O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21643,O=Cc1ccccc1S(=O)(=O)[O-]
,,,,,,,0,,0,,,TOX27778,NCCCC(O)(P(=O)([O-])O)P(=O)(O)O
0,0,0,0,0,0,0,,0,,0,0,TOX27779,COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314
0,0,0,0,0,0,0,0,0,0,,0,TOX27770,CN(C)CCOc1ccccc1Cc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
1,0,,,0,,0,,0,,0,1,TOX27776,Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCCNC(=N)N)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1
0,1,,1,,1,,1,1,0,1,1,TOX27775,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
0,0,0,0,0,0,0,,0,0,,0,TOX14150,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX6115,c1ccc2c(c1)CCNC2
0,0,0,0,0,0,0,0,0,0,0,0,TOX6118,c1ccc2c(c1)CCCC2
0,0,0,,0,0,0,0,0,0,,0,TOX6119,Cc1cc(C)c(C)c(C)c1
0,0,1,0,0,0,0,0,0,0,0,0,TOX9329,COC(C)COC(C)COC(C)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX5122,COC(=O)CCCC(=O)OC
0,0,1,0,0,0,0,0,0,0,1,0,TOX9320,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9325,CCCCCC1C(=O)CCC1CC(=O)OC
0,0,,0,0,0,0,1,0,0,0,0,TOX9327,C=CCOc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC=C)c(Br)c2)cc1Br
0,0,0,0,0,0,0,,0,0,,0,TOX21918,OCCOCC#CCOCCO
0,0,0,0,0,0,0,0,0,0,,0,TOX21914,NCCOCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX21916,CCCCOC(=O)C(=O)OCCCC
0,0,1,1,0,0,0,0,0,0,,0,TOX21913,CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
0,0,0,,0,0,,0,0,0,0,,TOX25616,Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
0,0,0,0,,0,,,,0,,0,TOX25614,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX24384,CC(C)[C@@H]1CC[C@@H](C)CC1=O
0,0,1,0,0,0,0,0,0,0,0,0,TOX25611,COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2cc3c(cc2CCN1C)OCO3
0,0,,,0,0,1,0,0,0,0,0,TOX14528,CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(Cl)cccc3Cl)nn12
0,0,0,,0,0,,1,0,0,,0,TOX20208,CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc([O-])c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24382,Cc1ncsc1CCO
0,0,0,0,0,0,0,0,0,1,0,0,TOX24383,c1ccc(Sc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1590,CCCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX28394,CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX6653,O=C(Cl)c1ccc(C(=O)Cl)cc1
,,,,,,,,,1,,,TOX25922,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25927,CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX24388,CC1(C)CC(N)CC(C)(C)N1
0,0,0,0,,0,0,,0,,0,0,TOX28608,CC(O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
0,0,1,0,,0,0,0,0,0,,0,TOX24690,Cc1cccc(OCCOc2cccc(C)c2)c1
0,0,1,,1,0,0,1,1,1,,0,TOX24691,CC(C)c1ccc2sc3ccccc3c(=O)c2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24696,O=C(CCN1CC1)OCC(CO)(COC(=O)CCN1CC1)COC(=O)CCN1CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24697,C#CC(O)C(CC)CCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX1665,CCCCCCCCCCCCCC=O
0,,0,,,1,1,1,1,1,,,TOX1667,O=CC(Br)(Br)Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX1660,ClC1=C(Cl)C1(Cl)Cl
,0,1,,1,1,0,1,1,0,1,0,TOX2311,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1
0,0,0,,1,0,0,,0,,1,0,TOX2312,CCCCCCCCc1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1937,CCCCCCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX1936,N#CCCCCC#N
0,0,0,0,,0,0,0,0,0,0,0,TOX1931,CCCCCCO
0,0,0,0,0,0,0,0,0,1,,0,TOX1930,CCCCCCN
0,0,0,0,0,0,0,0,0,0,0,0,TOX1932,OCCNCCO
0,0,0,0,1,0,0,0,0,0,0,0,TOX7798,C=C(C)CNCC
0,,,,,1,,,1,,,1,TOX7795,N#Cc1nc(Cl)c(Cl)c(Cl)c1Cl
0,,0,,0,0,,0,0,1,1,,TOX7793,O=C1c2ccccc2C(=O)N1SC1CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7792,CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7790,O=C1c2ccccc2C(=O)N1CCl
0,0,0,,,0,,0,0,0,,1,TOX24528,O=C1Nc2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX24526,CCOc1ccc(NC(=O)CC(C)=O)cc1
0,0,,,0,0,0,0,1,0,0,1,TOX24527,O=C(CS)OCCOC(=O)CS
0,1,,,,1,1,,,1,,1,TOX24525,CC(O)C(=O)O[Hg]c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24522,CCN(CC)C(=O)N(CC)CC
0,0,,0,0,0,0,0,0,0,0,0,TOX24523,Cc1ccc(N)cc1S(=O)(=O)O
0,,,0,,,,,1,0,,,TOX12278,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21349,COC(=O)COc1ccc(Cl)cc1Cl
0,1,0,,,0,,,1,,,1,TOX278,O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1
1,1,0,,,0,0,1,0,0,,1,TOX274,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
0,0,,1,0,0,0,1,0,0,0,0,TOX275,Nc1ccc(Oc2ccc(Cl)cc2)cc1
0,0,1,,0,0,0,,0,1,1,,TOX29118,Cc1cc(O)ccc1N
0,,1,,1,,,,0,,,,TOX29116,Nc1ccc2c3c(cccc13)-c1ccccc1-2
0,,,1,,,,1,0,,1,,TOX29110,CCCCCCCCCCCCCCCCn1cc[n+](C)c1.F[B-](F)(F)F
0,0,0,0,1,0,0,0,0,0,0,0,TOX29111,CCCCCCCCCCl
1,0,1,,0,0,0,,0,0,,0,TOX29112,N#Cc1cc2ccccc2c2ccccc12
0,,,,,,1,,0,1,1,,TOX12498,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,,0,TOX12497,O=C(O)COc1nc(Cl)c(Cl)cc1Cl
0,0,1,,1,1,0,1,1,0,1,1,TOX1118,Nc1ccc(N=Nc2ccccc2)c(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5494,CCCCCCCCCCCCOCC1CO1
0,0,0,0,1,0,0,0,0,1,0,0,TOX5492,CCCCCCCCCCCCCl
0,0,0,0,0,0,0,,0,,0,0,TOX5491,CCCCCCCCCCCC(=O)N(CCO)CCO
0,0,0,0,1,1,0,1,0,0,0,0,TOX26589,C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)[O-])c(CCC(=O)[O-])c4C)c(C)c3C=C
0,0,,,1,0,0,0,1,0,0,0,TOX26580,CC(C)CCOC(=O)c1ccc(N(C)C)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26586,Oc1cc(O)cc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26584,O=c1[nH]c(=O)c2ccccc2o1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26585,O=C(O)c1ccc(OCCCOc2ccc(C(=O)O)cc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX6946,C=CC(C)(CCC=C(C)C)OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6943,OCC(CO)(CO)CO
0,0,0,0,,0,0,0,0,0,0,0,TOX28658,O=C(O)C(=O)Nc1cccc(-c2nnn[nH]2)c1
0,,,,,,,,,,1,,TOX1114,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1
,,,0,,0,0,,0,0,0,0,TOX14091,CCCCC(=O)Cl
0,0,,,,0,,,,0,,1,TOX28659,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
0,0,0,0,0,0,0,,0,0,0,0,TOX29808,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C
0,0,0,0,0,0,0,,0,0,0,0,TOX29805,O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1C[C@@](OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@@H]1O
0,,,1,,,,,0,,1,1,TOX26363,CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](OC)[C@@H](C)O5)[C@@H](OC(=O)O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]2C[C@@H](O[C@H]3C[C@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](O)[C@@H](C)O2)[C@H](O)[C@@H](C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26360,CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O
0,0,0,,,0,,,0,,0,1,TOX26361,CCC1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@]2(C)OC2C1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27185,CC(C)CCOC(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,1,0,TOX27184,Cc1cc(C)c(C)c(O)c1
0,0,0,0,,1,0,0,0,0,0,0,TOX27187,CCC(=O)OCCC(C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27186,CC(C)COC(=O)c1ccccc1O
0,0,0,0,0,0,0,0,0,1,0,0,TOX27180,CC(C)CCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(C(=O)OCCCCCCCC(C)C)c1
0,0,0,,,0,0,,0,,0,0,TOX27183,CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX27182,CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX27189,CCCCCCCCCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX27188,CC(=O)OCCC1CCCCC1
0,0,0,1,,,,1,,0,,,TOX1320,COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl
0,1,1,,,0,1,,1,1,1,0,TOX1322,CCN(CC)C(=S)SSC(=S)N(CC)CC
0,0,1,1,,0,0,,0,,1,,TOX1327,CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
0,0,0,0,0,0,0,0,0,0,0,0,TOX25229,CN1C(C)(C)CCCC1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6625,CC1=CCC(C(C)(C)O)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX9136,CCN(Cc1cccc(S(=O)(=O)O)c1)c1ccccc1
0,,,,,1,1,1,,1,1,,TOX22500,F[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
0,0,0,,0,0,,,0,0,0,0,TOX24251,CCOc1ccc(O)cc1
0,0,0,,0,0,0,1,0,,,0,TOX17541,O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
0,0,,0,0,0,0,0,0,0,,0,TOX17545,CCSCc1ccccc1OC(=O)NC
0,0,1,0,0,0,0,1,0,0,0,0,TOX1498,Brc1nc2ccccc2s1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1499,CCC(C)Br
0,0,0,0,0,0,0,0,0,0,0,0,TOX1492,N#CCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13098,O=C(O)c1ccc(CO)o1
0,0,0,0,,0,0,0,0,0,0,0,TOX1491,N#Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1496,N#CCBr
0,0,0,0,0,0,0,,0,0,0,0,TOX1495,O=C(O)CBr
0,0,0,0,0,0,0,,0,,0,0,TOX28285,CN1CC(O)C2=C/C(=N/NC(N)=O)C(=O)C=C21
0,0,0,0,0,0,,,0,,0,0,TOX28988,Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX13511,O=S(=O)(O)F
1,1,0,,1,,0,,0,0,0,0,TOX13512,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,,0,0,,0,0,,0,,0,0,TOX28980,N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1
0,0,0,0,0,0,0,,0,,0,0,TOX28983,CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2
0,0,0,0,0,0,0,1,0,0,0,0,TOX13519,O=C(Cl)/C=C/C(=O)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX28985,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O
0,0,0,,0,0,,0,0,0,,0,TOX28986,COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
0,0,1,,,0,0,0,0,0,,0,TOX24207,O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I
1,0,1,,,0,0,1,0,0,0,0,TOX24205,COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C
0,,,,,,,,,0,,,TOX24204,COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
0,0,0,0,,0,1,1,0,0,1,0,TOX24203,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24202,CCCCCCCCOC(C)=O
0,0,0,0,1,0,,,0,0,,0,TOX24201,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
0,0,0,0,0,0,,1,0,0,1,0,TOX2678,C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2676,CC(C[N+](C)(C)C)OC(N)=O
1,1,,,0,0,,,0,,1,0,TOX2671,CCCC(=O)O[C@]1(C(=O)COC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,,,0,0,0,0,0,0,TOX20343,O=C(CBr)OCc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28181,CCCCCc1ccc(Cl)cc1
,0,0,0,0,0,0,0,0,0,0,0,TOX28182,O=P(O)(Oc1ccccc1)Oc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28183,COC(=O)c1ccccc1C
0,0,,0,1,,0,0,0,0,0,0,TOX28184,CC(C)(C)C(=O)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28185,O=C(Oc1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28186,CCOC(=O)c1ccc(C)cc1
0,0,,1,0,0,,,0,0,,0,TOX9868,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
0,0,1,,1,1,0,0,0,0,1,0,TOX6303,Cc1cc(C2(c3cc(C)c(O)cc3C)OS(=O)(=O)c3ccccc32)c(C)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6302,Cc1ccc(S(=O)(=O)[O-])cc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX6307,Cc1cccc(C)c1N
0,0,,0,1,0,0,0,0,0,,0,TOX6306,Cc1ccc(C)c(N)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX6304,Cc1cccc(N)c1C
,,,,,,,0,,0,,,TOX26550,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O
0,0,,,,,0,,0,0,,0,TOX2413,CC=Cc1ccc(O)c(OC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5371,FC(F)(F)C(Cl)Br
0,0,0,0,,0,0,1,0,0,0,0,TOX5370,O=C(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1
0,0,1,0,1,0,,0,1,0,0,0,TOX2417,CCCCOC(=O)c1ccc(N)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX2415,Cc1ccc2c(C)cccc2c1
,,,,,,,0,,0,,,TOX3239,CCC(C)C(C)(COC(N)=O)COC(N)=O
0,0,1,0,1,1,0,,0,0,1,0,TOX3231,CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3235,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,,0,TOX25558,CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX25559,CCNCC.O=S(=O)(O)c1cc(O)ccc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX12645,Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F
0,0,0,1,1,1,,1,0,0,1,0,TOX12390,OC(c1ccc(Cl)cc1)(c1cncnc1)c1ccccc1Cl
0,0,,,1,0,0,1,0,0,0,0,TOX12392,CCOC(=O)C(C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
0,0,0,,,,0,1,0,0,,0,TOX12393,CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX25550,COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O
0,0,1,1,0,1,0,,0,0,,1,TOX12398,N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2
1,0,0,,0,0,0,0,0,0,0,0,TOX25555,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,1,0,0,0,0,TOX25556,CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,,0,,,0,TOX25557,CN1[C@H]2CC[C@@H]1C[C@H](OC1c3ccccc3CCc3ccccc31)C2.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6997,COc1ccc(C=O)cc1
0,0,1,0,1,0,,0,0,0,1,0,TOX14776,COP(=S)(OC)Oc1c(Cl)cc(C)cc1Cl
0,0,0,,0,0,0,0,0,0,0,0,TOX12544,CCCOC(=O)c1ccc(C(=O)OCCC)nc1
0,0,0,0,1,0,0,1,0,0,0,0,TOX6773,CC(O)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX6775,O=C(O)CCS
0,0,0,0,0,0,0,0,0,0,0,0,TOX29327,CCCC[n+]1ccc(C)cc1.O=S(=O)([O-])C(F)(F)F
0,0,0,0,,0,0,0,0,,0,0,TOX29326,CCC[N+]1(C)CCCCC1.F[B-](F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29324,CC(=O)C1CCCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29321,CCCCN1C=CN(C)C1
0,0,0,0,1,1,0,1,0,0,1,0,TOX12549,CC1(C(=O)Nc2ccc(O)c(Cl)c2Cl)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29329,CCC[N+]1(C)CCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX29328,CCCC[N+]1(C)CCCCC1.F[B-](F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX4222,N=C(N)N[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX4955,CC(C)(C)OOC(C)(C)C
0,,,,,,,,,1,1,,TOX4956,CCC(C)Nc1ccc(NC(C)CC)cc1
0,0,,0,0,0,0,0,0,0,,0,TOX4952,CCCCNCCCC
0,0,,0,0,0,0,0,0,0,0,0,TOX23892,O=C(O)c1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
0,0,,,,0,,,,,,1,TOX23897,CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2
0,,,0,0,0,0,,,,,0,TOX23895,Oc1ccc2[nH]cc(CCCCN3CC=C(c4ccccc4)CC3)c2c1
0,0,0,0,,0,0,,0,,1,0,TOX28566,C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24664,CCOC(=O)NNc1nncc2ccccc12
0,0,0,0,0,0,0,0,0,0,,0,TOX24667,CC(C)(C)NCCNC(C)(C)C
0,0,0,,0,,0,,0,,,0,TOX28565,CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
0,0,0,0,0,0,0,0,0,0,,0,TOX28562,CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,1,0,TOX7429,OC1CCCCCCCCCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28561,CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7425,COC(=O)c1ccc(C(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7427,CN(C)CCOCCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX26119,CC(C)[N+](C)(C)CC(O)COc1cccc2ccccc12
0,0,,0,0,0,0,,0,,0,0,TOX26118,Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)Cc2ccccc2)cc1
0,0,1,0,0,0,0,1,0,,0,0,TOX26113,CC=CC=NNC(=O)c1ccncc1
0,0,1,1,,0,,,0,,,1,TOX26112,O=C1C(=O)c2ncccc2-c2cccnc21
0,0,0,0,0,0,0,,0,,0,0,TOX26115,CC12CCC(C[N+](C)(CCC[N+](C)(C)C)C1)C2(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
1,,1,,1,0,1,,1,0,1,1,TOX26114,Nc1ccc(C(=O)Nc2ccccc2N)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26116,O=C(O)C=CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX27578,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI
0,0,0,0,0,0,0,0,0,0,0,0,TOX27579,CC/C=C\CCOC(=O)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX493,CO[PH](=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27576,CN1C(=O)CC[C@H]1c1cccnc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27570,C[C@H]1C[C@@H](O)CC(C)(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7282,ClP(Cl)c1ccccc1
0,0,0,0,0,0,0,0,0,0,,0,TOX7284,C1COCO1
0,0,,0,0,0,0,0,0,0,0,0,TOX5571,Cc1c(O)cccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21668,c1ccc(CCc2ccccc2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5572,COC(=O)c1ccccc1
0,1,0,,,1,1,,1,,,,TOX8015,C=CC(=O)OCC(C)OCC(C)OCC(C)OC(=O)C=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5574,Cc1ccc(CO)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5577,C/C=C(/C)C#N
0,0,0,0,0,0,0,1,0,0,0,0,TOX8016,C=CC(=O)OCC[N+](C)(C)C
0,0,0,0,1,0,0,1,0,0,0,0,TOX21663,O=C(C=Cc1ccccc1)OCc1ccccc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX21661,N#Cc1ccccc1O
0,0,0,0,0,0,0,0,0,0,,0,TOX27790,CC(N)C12CC3CC(CC(C3)C1)C2
0,0,0,0,0,0,0,0,0,0,,0,TOX27792,CC(C)(N)Cc1ccc(Cl)cc1
,,,,,,,1,,0,,,TOX27794,COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX27795,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1
0,,,,1,,,,,0,,,TOX27796,O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1
0,,0,0,1,0,0,,0,,0,0,TOX27797,O=C(O)CCC(=O)O.c1ccc(C2(c3ccccc3)CC2C2=NCCN2)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27799,CC1NCCOC1c1ccccc1
,,,,,,,0,,0,,,TOX31498,CCCc1ncc(C(=O)O)s1
,,,,,,,0,,0,,,TOX31499,O=C(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
0,0,0,0,0,0,0,0,0,0,0,0,TOX6171,Cc1cccc2[nH]nnc12
0,0,0,1,0,0,0,1,0,0,0,0,TOX9300,CCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OCCO)[C@H]1OCCO
0,0,,0,0,0,0,,0,,0,0,TOX6173,CS(=O)(=O)OCC(O)C(O)COS(C)(=O)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX6175,C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX5141,O=C(NCO)NCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX5143,Cc1cccc(O)c1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX5145,Cc1ccc(C)c(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX5148,Cc1cc(C)cc(O)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28964,Nc1cc(=O)nc(N)[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX28965,Nc1c[n+](N2CCOCC2)no1
0,0,0,0,0,0,0,0,0,0,0,0,TOX10060,CC(C)(Cl)Cl
0,0,0,0,0,0,,1,0,0,,,TOX25635,CN1CCCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
0,0,0,0,,0,0,,0,,0,0,TOX25637,Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N
0,0,0,0,1,1,0,,0,,0,0,TOX28969,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1
0,,1,1,0,,0,,0,1,0,,TOX25631,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1
1,1,0,,0,,0,0,0,0,0,0,TOX25633,CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,0,0,,0,0,0,0,0,0,0,TOX25632,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1
0,0,0,0,0,0,0,,0,,0,0,TOX25639,O=C(O)c1ccc(OCCn2ccnc2)cc1
0,,0,,,,0,,,1,,,TOX25638,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1
0,0,,0,,0,0,0,0,0,0,0,TOX20222,COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ncccc2OCC(F)(F)F)n1
0,0,0,,0,0,0,0,0,0,0,0,TOX14549,CN/C(=N/[N+](=O)[O-])NCC1CCOC1
0,0,,0,0,0,0,0,0,0,0,0,TOX14540,CC1(C)OC[C@@H]2O[C@@]3(C(=O)[O-])OC(C)(C)O[C@H]3[C@@H]2O1
0,0,0,0,0,0,0,,0,0,0,0,TOX4764,O=Cc1ccccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4761,Nc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2084,CCOc1ccc(N)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,,0,TOX25945,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
0,0,1,1,0,0,0,,0,1,0,,TOX25943,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
0,0,0,0,0,0,0,,0,0,,0,TOX25942,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25940,CCCc1cc(C(N)=S)ccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX2089,CC(=O)Nc1cccc(O)c1
0,0,,0,0,0,0,,0,0,0,0,TOX25948,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN
0,0,0,0,0,0,0,0,0,0,0,0,TOX7228,C=CCCC#N
0,0,0,0,,0,0,0,0,0,,0,TOX7227,C=CC/C=C/C
0,0,0,0,1,0,0,0,0,0,0,0,TOX7222,CC1=CCC(=C(C)C)CC1
0,0,0,,,0,,,0,,,,TOX3425,Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3427,NC1=NC(=O)C(c2ccccc2)O1
0,0,0,0,0,0,0,,0,0,0,0,TOX3426,CCC(=O)c1ccc(O)cc1
1,1,,,0,0,0,,0,,0,0,TOX3422,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
0,0,,,0,0,0,0,0,0,0,0,TOX1689,CCCCCCCCCCC
0,0,0,0,1,0,0,0,0,0,0,0,TOX1688,CCCCCCCCCCC=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1685,CC1=CC(=O)CC(C)(C)C1=O
0,0,0,0,,0,0,,0,0,0,0,TOX1684,CCCCCCCCCCCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1683,O=C(O)CCCCCCCCCCCC(=O)O
0,1,,,1,1,1,1,0,,,1,TOX1680,O=C(CCl)C(Cl)Cl
0,0,0,0,,0,0,0,0,0,1,0,TOX2332,CCC(C)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7364,CCCCCCCC(=O)N(C)C
0,0,0,0,0,0,0,0,0,0,1,0,TOX2331,CCC(C)c1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX13701,CN(C)CCCCCCN(C)C
0,,0,0,1,1,,1,0,0,0,0,TOX782,O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12
0,0,1,0,0,0,0,0,0,0,0,0,TOX24545,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
0,0,0,0,0,0,0,0,0,0,,0,TOX24547,CCCCCCCC1CCCC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24541,CC1=CC(C)C(C=O)C(C)C1
0,0,0,0,0,0,0,,0,,0,0,TOX3680,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
0,,,0,0,0,,,0,0,1,0,TOX3685,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1
0,,,,,1,,1,1,1,,,TOX24549,N#C[Au-]C#N
0,,0,0,0,0,0,0,0,0,1,0,TOX3687,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
0,0,0,1,,,0,1,0,0,1,,TOX27892,CCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
0,0,0,1,0,0,0,,0,1,,,TOX25490,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX25493,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX1976,OCCOc1ccccc1
0,0,,0,0,0,0,,0,,,0,TOX25494,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
0,0,,,0,0,0,1,0,1,,0,TOX25497,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX25496,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX256,C=C(C)[C@H]1CC=C(C)C(=O)C1
0,0,1,,0,1,0,1,0,0,0,0,TOX257,Oc1ccccc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX250,ClC(Cl)(Cl)Cl
0,,,0,,0,,1,,0,1,0,TOX523,O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX252,CCC(Br)(CC)C(=O)NC(N)=O
0,0,0,0,0,0,0,,0,,0,0,TOX253,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C)C(C)(C)CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX528,Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX529,Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX2785,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21329,CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21327,O=C(O)c1cccnc1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21321,CC(O)C(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX29132,CCCC[N+]1(C)CCCC1.F[B-](F)(F)F
0,0,0,0,0,0,0,0,0,0,0,0,TOX29130,CCOS(=O)(=O)[O-].CCn1cc[n+](C)c1
0,0,0,0,0,0,0,,0,0,0,0,TOX29131,CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F
0,0,0,0,0,0,0,0,0,0,,0,TOX29136,CCCCCCCCCCCCCCCCCBr
0,0,0,0,0,0,0,0,0,0,0,0,TOX29134,O=[N+]([O-])c1ccc(F)c(Cl)c1
0,0,1,0,0,0,0,0,0,0,1,0,TOX21494,O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1
0,0,0,0,1,0,0,0,0,0,0,0,TOX21491,OCC=Cc1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21490,C/C=C(\C)C(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21492,CCCC(CC)c1ccccc1
,,,,,,,,,0,,,TOX26158,Cc1cc(CC(=O)O)c(C)n1-c1ccc(Cl)cc1
,,,,,,,0,,0,,,TOX26132,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)([O-])O
0,,0,,1,1,,,0,0,,1,TOX27949,Cc1cc(C(C)(C)c2cc(C)c(O)c(C)c2)cc(C)c1O
0,0,0,0,,0,1,0,0,0,0,0,TOX26131,O=C(O)C(Cc1cc(I)c(O)c(I)c1)c1ccccc1
,,0,0,,0,0,0,0,0,0,0,TOX5967,CC(O)COC(C)(C)C
,,,0,,0,0,0,0,0,0,0,TOX5969,C1COC1
0,0,0,0,0,0,0,0,0,,0,0,TOX11626,CC(=O)/C=C/c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26560,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
,,,,,,,0,,0,,,TOX26563,c1ccc(CNCCNCc2ccccc2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26564,CCCc1ccc(C(=O)O)cc1
0,0,,0,0,0,1,0,0,0,0,0,TOX26565,O=C(O)c1ccccc1-c1ccc(C(F)(F)F)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26566,C=CCCCCCCCCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX26567,CC(=O)Oc1ccc(C)cc1
0,0,0,0,0,0,,,0,,0,0,TOX26568,O=C([O-])c1nc(O)nc(O)n1
0,0,0,0,,0,0,0,0,0,0,0,TOX26569,[O-][n+]1cccc(CO)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX3193,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX26130,CNc1c2c(nn1C)CCCC2
0,0,,0,0,0,0,0,0,0,,0,TOX3195,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21540,O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1
0,0,0,,0,0,,1,0,1,,0,TOX3848,CCOCN(C(=O)CCl)c1c(C)cccc1CC
,,0,,,0,1,,,,1,1,TOX3197,CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](OC4CC[C@@]5(C)C(CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)[C@@H](O)C[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
0,0,,0,0,0,,0,0,0,,0,TOX26305,COc1cc2c(cc1OC)C(C(C(=O)N(CCc1ccc(OC)c(OC)c1OC)CCc1ccc(OC)c(OC)c1OC)c1ccccc1)=NCC2
0,0,1,0,0,0,0,,0,,0,0,TOX26306,COC(=O)C(CN)c1c[nH]c2ccc(OC)cc12
0,1,1,,0,,1,1,1,1,,1,TOX26307,CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
0,0,,0,,0,0,0,0,0,0,0,TOX26300,Cc1cccc(C)c1NC(=O)c1ccccc1C(=O)O
0,1,,,,1,,,1,,,1,TOX26308,OB(O)O[Hg]c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27680,CC(=O)c1sc(C)nc1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27681,CCC(=O)C(=O)CC
0,,0,0,0,0,,,0,,0,,TOX28567,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C
0,0,0,0,1,0,0,,0,,,0,TOX25824,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O
0,0,0,0,1,0,0,0,0,0,0,0,TOX25825,CN[C@@H](C)[C@H](O)c1ccccc1
0,0,1,0,0,0,,1,0,0,1,0,TOX4159,CCC(C)(CC)c1cc(NC(=O)c2c(OC)cccc2OC)on1
0,0,0,1,,1,0,,0,,,,TOX1301,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1307,ClC=CCCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX1305,O=c1[nH]c(=O)n(C2CCCO2)cc1F
0,0,,0,1,1,0,0,0,0,,0,TOX7633,CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
0,0,0,0,1,1,0,0,0,0,0,0,TOX7635,CC(C)C(=O)OCC(C)(C)C(OC(=O)C(C)C)C(C)C
0,0,0,0,0,0,0,0,0,0,,0,TOX681,CCCCCCCN
0,0,1,0,0,0,0,1,0,0,,0,TOX4487,Cc1cccc2sc(N)nc12
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0,0,1,,1,0,0,0,0,0,0,0,TOX4485,COc1ccc2nc(N)sc2c1
0,0,1,,1,0,0,,1,0,,0,TOX4481,CCOc1ccc2nc(N)sc2c1
0,0,0,0,1,1,0,0,0,0,0,0,TOX687,ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl
0,0,1,,,0,1,1,1,0,,0,TOX4488,Cc1ccc(O)c(N)c1
0,0,1,0,0,0,0,1,0,0,,0,TOX4489,Cc1ccc(N)cc1O
0,0,0,0,1,,0,0,0,0,0,0,TOX685,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
0,0,,,0,0,0,,0,0,1,0,TOX684,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX21861,CCOP(O)OCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX24953,OCCc1ccncc1
0,0,0,0,,0,0,0,0,0,0,0,TOX24951,C=C(C)C(=O)OCCOP(=O)(O)O
0,0,1,0,0,0,,,0,0,1,1,TOX24950,O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O
0,0,,0,0,0,0,,0,0,1,0,TOX24223,O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
0,0,0,0,,,0,,0,0,0,0,TOX6098,O=[N+]([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX6091,FC(Cl)(Cl)C(F)(Cl)Cl
0,1,0,,0,0,0,1,1,,,,TOX6097,O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2658,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O
0,0,0,,0,1,0,0,0,0,1,0,TOX5689,COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]
0,0,0,0,0,0,0,0,0,0,0,0,TOX5688,C1COCCN1
0,0,0,0,0,0,1,0,0,0,0,0,TOX5680,CCCCC(CC)COC(=O)c1ccccc1C(=O)O
0,0,0,0,0,0,0,,0,0,1,0,TOX2655,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1
,,,,,,,0,,0,,,TOX2657,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
0,0,0,0,1,0,0,0,0,0,0,0,TOX6325,COc1ccc(NC(C)=O)cc1
0,0,1,,,0,,0,0,0,,0,TOX25798,O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O
0,0,0,,0,0,0,0,0,0,,0,TOX25792,CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
0,0,,,0,0,,,0,,,,TOX25791,CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX25796,CCCN1CCC[C@@H](c2cccc(O)c2)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX25794,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX25795,C[C@@H]1C(=O)N=C2Nc3cccc(Cl)c3CN21
0,0,0,,0,0,1,0,1,0,0,1,TOX5355,O=CCCCC=O
0,0,,0,,1,,0,0,1,1,,TOX2437,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
0,0,0,0,0,0,0,1,0,0,0,0,TOX21126,N#C[Fe-2](C#N)(C#N)(C#N)(C#N)N=O
0,0,1,,0,0,0,1,,0,0,0,TOX2432,c1ccc2c(c1)ccc1c3ccccc3ccc21
0,0,,0,0,0,0,0,0,0,0,0,TOX2439,O=C(O)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1
1,0,0,0,0,0,0,0,0,,0,0,TOX14286,Cn1sc(Cl)cc1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX14287,CCCCCCCC1CCC(=O)O1
0,,,1,,,,1,,,1,,TOX29155,CCCCCCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
0,0,,0,0,0,0,0,0,0,,0,TOX12628,COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
0,0,0,0,,0,0,0,0,0,0,0,TOX12624,C#CCOC(=O)/C=C(C)/C=C/CC(C)CCCC(C)C
0,0,1,0,0,0,,1,0,0,1,0,TOX12627,COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX12622,Cc1cc(=O)[nH]o1
0,,0,0,0,0,0,0,0,0,0,0,TOX12623,O=C(O)CCCc1c[nH]c2ccccc12
0,0,,0,0,0,0,0,0,0,,0,TOX25578,O=C(O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21
0,0,0,0,0,0,0,,0,0,0,0,TOX25574,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1
,,,,,,,0,,0,,,TOX25575,Cc1ccsc1/C=C/C1=NCCCN1C
0,0,0,0,0,0,0,1,0,0,0,0,TOX25572,CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C
0,0,,0,0,0,0,1,0,0,0,0,TOX25570,CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12
0,0,,1,,1,,,0,,1,,TOX18666,CCOP(=O)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
0,,,1,,,,0,,1,1,,TOX18888,CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(N(CC)CC)cc2)c2ccccc12
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0,0,0,0,0,0,0,0,0,0,0,0,TOX16288,CCCCCCCCCCC(CO)CCCCCCCC
0,0,0,,0,0,,,0,1,0,0,TOX7050,CN(C)C(=S)[S-]
0,0,0,0,0,0,0,0,0,0,1,0,TOX7052,CC(C)(C)c1cccc(C(C)(C)C)c1O
0,0,1,0,0,0,1,1,0,0,1,,TOX3746,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
0,0,0,0,0,0,0,0,0,0,0,0,TOX3747,Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1
0,0,1,0,1,1,0,0,0,0,1,0,TOX3216,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
0,0,1,,0,0,0,0,0,0,0,0,TOX3214,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX3749,CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
0,0,1,0,1,,0,0,0,0,,0,TOX29374,c1ccc2c(c1)CCc1ccccc1N2
0,0,0,0,0,0,0,0,0,0,0,0,TOX4978,O=C(O)c1cc(Cl)ccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX4979,O=C(O)c1c(Cl)cccc1Cl
1,,0,0,0,0,0,0,0,0,0,0,TOX4976,O=C(O)c1cccc(Cl)c1Cl
0,,0,,0,0,0,0,,1,,,TOX29377,O=C1C=CC(=O)N1
0,0,,0,0,0,0,0,0,0,0,0,TOX4970,O=Cc1c(Cl)cccc1Cl
0,0,0,,0,0,0,,0,,,,TOX17224,CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O
0,0,0,,0,,0,,0,,,,TOX10707,C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6CC(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1
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1,0,0,0,0,0,0,0,0,0,0,0,TOX7441,CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
0,0,0,0,0,0,0,0,0,,0,0,TOX7449,CCCCCCCCCC#N
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0,0,0,0,0,0,0,0,0,0,,0,TOX29309,ClCCCCBr
0,0,,0,0,0,0,0,0,0,,0,TOX29308,CCCCCCCCCCCBr
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0,0,1,,1,0,0,,1,,1,1,TOX26178,CCCOc1ccc2nc(NC(=O)OC)sc2c1
0,0,,,0,0,,,0,,,0,TOX26177,CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX29307,CCCCCCCCCBr
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0,0,0,0,0,0,0,0,0,0,0,0,TOX29303,O=S(=O)(Cl)c1c(Cl)cccc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX27552,CCCCCCOC(=O)CCCCC
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0,0,0,0,0,0,,0,0,0,0,0,TOX27551,CCCCC1CCCCC(=O)O1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX27554,CC/C=C\CCOC(=O)c1ccccc1
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0,0,0,0,0,0,0,0,0,0,0,0,TOX27559,CCCCCCOC(=O)CCC
0,,,0,,,0,,0,1,1,,TOX21681,O=[N+]([O-])c1ccc(O/N=C/c2cc(Br)c(O)c(Br)c2)c([N+](=O)[O-])c1
0,0,0,,,0,,0,,0,,0,TOX21682,O=S1(=O)OC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)c2ccccc21
0,0,1,0,,0,0,0,0,0,,0,TOX21684,CCOP(=S)(OCC)Oc1cc(Cl)c(Br)cc1Cl
0,,1,,,0,,,0,1,1,,TOX5513,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1.CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1
0,,0,,,0,,1,0,0,1,,TOX4276,C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1
,,,,,,,0,,0,,,TOX26799,O=c1cc(O)c(Cl)c[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26798,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(C(F)(F)F)c1
1,1,0,1,1,1,0,0,0,0,0,0,TOX14113,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O
0,,0,,,,,,,,,,TOX26792,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
0,0,0,0,0,0,,,0,,1,0,TOX26791,CCCCCc1ccc(C)cc1O
0,0,0,0,0,0,0,,0,,0,0,TOX26790,CCCOC(=O)c1ccccc1O
0,0,,0,0,0,0,,0,,0,0,TOX26795,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccc(N)n3CCO)CS[C@H]12)c1csc(N)n1
0,0,0,,0,0,0,0,0,,0,0,TOX22089,CCCCCCCCCCCCSC#N
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0,0,0,0,0,0,0,0,0,0,0,0,TOX9679,Cl[Sn](Cl)(Cl)Cl
0,0,0,,0,0,0,,0,0,0,0,TOX9670,CC1CC(CC2CCC(N)C(C)C2)CCC1N
0,0,0,0,0,0,0,0,0,0,0,0,TOX9671,CC(O)(P(=O)([O-])O)P(=O)([O-])O
0,0,0,0,0,0,0,0,0,0,0,0,TOX9677,O=[Si]=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24909,CO[Si](C)(OC)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX20795,Cc1ccc(S(=O)(=O)[N-]Cl)cc1
0,0,1,0,0,0,0,1,0,0,1,0,TOX20794,[O-]c1ccccc1-c1ccccc1
0,,1,,,0,0,1,0,0,,0,TOX5166,O=[N+]([O-])c1cccc2cccc([N+](=O)[O-])c12
0,0,0,0,0,0,0,0,0,0,0,0,TOX5167,O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(S(=O)(=O)O)cc2c1O
0,0,1,0,0,0,0,1,0,0,,0,TOX5164,O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1
0,0,,0,0,0,0,1,0,0,0,0,TOX5165,O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12
0,0,1,,,0,0,0,0,0,1,,TOX865,Nc1ccc(Cc2ccc(N)c(Cl)c2)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX22335,CCCCOC(=O)[C@H](C)O
0,0,0,0,0,0,0,0,0,0,,0,TOX22337,CCCOC(=O)CC
0,0,0,0,0,0,0,0,0,0,0,0,TOX20245,OC[C@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl
0,,0,,,,,,,,1,,TOX14566,CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([NH2+]C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.O=C([O-])c1ccccc1
0,0,0,0,0,0,0,,0,,,0,TOX28689,O=C(Nc1ccc(/C=C/c2ccc(NC(=O)c3cc(S(=O)(=O)O)c4cccnc4c3O)cc2S(=O)(=O)O)c(S(=O)(=O)O)c1)c1cc(S(=O)(=O)O)c2cccnc2c1O
0,0,0,0,0,0,0,0,0,0,,0,TOX2254,CCOP(=S)(OCC)SCSC(C)(C)C
0,0,1,0,0,0,0,,0,,,0,TOX28685,CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1
0,0,0,0,0,0,0,,0,,,0,TOX28684,CN1CCN(C2=Nc3ccccc3Cc3ccccc32)CC1
0,0,0,0,0,0,0,,0,,0,0,TOX28683,O=C(Cn1c(=O)sc2ccc(Cl)cc21)N1CCN(CCO)CC1
0,0,0,0,0,0,0,,0,,,0,TOX28682,COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2524,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
0,0,0,0,0,0,0,0,0,0,0,0,TOX1519,CCCCOCCOCCO
0,0,,0,1,1,0,1,0,0,0,0,TOX1518,O=C(O)/C=C/C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1517,O=C(O)/C=C\C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1516,CCC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1515,CCCC(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX1513,CCCC=O
0,0,0,0,1,,0,,0,,0,0,TOX2991,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7201,CCC(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7200,c1cc(-c2ccncc2)ccn1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7205,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7204,CN=C=S
0,0,0,0,0,0,0,0,0,0,0,0,TOX7206,CC(C)=CCO
0,0,0,0,0,0,0,0,0,0,,0,TOX3914,COP(=O)(OC)O/C(C)=C/C(=O)N(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3917,ClCCOCOCCCl
0,0,0,0,1,1,0,0,0,0,0,0,TOX520,CC(C)=CCl
0,,1,,0,0,,1,0,0,1,0,TOX5209,O=C1c2c(O)ccc(Nc3ccc(CCO)cc3)c2C(=O)c2c([N+](=O)[O-])ccc(O)c21
0,,1,0,0,0,0,1,0,0,,1,TOX2629,O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
0,0,0,,0,0,0,,0,,,0,TOX24560,O=[N+]([O-])C1(Br)COCOC1
0,0,1,0,,0,0,,0,0,0,0,TOX21047,CC(C)Cn1cnc2c(N)nc3ccccc3c21
0,0,0,,,0,0,0,0,0,0,0,TOX24564,CN(C)CCCN(C)CCCN(C)C
0,0,,0,0,0,0,1,0,0,0,0,TOX24565,NCCCOCCOCCOCCCN
0,0,,,0,0,,,0,,1,0,TOX17038,N#CSc1ccc(N)c([N+](=O)[O-])c1
0,0,0,0,0,0,0,,0,,0,0,TOX25969,CC(=O)N[C@H]1[C@@H](O[C@@H]2C(C(=O)[O-])C[C@@H](O[C@@H]3[C@@H](CO)O[C@H](OC4C(C(=O)[O-])O[C@@H](OC5[C@H]6CO[C@H](O6)[C@H](NS(=O)(=O)[O-])[C@H]5O)[C@H](O)[C@H]4O)[C@H](NC(C)=O)[C@H]3C)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H]1O
1,1,,0,1,0,0,,0,,0,0,TOX25965,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc12
,,,,,,,0,,0,,,TOX25964,CC(C)=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1
1,0,0,0,1,0,0,,0,,0,0,TOX25967,O=C1c2c(O)cccc2[C@H]([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc(CO)cc(O)c21
0,0,0,0,0,0,0,,0,,0,0,TOX25961,CC(N)Cc1ccc(O)cc1
0,0,1,0,,1,0,0,0,0,1,0,TOX25960,O=C1c2ccccc2C(=O)c2c1ccc(O)c2O
0,0,0,0,0,0,0,0,0,0,0,0,TOX25963,COc1cc(OC)cc(OC)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX501,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX504,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C
1,0,0,0,0,0,0,0,0,0,0,0,TOX505,CN(C)CCO
0,0,0,0,0,0,0,0,0,0,0,0,TOX507,CN(C)c1ccccc1
0,0,0,0,0,0,0,0,0,1,0,0,TOX508,C[As](C)(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX509,CC1(C)C(=O)NC(=O)NC1=O
0,0,1,0,1,1,0,0,0,1,1,1,TOX21306,O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21302,C=C(C)C(=O)OCCOC1CC2CC1C1C=CCC21
0,0,0,,,0,,,0,0,,,TOX21308,OCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX28521,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX3007,CCN(CC)C(=O)c1ccc(O)c(OC)c1
0,0,0,0,1,1,0,,0,,0,0,TOX3005,C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
1,1,0,0,1,1,0,,0,,,0,TOX3004,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
0,0,0,0,0,0,0,0,0,0,0,0,TOX28526,CC(=O)OC(C)OC(=O)C(C)c1ccc(-c2ccccc2)c(F)c1
1,1,0,0,1,1,0,,0,,,0,TOX3001,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
1,1,0,,1,1,0,,0,,0,,TOX3000,CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]12
0,0,0,0,0,0,0,0,0,0,0,0,TOX25210,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC
0,0,0,1,0,0,0,0,0,0,0,0,TOX25217,FC(F)(F)c1ccccc1-n1ccnc1
0,0,0,,0,0,0,,0,,,0,TOX25216,N#CC(C#N)=Cc1cc(O)c(O)c(O)c1
0,0,0,0,0,,0,,0,0,1,0,TOX25215,N#CC(C#N)=Cc1ccc(O)c(O)c1
0,0,,,0,0,,1,0,0,0,1,TOX11863,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,,0,0,0,0,0,0,0,0,,0,TOX11862,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,,0,0,0,,0,0,0,0,TOX11860,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,,0,0,0,1,0,0,0,0,TOX11865,O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,0,0,,0,0,0,,0,0,,,TOX11864,O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
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0,0,0,0,,0,0,0,0,0,0,0,TOX26095,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C
0,0,,0,0,0,0,,0,,0,0,TOX26097,CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O
0,0,0,1,,0,,,,0,,0,TOX26091,CC1(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)OCc2ccccc2-n2cccc21
0,0,1,1,,0,,1,1,,1,,TOX26092,CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21
0,0,0,0,0,0,0,0,0,0,0,0,TOX26093,O=c1[nH]c2cc(C(F)(F)F)c(N3CCOCC3)cc2n(CP(=O)(O)O)c1=O
0,0,0,0,0,0,0,,0,,0,0,TOX26099,COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5
0,0,0,0,0,0,0,,0,,0,0,TOX26548,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
0,,0,1,,0,,,0,,1,,TOX22478,Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6981,CC(=O)Nc1ccc(S(=O)(=O)Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX6984,Cc1ccc([N+](=O)[O-])cc1Cl
0,0,0,,0,0,,,0,,,0,TOX26322,CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
1,1,0,0,0,0,0,,0,,,0,TOX26323,C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26321,C=CCN1CCc2nc(N)sc2CC1
0,0,0,0,0,0,0,0,0,0,,0,TOX26326,CN(C(=O)Cc1ccccc1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1
0,0,0,0,,0,0,,0,,0,0,TOX26325,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.CI
0,0,0,0,0,0,0,0,0,0,0,0,TOX15186,CC1=CC(=O)CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7588,O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
0,0,0,0,0,0,0,,0,0,,0,TOX7589,CCCCOCC(C)O
0,0,1,,0,0,0,1,0,0,0,0,TOX7584,c1ccc2sc(SN(C3CCCCC3)C3CCCCC3)nc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7857,CC(C)C(=O)OCC(C)(C)C(O)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX7852,Cc1cccc(Cl)c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7581,C1=CCCC=CCCC=CCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4176,C=C(C)C#N
0,0,0,0,0,0,0,0,0,0,0,0,TOX4177,COP(N)(=O)SC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4174,CCCCSP(=O)(SCCCC)SCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4175,COCC(=O)N(c1c(C)cccc1C)C(C)C(=O)OC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4170,C[N+]1(C)CCCCC1
0,,0,0,0,0,0,0,0,0,0,,TOX24029,Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21
0,0,,,0,0,0,,0,,,0,TOX24024,O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
0,0,0,0,,0,0,1,0,0,1,1,TOX1181,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1
0,0,1,0,0,0,0,0,0,0,0,0,TOX17584,Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
1,1,0,,0,0,0,0,0,0,0,0,TOX1184,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
1,1,0,0,1,0,0,0,0,0,0,0,TOX1185,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX17580,CNC(=O)CSP(=O)(OC)OC
0,0,0,1,,0,0,1,0,,0,0,TOX27052,C=C(C)[C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1
0,0,0,1,0,0,0,0,0,0,0,0,TOX27050,C=C(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1
0,0,0,0,0,0,0,0,0,0,0,0,TOX27057,CCOC(=O)CC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27056,CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
0,0,0,0,0,0,0,,0,0,0,0,TOX27055,CC1=CCCC(C)(C)C12CCC(C)O2
0,,0,,,0,,1,,1,,0,TOX24971,c1cc(C(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1
0,0,1,,0,0,,,0,0,0,0,TOX24794,CC1(CO)CN(c2ccccc2)NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX24972,C=C(C)C(=O)OCCCCCCCCCCOC(=O)C(=C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24791,CCC(=O)OCc1ccccc1
0,0,0,1,,0,0,0,0,0,1,0,TOX24790,Cc1cccc(Nc2ccccc2)c1
0,0,0,0,0,0,0,0,0,0,,0,TOX24793,O=S(=O)([O-])CC(O)CCl
0,0,0,0,0,0,0,0,0,0,0,0,TOX24976,C=CCOCC(CC)(CO)COCC=C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24979,NS(=O)(=O)c1ccccc1Cl
0,0,,0,0,0,,1,0,1,0,0,TOX24978,CCC(C)(CCC(C)C)C(=O)O[Sn](C)(C)OC(=O)C(C)(CC)CCC(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24799,CC(C)(C)C1CCCCC1O
0,0,0,0,0,0,0,0,0,1,0,0,TOX24798,CC(C)CP(=S)([S-])CC(C)C
,,,,,,,0,,0,,,TOX2635,CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX2982,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
0,0,0,0,0,0,0,0,0,0,0,0,TOX311,CN(C)C(=O)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX7558,Cc1ccc(S(=O)(=O)N=C=O)cc1
,,,,,,,1,,,,,TOX1729,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O
0,0,,0,1,0,0,0,0,0,,0,TOX25771,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
0,0,0,0,,0,0,,0,,0,0,TOX25773,N=C(N)NCc1cccc(I)c1.N=C(N)NCc1cccc(I)c1
,,,,,,,0,,0,,,TOX25777,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O
0,0,,,1,0,0,1,0,0,,0,TOX25778,C#CCN(C)CCCOc1ccc(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2188,CCCCCCCCCCCC#N
0,,0,,,1,,,1,1,,1,TOX319,N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX2187,Cc1ccc(C)c(O)c1C
0,0,0,0,0,0,0,0,0,0,,0,TOX2186,C=C(C)C(=O)OCCOCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX2180,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
0,,,0,0,0,,0,0,0,1,0,TOX12352,COP(=S)(OC)Oc1nc(Cl)c(Cl)cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX12354,C#CCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1
0,0,0,0,,0,0,1,0,0,0,0,TOX12355,CC1(C)CON(Cc2ccccc2Cl)C1=O
0,0,0,0,,0,0,0,0,0,0,0,TOX12356,CCSC(=O)N(CC)C1CCCCC1
0,0,0,0,0,0,0,0,0,0,,0,TOX12605,COC(=O)C(C)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1
0,0,,0,0,0,0,1,0,0,0,0,TOX25514,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC
1,0,,,0,0,0,0,0,0,1,0,TOX25511,CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25513,CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
0,0,1,0,0,0,0,0,0,0,0,0,TOX25519,CCCN1CCC[C@@H]2Cc3n[nH]cc3C[C@H]21
0,0,0,0,0,0,,,0,,1,0,TOX28548,CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
0,,0,1,,0,,,,,1,,TOX3582,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C
1,0,0,1,1,0,0,1,0,,,0,TOX3581,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
0,,0,,0,0,,1,0,1,1,1,TOX3586,CC(C)=CCOc1ccc(/C=C/C(=O)c2ccc(OCC=C(C)C)cc2OCC(=O)O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3587,O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1
0,0,0,0,0,0,0,,0,,0,0,TOX3584,C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX3588,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
0,0,0,0,0,0,0,0,0,0,0,0,TOX7076,CCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
0,1,1,0,0,0,1,1,0,0,1,1,TOX3764,c1ccc2c(c1)c1cccc3ccc4cccc2c4c31
0,0,0,0,0,0,0,0,0,0,0,0,TOX4918,C=CCNCC=C
0,0,0,0,0,0,,,0,1,1,,TOX4911,CCCCC/C=C/C=C/C=O
0,0,0,0,0,0,0,,0,0,0,0,TOX4912,C1CCC2CCCCC2C1
0,0,0,0,0,0,0,1,0,0,0,0,TOX4913,CCCCCCCCCC
0,0,0,0,0,0,0,0,0,,0,0,TOX4915,C=C(C)C(=O)OCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX4916,C=CC(=O)NC(C)(C)CC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX4917,CC(=O)CC(C)(C)O
0,,0,,,,,,,,,,TOX27353,CN(C)C(=O)C1(N2CCCCC2)CCN(CCC2(c3ccc(Cl)c(Cl)c3)CN(C(=O)c3ccccc3)CCO2)CC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX17207,O=C([O-])C(Cl)Cl
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0,0,1,,0,0,0,0,0,1,0,0,TOX7461,NNC(=S)NN
0,0,0,0,0,0,0,0,0,0,0,0,TOX21512,NC(=O)Nc1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX21513,[O-][n+]1ccc(Cl)cc1
0,0,0,,0,0,0,,0,,0,0,TOX26759,CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21
0,0,,0,0,0,0,,0,0,,0,TOX21516,CCc1occc(=O)c1O
0,0,0,0,0,0,0,0,0,0,0,0,TOX21517,CC1=C(O)C(=O)C(C)O1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21518,COc1ccc(CCO)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX21519,CCCC(C)C(O)CC
1,0,,,1,1,,1,1,0,1,,TOX11980,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
0,0,0,0,0,0,0,,0,,0,0,TOX26155,O=C1C[N+]([O-])=C(c2ccccc2)c2cc(Cl)ccc2N1
0,0,0,,0,0,0,,0,,0,0,TOX26154,O=C(/C=C/c1cccc(F)c1)NC1CC1
0,,0,0,0,0,0,0,0,0,0,0,TOX26157,O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1
0,0,1,,,0,0,,0,,1,,TOX26156,O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1
0,,0,0,0,0,1,0,0,0,0,0,TOX26151,O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
0,0,,0,0,0,0,0,0,0,0,0,TOX26150,Cc1cccc(C)c1NC(=O)CN1CCCC1
0,0,0,0,0,0,0,0,0,0,0,0,TOX26153,NS(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
,,,,,,,0,,0,,,TOX26159,O=C(NCN1CCOCC1)c1cnccn1
,,,,,,,,,0,,,TOX26755,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1
1,1,0,,1,1,0,,0,,,,TOX26754,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
0,0,0,0,0,0,,1,0,1,0,0,TOX27202,C=C/C(C)=C/C/C=C(\C)CCC=C(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27203,CCC(=O)OCCOc1ccccc1
0,0,0,0,0,,0,0,0,0,0,0,TOX27200,CC(=O)CCC1=C(C)CCCC1(C)C
0,0,0,0,0,0,0,0,0,0,0,0,TOX27201,COc1cc(C=O)ccc1OC(=O)C(C)C
,,,,,,,0,,0,,,TOX31494,CN1N=C(C(N)=O)CCC1=O
,,,,,,,0,,0,,,TOX31495,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O
,,,,,,,0,,0,,,TOX31496,Cc1sccc1Br
,,,,,,,0,,0,,,TOX31497,O=C(CCCl)NCCc1ccccc1
,,,,,,,0,,0,,,TOX31490,[O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1
,,,,,,,,,1,,,TOX31491,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C
,,,,,,,1,,0,,,TOX31492,C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1
0,,,,,0,,,0,,1,1,TOX26752,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1
0,0,1,,,0,,1,0,0,1,1,TOX5538,S=C1NC=NC2N=CNC12
0,0,0,0,0,0,0,,0,0,0,0,TOX6841,CCCCCCOC(=O)CCCCC(=O)OCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX6842,CCCCCCCCCC(=O)OC
0,,1,,,0,0,,0,,1,0,TOX26121,Cc1c(Cl)cccc1Nc1ncccc1C(=O)O
0,,0,0,0,0,1,,0,0,0,0,TOX290,Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX10588,CNCC(O)c1ccc(O)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX292,O=CCCl
0,0,1,,1,0,0,1,1,1,0,0,TOX293,O=C(CCl)c1ccccc1
0,,1,0,0,0,0,,0,0,,0,TOX21850,COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX20001,COC(=O)c1ccccc1C(=O)O
0,1,1,,1,0,0,1,1,1,0,1,TOX294,CC(=O)Nc1ccc(C(=O)CCl)cc1
0,0,0,0,0,0,0,0,0,0,,0,TOX20002,CCCCOC(=O)c1ccccc1C(=O)O
0,0,1,0,0,0,,0,0,0,0,0,TOX296,Nc1ccc(Cl)cc1
0,0,1,0,0,0,0,,0,0,0,0,TOX22352,CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C
0,,0,,,0,,1,0,1,,1,TOX20269,CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C=C(C)C
0,,0,,,1,,1,,1,1,1,TOX20268,CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C
0,0,,,,,0,,0,0,,0,TOX20265,CCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-]
0,0,0,0,0,0,0,,0,,,0,TOX20266,CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CSC#N)C2
0,,0,1,0,,,,,,,,TOX391,CC(C)N(C(=O)SCC(Cl)=CCl)C(C)C
0,0,1,,0,0,0,0,0,0,0,1,TOX4729,COC(=O)Nc1nc2ccccc2[nH]1
0,0,0,0,0,0,0,0,0,0,0,0,TOX4721,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
0,0,0,0,0,0,0,0,0,0,0,0,TOX4726,NC(N)=O.OO
0,0,0,0,0,0,0,0,0,0,0,0,TOX4724,CCCCCCCC(=O)Cl
0,0,0,0,0,0,0,0,0,1,0,0,TOX7263,CCCCCOC(C)=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX7267,CCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7266,CCCCCCCCCCCCC
0,0,0,,0,0,0,0,0,0,0,0,TOX7265,OCCCCCCO
0,0,0,0,0,0,0,0,0,0,,0,TOX7269,C=CCCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX7268,CCCCCCCCCCCCCCC
0,0,0,0,0,0,0,0,0,0,0,0,TOX3973,CSc1ccc(Cl)cc1
0,0,0,0,,0,0,0,0,0,0,0,TOX3971,Clc1ccc2ccccc2c1
0,0,0,0,0,0,0,0,0,0,0,0,TOX3977,Cc1ccccc1Cl
0,0,1,1,1,,0,,0,,1,,TOX18298,Oc1ccc2ccc3cccc4ccc1c2c34
0,0,,,1,1,0,,0,0,1,0,TOX749,CC(C)COC(=O)c1ccc(O)cc1
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0,0,,,0,0,0,,0,0,0,0,TOX742,NC(=O)CI
0,0,,,1,0,0,0,0,0,0,0,TOX743,IC(I)I
0,,0,0,0,0,1,0,0,0,0,0,TOX740,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
0,0,0,0,0,0,0,0,0,0,0,0,TOX24580,C=CCOCC(CO)(COCC=C)COCC=C
0,0,0,,1,,0,,0,0,1,,TOX24581,CCc1ccc(O)c(C(C)(C)C)c1
0,0,0,,0,0,0,0,0,0,,0,TOX24582,Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C
0,0,0,0,0,0,0,0,0,0,0,0,TOX24584,C#CCN(C)[C@H](C)Cc1ccccc1
0,0,1,0,0,0,0,0,0,0,1,0,TOX24585,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1
0,0,0,0,0,0,0,0,0,0,,0,TOX24587,CCN(CCC#N)c1ccccc1
0,0,0,0,0,0,0,,0,0,,0,TOX24589,COC(=O)CCCC(=O)O
0,0,,,0,0,0,0,0,,,,TOX27852,OC[C@H](Cc1cccc(O)c1)[C@H](CO)Cc1cccc(O)c1
0,0,,,0,0,0,0,0,0,1,0,TOX27850,COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
0,0,,,0,0,0,0,0,0,,0,TOX27857,Cc1ccc(O)c(C(=O)c2ccccc2)c1
,0,,,1,1,0,,0,0,1,0,TOX27856,O=C(c1ccccc1)c1cccc(O)c1
0,,0,0,0,,,,0,,0,,TOX27854,CN1CCc2cc3c(cc2C1O)OCO3
,0,0,,0,0,0,,0,0,1,0,TOX27859,CCCCCCCCCCCCOC(=O)c1ccc(O)cc1
0,0,0,,1,1,0,0,0,0,,0,TOX27858,O=C(Oc1ccccc1)c1ccc(O)cc1
0,0,0,,0,0,,,0,,0,0,TOX25980,C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
,,,,,,,0,,0,,,TOX25987,CN1CC(=O)NC1=N
1,0,0,,1,0,0,0,0,0,0,0,TOX25985,CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1CC(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321
0,0,0,0,0,0,0,,0,,0,0,TOX25988,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O
0,0,0,0,0,0,0,0,0,0,0,0,TOX298,Clc1ccccc1
0,0,1,,,0,0,,0,0,1,1,TOX299,CCOC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
0,0,0,0,1,0,0,0,0,0,0,0,TOX569,CCC1CO1
0,0,0,0,0,0,0,0,0,0,0,0,TOX562,FC(F)OC(F)(F)C(F)Cl
0,0,0,,,0,0,1,0,,1,,TOX560,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
0,0,0,0,0,0,0,0,0,0,0,0,TOX566,ClCC1CO1
1,0,0,0,0,0,,0,0,0,0,0,TOX567,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
0,0,0,0,0,0,0,,0,,0,0,TOX3398,CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1
0,0,,0,0,0,0,0,0,0,0,0,TOX25189,CCCn1cnc2c1c(=O)n(CCCCC(C)=O)c(=O)n2C
0,0,0,0,0,0,0,0,0,0,0,0,TOX25188,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1
0,0,0,0,,0,0,0,0,0,0,0,TOX25183,Cc1ccc(=O)n(-c2ccccc2)c1
0,0,0,,0,0,,,0,0,,0,TOX25187,CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
0,0,0,0,0,0,0,,0,,0,0,TOX25186,CCCn1c(=O)[nH]c(=O)c2[nH]cnc21
0,0,0,0,,0,,,0,0,,0,TOX25184,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
,,,,,,,0,,0,,,TOX2725,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
1,1,0,0,1,0,,,0,0,,0,TOX2370,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
1,1,0,0,1,1,0,1,0,0,0,0,TOX2371,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O