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COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O ZINC000001485702 IG Annotated Anodyne CCOc1ccc([C@H]2C(C#N)=C([C-](C#N)C#N)N[C@@](O)(C3CC3)[C@H]2[n+]2ccc(C)cc2)cc1 ZINC000100023592 IG Annotated Reactive CCOc1ccc([C@@H]2C(C#N)=C([C-](C#N)C#N)N[C@@](O)(C3CC3)[C@H]2[n+]2ccc(C)cc2)cc1 ZINC000100023597 IG Annotated Reactive CCOc1ccc([C@H]2C(C#N)=C([C-](C#N)C#N)N[C@@](O)(C3CC3)[C@@H]2[n+]2ccc(C)cc2)cc1 ZINC000100023601 IG Annotated Reactive CCOc1ccc([C@@H]2C(C#N)=C([C-](C#N)C#N)N[C@@](O)(C3CC3)[C@@H]2[n+]2ccc(C)cc2)cc1 ZINC000100023604 IG Annotated Reactive CCC[C@@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034464 IG Annotated Anodyne CCC[C@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034465 IG Annotated Anodyne O=C(O)c1c(=O)c2cc(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c3c2n2c(csc12)CS3 ZINC000100037949 IG Annotated Anodyne CCOC(=O)CNC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1 ZINC000100046377 IG Annotated Bother CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1[N+]2(C)Cc1ccccc1 ZINC000100046379 IG Annotated Bother O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2/C1=N/Nc1c(O)ccc2ccccc12 ZINC000100058931 IG Annotated Mild in-vitro CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2N[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1 ZINC000100061076 IG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2N[C@H]2C[C@@H]3CC[C@@H]2C3)nc1 ZINC000100061078 IG Annotated Mild CCOC(=O)[C@@H]1[C@H]2CCC(N3C[C@H](COc4ccc(C#N)cn4)C(C)(C)C3=O)CC[C@H]21 ZINC000100066246 IG Annotated Mild CCOC(=O)[C@@H]1[C@H]2CCC(N3C[C@@H](COc4ccc(C#N)cn4)C(C)(C)C3=O)CC[C@H]21 ZINC000100066247 IG Annotated Mild N#C[C@@]1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3)cn2)[C@H]2CSC[C@H]21 ZINC000100082930 IG Annotated Mild Cc1noc(C)c1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100087105 IG Annotated Anodyne O=c1c(NCCCN(Cc2ccc(F)cc2)c2ccccn2)c(NCc2ccncc2)c1=O ZINC000100087879 IG Annotated Anodyne 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N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)c1 ZINC000100106042 IG Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)c1 ZINC000100106047 IG Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)cc1 ZINC000100106277 IG Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5F)C[C@@H]3N4)cc2)cc1 ZINC000100106282 IG Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100107058 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccn5)C[C@@H]3N4)cc2)cc1 ZINC000100108240 IG Annotated Anodyne N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)Cc5ccccc5)C[C@@H]3N4)cc2)cc1 ZINC000100108576 IG Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100109271 IG Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccc(F)cc5)C[C@@H]3N4)cc2)cc1 ZINC000100109277 IG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000100120427 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000100132522 IG Annotated Anodyne CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@@H](c3ccc(OC)c(OC)c3OC)[C@]12C#N ZINC000100196615 IG Annotated Mild CCSC1(SCC)N=C(N)[C@@]2(C#N)[C@H](c3ccc(OC)c(OC)c3OC)[C@]12C#N ZINC000100196622 IG Annotated Mild Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C/N=C(/S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100251136 IG Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](C/N=C(/S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000100251139 IG Annotated Mild CC(=O)CC(=O)N1C(=O)N(C)[C@@]2(C)Oc3ccccc3[C@@H]1[C@H]2COC(=O)c1ccccc1 ZINC000100263512 IG Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCCCN4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000100264268 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000100272822 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000100272824 IG Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 ZINC000100293182 IG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 ZINC000100293184 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@@]4(C)C2)[C@@H]31 ZINC000100302113 IG Annotated Mild in-vitro C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]31 ZINC000100302116 IG Annotated Mild in-vitro C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@@H](C[C@@H]1C4)O2 ZINC000100302120 IG Annotated Mild in-vitro CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(c1nnn[nH]1)(C3)C2 ZINC000100387812 IG Annotated Anodyne CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@@H]1C[C@@](c1nnn[nH]1)(C2)C3 ZINC000100387815 IG Annotated Anodyne COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccccc1 ZINC000100426299 IG Annotated Mild COCCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccccc1 ZINC000100426306 IG Annotated Mild COc1cccc(N2C(SCC(=O)N3CCOCC3)=NN/C2=C2\C=Nc3ccccc32)c1 ZINC000100445846 IG Annotated Anodyne O=C1C=CC(=C2NN=C(SCC(=O)N3CCc4ccccc4C3)N2Cc2ccco2)C=C1 ZINC000100467680 IG Annotated Mild Cc1nn(C)c(C)c1CN(C)C(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000100479370 IG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F ZINC000100479376 IG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CNN2C1=N[C@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000100479379 IG Annotated Anodyne Cc1nn(C)c(C)c1CN(C)C(=O)C1=CNN2C1=N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F ZINC000100479386 IG Annotated Anodyne O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 ZINC000100492701 IG Annotated Reactive O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 ZINC000100492706 IG Annotated Reactive CCC(=O)N1N/C(=C2/C(=O)N=c3ccc(Cl)cc3=C2c2ccccc2)C[C@H]1c1ccco1 ZINC000100537806 IG Annotated Anodyne CCC(=O)N1N/C(=C2/C(=O)N=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccco1 ZINC000100537812 IG Annotated Anodyne Cc1ccc(C)c(N2CCN(C(=O)Cn3[nH]cc4c5cc(C)ccc5nc-4c3=O)CC2)c1 ZINC000100544786 IG Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)c1 ZINC000100549424 IG Annotated Anodyne Cc1c(COc2c(F)cc(F)cc2F)c2c(n1C)C(=O)C=C(NCCCN(C)C)C2=O ZINC000100601363 IG Annotated Mild Cc1c(COc2c(F)cc(F)cc2F)c2c(n1C)C(=O)C(NCCCN(C)C)=CC2=O ZINC000100601368 IG Annotated Mild Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 ZINC000100632957 IG Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@H]1CC[C@H](C2)N1 ZINC000100632963 IG Annotated Anodyne COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633427 IG Annotated Anodyne COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633432 IG Annotated Anodyne CN(C)S(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4occc34)CC2)CC1 ZINC000100636736 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CCOC1 ZINC000100636793 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCOC1 ZINC000100636794 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CCCO1 ZINC000100636795 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCCO1 ZINC000100636798 IG Annotated Anodyne O=C(CC1COC1)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636899 IG Annotated Anodyne CC(C)(O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636920 IG Annotated Anodyne CC[C@H](O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636924 IG Annotated Anodyne COC(CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC ZINC000100636995 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1 ZINC000100637031 IG Annotated Anodyne CC[C@@H](O)CC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637081 IG Annotated Anodyne CCSc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)s1 ZINC000100705099 IG Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nc3c4ccccc4nc-3c2O)cc1 ZINC000100705420 IG Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCOCC1 ZINC000100705660 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1[C@H]2OC[C@H]13 ZINC000100767337 IG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1[C@H]2OC[C@H]13 ZINC000100767340 IG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000100783360 IG Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000100783365 IG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000100783367 IG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000100783371 IG Annotated Mild Cc1csc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@H](C)C3=O)cc2)c1C ZINC000100789894 IG Annotated Mild Cc1csc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@H](C)C3=O)cc2)c1C ZINC000100789897 IG Annotated Mild Nc1nc(O)c(Br)c(-c2cc(Br)c(O)c(Br)c2)n1 ZINC000100807838 IG Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000100822172 IG Annotated Anodyne in-man COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000100822174 IG Annotated Anodyne in-man COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000100822175 IG Annotated Anodyne in-man O=C1/C=C/c2ccc(O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1 ZINC000100822349 IG Annotated Anodyne in-man CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@@]13OO2 ZINC000100832176 IG Annotated Reactive 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CCC[C@@H](CC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101009226 IG Annotated Anodyne CCC[C@H](CC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101009229 IG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccccc1 ZINC000101011469 IG Annotated Anodyne C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@@]12O[C@H]1[C@@](C)(O)NC2=O)C(=O)OC(C)(C)C ZINC000101015943 IG Annotated Mild C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@@H]1[C@@](C)(O)NC2=O)C(=O)OC(C)(C)C ZINC000101015945 IG Annotated Mild CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000101028594 IG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1CC1CCCCC1 ZINC000101033576 IG Annotated Anodyne CCCCCNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101033580 IG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccc(F)cc21 ZINC000101035908 IG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(F)cccc21 ZINC000101036025 IG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc21 ZINC000101037812 IG Annotated Anodyne O=C(CCCCCOc1ccc(-c2ccccc2)cc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O ZINC000101069170 IG Annotated Anodyne COc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C ZINC000101077577 IG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccccc1 ZINC000101077634 IG Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(O)cccc21 ZINC000101077708 IG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccc(F)c2n1CCC1CC1 ZINC000101077807 IG Annotated Anodyne CN(C)CCNC(=O)[C@H]1CC[C@@H](N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C2CC2)CC1 ZINC000101099805 IG Annotated Anodyne CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1nnn[nH]1)(C3)C2 ZINC000101113205 IG Annotated Anodyne CN(C(=O)N[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000101136288 IG Annotated Anodyne C/C=C(\C)[C@@H]1CC[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@](C)(O)C(=O)O)C1=O 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C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(=O)CCCCl)C3=O ZINC000101419251 IG Annotated Reactive CC(=O)O[C@H]1[C@H](C)[C@@H](O)[C@H]2[C@H]1C=C(C)[C@@H]1C[C@@H]3[C@@H](C4=C5O[C@]3(C)CC[C@H](OC4=O)[C@H]5C)[C@@H]12 ZINC000101447328 IG Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(Br)c(NC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101450604 IG Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(Br)c(NC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101450608 IG Annotated Anodyne O[C@@H]1CC[C@@H](Nc2ncc(Br)c(NC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)n2)CC1 ZINC000101450612 IG Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000101459067 IG Annotated Anodyne Cc1ccc2cccc(NC(=O)[C@@]3(O)CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000101459076 IG Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@@H]3Cc4ccccc4[C@@H]3O)C[C@H]21 ZINC000101473513 IG Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@H]3Cc4ccccc4[C@@H]3O)C[C@H]21 ZINC000101473514 IG Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@@H]3Cc4ccccc4[C@H]3O)C[C@H]21 ZINC000101473516 IG Annotated Anodyne CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@H]3Cc4ccccc4[C@H]3O)C[C@H]21 ZINC000101473517 IG Annotated Anodyne CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@@H]2CC[C@@H](c3cc(F)cc(F)c3)CC2)CC1 ZINC000101490926 IG Annotated Anodyne COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C ZINC000101500494 IG Annotated Anodyne COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C ZINC000101500502 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 ZINC000101500651 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 ZINC000101500653 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 ZINC000101500655 IG Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Br)cc2)=N1 ZINC000101501107 IG Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Br)cc2)=N1 ZINC000101501109 IG Annotated Anodyne CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 ZINC000101501112 IG Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)cc1Cl ZINC000101507914 IG Annotated Anodyne Cc1ccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3nnc(C)c-3c2N)cc1Cl ZINC000101507916 IG Annotated Anodyne CCOC(=O)C1=C(O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)N=C1C ZINC000101510853 IG Annotated Anodyne COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000101520951 IG Annotated Anodyne COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000101520970 IG Annotated Anodyne Cc1ccc(N2O[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3[C@@H]2c2ccc(O)cc2)cc1 ZINC000101521095 IG Annotated Anodyne COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101521151 IG Annotated Anodyne O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 ZINC000101521195 IG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 ZINC000101550087 IG Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 ZINC000101550093 IG Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 ZINC000101550099 IG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 ZINC000101550104 IG Annotated Anodyne CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)C2=C(C(=O)C(O)=C3C(C)(C)CCC[C@]23C)C1=O ZINC000101575402 IG Annotated Mild O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000101584719 IG Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000101584725 IG Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000101584730 IG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000101584737 IG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 ZINC000101584744 IG Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 ZINC000101584750 IG Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 ZINC000101584757 IG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 ZINC000101584762 IG Annotated Anodyne CS(=O)(=O)c1ccccc1Cc1c([C@@H]2CC[C@H](c3ccccc3)CC2)[nH]c(=O)[nH]c1=O ZINC000101598455 IG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NC1CCCCC1 ZINC000101623143 IG Annotated Anodyne CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC[18F])c2cnc(-c3ccccc3)nc21 ZINC000101623156 IG Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 ZINC000101639563 IG Annotated Anodyne NCCCNCCCNCCCNC1=CC(=O)c2cc3cc4ccccc4cc3cc2C1=O ZINC000101642319 IG Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101644253 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C[C@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101644256 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101648707 IG Annotated Anodyne C[C@]12C[C@@]34CCC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](C[C@@H]1C4)O2 ZINC000101651039 IG Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@@H](O)C[C@@H](O)C1 ZINC000101653626 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23CC[C@H](C[C@@H]21)[C@](C)(O)C3 ZINC000101671650 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23CC[C@@H](C[C@H]12)[C@](C)(O)C3 ZINC000101671655 IG Annotated Mild O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000101694793 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101708894 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101708898 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101708903 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000101708906 IG Annotated Anodyne C=C1CC[C@@H]2O[C@]2(COC(C)=O)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)[C@H](OC(C)=O)C1 ZINC000101710583 IG Annotated Mild Cc1nn(-c2ccccc2)c(N)c1/N=N/c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000101712719 IG Annotated Clean CCOC(=O)CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2c1O ZINC000101717780 IG Annotated Anodyne CCOC(=O)CCc1c(C)nc2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2c1O ZINC000101717786 IG Annotated Anodyne COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1OC ZINC000101739154 IG Annotated Anodyne CCN1[C@@H](C)CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@H]1C ZINC000101757795 IG Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)NCC1CCN(Cc2ccccc2F)CC1 ZINC000101787046 IG Annotated Anodyne Cc1nnc(NC(=O)CSc2n[nH]c3c4cc(Br)ccc4nc-3n2)s1 ZINC000101788618 IG Annotated Anodyne COCCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O ZINC000101801777 IG Annotated Anodyne CCc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2CCOC)s1 ZINC000101836714 IG Annotated Anodyne CCOC(=O)C(/C=N/c1ccc([C@@](O)(C(=O)OCC)C(F)(F)F)cc1C)=C(/O)OCC ZINC000101883646 IG Annotated Mild CCOC(=O)C(/C=N/c1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C)=C(/O)OCC ZINC000101883649 IG Annotated Mild COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1 ZINC000101916317 IG Annotated Reactive O=C(NCc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000101943341 IG Annotated Anodyne CC(C)(C)c1nnc2sc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)nn2c1=O ZINC000101961199 IG Annotated Reactive O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101977875 IG Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000101977880 IG Annotated Anodyne CC1=CC(=O)C2=C(COC(=O)CC(C)C)C[C@H](OS(O)(O)O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000101979197 IG Annotated Mild N#CCC(=O)N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000102000174 IG Annotated Reactive N#CCC(=O)N/N=C(\c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)cc1 ZINC000102000176 IG Annotated Reactive Cc1nnc([C@@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000102072463 IG Annotated Anodyne Cc1nnc([C@H]2C[C@@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000102072469 IG Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000102095045 IG Annotated Anodyne COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 ZINC000102118255 IG Annotated Reactive COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1CCCC2 ZINC000102118259 IG Annotated Reactive O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000102126269 IG Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000102126272 IG Annotated Anodyne NC(=O)c1ccc(NC(=O)COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 ZINC000102203649 IG Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 ZINC000102204019 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23C[C@H]4C[C@](C)(C2)O[C@H]4[C@@H]13 ZINC000102262749 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23C[C@@H]4C[C@](C)(C2)O[C@H]4[C@@H]13 ZINC000102262752 IG Annotated Mild C[C@@]12C[C@H]3C[C@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]4[C@@H]3O1)C2 ZINC000102262758 IG Annotated Mild Cc1cccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)c1 ZINC000102275361 IG Annotated Anodyne COc1ccc(CNC(=O)c2ccc(C/N=c3\c(O)c(O)\c3=N/C3CCCCC3)cc2)cc1 ZINC000102299392 IG Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1OC(C)=O ZINC000102310099 IG Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1OC(C)=O ZINC000102310102 IG Annotated Anodyne O=C1N=C2C=CC=C[C@H]2N1CCCN1CCC(N2C(=O)N=C3C=C(Cl)C=C[C@H]32)CC1 ZINC000102314896 IG Annotated Anodyne O=C1N=C2C=C(Cl)C=C[C@@H]2N1C1CCN(CCCN2C(=O)N=C3C=CC=C[C@H]32)CC1 ZINC000102314899 IG Annotated Anodyne O=C1N=C2C=CC=C[C@@H]2N1CCCN1CCC(N2C(=O)N=C3C=C(Cl)C=C[C@H]32)CC1 ZINC000102314903 IG Annotated Anodyne O=C1N=C2C=CC=C[C@@H]2N1CCCN1CCC(N2C(=O)N=C3C=C(Cl)C=C[C@@H]32)CC1 ZINC000102314904 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C2\CC(=O)CC(C)(C)C2)c1 ZINC000102345707 IG Annotated Reactive COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102434225 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102434231 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102541847 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102541851 IG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102549371 IG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3cccnc3)ccc2O1 ZINC000102549378 IG Annotated Mild CC(C)(C)c1nnc2sc(SC/C(O)=C(/C#N)c3nc4ccccc4[nH]3)nn2c1=O ZINC000102683865 IG Annotated Reactive COCC(=O)Nc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)c2c(c1)ncn2Cc1ccc(F)cc1 ZINC000102685876 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N1CCCC[C@@]21C(=O)OC ZINC000102691243 IG Annotated Anodyne CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000102765588 IG Annotated Anodyne Cc1c(C(=O)Nc2ccccc2)[n+]([O-])c2cc(CNC/C=C/c3ccccc3)ccc2[n+]1[O-] ZINC000102787318 IG Annotated Anodyne C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(Cl)cc1Cl ZINC000102836545 IG Annotated Reactive C=C1Nc2ccccc2C(=O)N1c1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000102877752 IG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102886944 IG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102887784 IG Annotated Anodyne CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@@]5(C)C[C@@H]6C(=O)OC[C@@]64O[C@@]3(CC[C@@H]12)C5 ZINC000102899665 IG Annotated Anodyne COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102911961 IG Annotated Mild COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2c2cc(C)on2)cc1 ZINC000102911964 IG Annotated Mild O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nn1c(S)nc2ccccc2c1=O ZINC000102938332 IG Annotated Anodyne COc1cc(OC)c(C(=O)CC(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1OC ZINC000102943586 IG Annotated Anodyne CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2OC)N=C1C ZINC000102949840 IG Annotated Clean CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2OC)N=C1C ZINC000102949842 IG Annotated Clean CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3OC)N=C2C)cc1 ZINC000102956615 IG Annotated Clean CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3OC)N=C2C)cc1 ZINC000102956617 IG Annotated Clean COc1ccc([C@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC ZINC000102957673 IG Annotated Anodyne Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C#N)c2)C1(C)C ZINC000102966986 IG Annotated Mild CCOC(=O)N1C=N[C@]23[C@@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C ZINC000102977446 IG Annotated Anodyne CCOC(=O)[C@@]12[C@H]3C=C[C@@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 ZINC000102979506 IG Annotated Anodyne CCOC(=O)[C@@]12[C@@H]3C=C[C@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 ZINC000102979508 IG Annotated Anodyne N#C[C@H]1C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000103000069 IG Annotated Mild N#C[C@H]1C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000103000072 IG Annotated Mild CCOC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@H]1CC4=O)[C@]31CC[C@](CC)(OC)OC1 ZINC000103007693 IG Annotated Mild CCOC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@H]1CC4=O)[C@@]31CC[C@](CC)(OC)OC1 ZINC000103007695 IG Annotated Mild CCO[C@@]1(CC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000103007697 IG Annotated Mild C[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000103008195 IG Annotated Anodyne O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(C2CCCCC2)CC1 ZINC000103010683 IG Annotated Anodyne O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2F)CC1 ZINC000103015459 IG Annotated Anodyne CN1C(=O)C(Cc2nccc3c4ccccc4n(C(=O)OC(C)(C)C)c23)C(=O)N(C)C1=O ZINC000103020589 IG Annotated Anodyne COC(=O)[C@H](NC(=O)c1cc([C@@H](NC(=O)OC(C)(C)C)C(C)C)sc1N)C(C)C ZINC000103052692 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103086445 IG Annotated Anodyne CCCOc1cccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000103088798 IG Annotated Mild CCCOc1cccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000103088801 IG Annotated Mild CCOc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC ZINC000103094343 IG Annotated Mild CCOc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC ZINC000103094347 IG Annotated Mild CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl ZINC000103096742 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl ZINC000103096749 IG Annotated Anodyne C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@@H](CO)C(=O)O)C1=O ZINC000103097613 IG Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N[C@@H](CO)C(=O)O)C1=O ZINC000103098078 IG Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@H](CO)C(=O)O)C2=O)[C@@H]1C ZINC000103100702 IG Annotated Mild C=C1[C@H](C)CCC[C@]1(C)CC/C(C)=C/CC1=C(O)C(=O)C=C(N[C@H](CO)C(=O)O)C1=O ZINC000103101558 IG Annotated Mild CC1=CCC[C@](C)(CC/C(C)=C/CC2=C(O)C(=O)C=C(N[C@@H](CO)C(=O)O)C2=O)[C@@H]1C ZINC000103103571 IG Annotated Mild C=CCOc1cccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103105219 IG Annotated Mild C=CCOc1cccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN2CCOCC2)c1 ZINC000103105226 IG Annotated Mild COCCn1c(=O)nc(-c2ccc(NC(=O)[C@H](C)N(C)C)cc2)c2oc3ccccc3c21 ZINC000103135387 IG Annotated Anodyne COCCn1c(=O)nc(-c2ccc(NC(=O)[C@@H](C)N(C)C)cc2)c2oc3ccccc3c21 ZINC000103135388 IG Annotated Anodyne COCCn1c(=O)nc(-c2ccc(NC(=O)CN3CCCC3)cc2)c2oc3ccccc3c21 ZINC000103135400 IG Annotated Anodyne C=C1[C@H]2C[C@H](OC(=O)N3CCOCC3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103143064 IG Annotated Mild C=CCn1c(=O)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000103163898 IG Annotated Reactive CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(C)cc3)CCC2=O)cc1 ZINC000103168321 IG Annotated Anodyne COc1cc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccccc2)ccc1O ZINC000103178649 IG Annotated Mild O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCOCC1 ZINC000103182091 IG Annotated Anodyne O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)c1ccccc1F ZINC000103182288 IG Annotated Anodyne Cc1cccc(C(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)c1 ZINC000103182291 IG Annotated Anodyne CC1=N/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103185727 IG Annotated Mild COc1ccc(/C=N/N=c2\scc(C3=CC(=O)C=CC3=O)n2-c2ccccc2)cc1O ZINC000103185776 IG Annotated Mild COc1ccccc1/C=C1\N=C(C)N(c2ccc(/C(C)=N/N=C3/NC(=O)CS3)cc2)C1=O ZINC000103186739 IG Annotated Mild COc1ccc(/C=C2\N=C(C)N(c3ccc(/C(C)=N/N=C4/NC(=O)CS4)cc3)C2=O)cc1 ZINC000103186741 IG Annotated Mild CC1=N/C(=C\c2ccccc2O)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186885 IG Annotated Mild CC1=N/C(=C\c2cccc(O)c2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103186887 IG Annotated Mild C[C@@H]1CC[C@H]2C(CC(C(=O)O)C(=O)O)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103187416 IG Annotated Reactive Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c4nc(=O)[nH]n34)cc2)cc1 ZINC000103188575 IG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000103191233 IG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2cc(OC)ccc2Br)cc1 ZINC000103191235 IG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2OC)c1 ZINC000103191238 IG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2OC)c1 ZINC000103191239 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnnn3-c3ccccc3C(=O)O)cc2)cc1 ZINC000103200476 IG Annotated Anodyne CC[C@]1(c2ccccc2)C(=O)NC(=O)N([C@@H]2CCOc3ccc(Cl)cc3C2=O)C1=O ZINC000103201565 IG Annotated Anodyne CC[C@@]1(c2ccccc2)C(=O)NC(=O)N([C@@H]2CCOc3ccc(Cl)cc3C2=O)C1=O ZINC000103201567 IG Annotated Anodyne CC[C@]1(c2ccccc2)C(=O)NC(=O)N([C@H]2CCOc3ccc(Cl)cc3C2=O)C1=O ZINC000103201569 IG Annotated Anodyne CC[C@@]1(c2ccccc2)C(=O)NC(=O)N([C@H]2CCOc3ccc(Cl)cc3C2=O)C1=O ZINC000103201570 IG Annotated Anodyne CN1CCN(c2nc(Nc3ccccc3)nc(Oc3cc(=O)oc4ccccc34)n2)CC1 ZINC000103207330 IG Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(Cc2ccc(OC)cc2)CN1C ZINC000103209556 IG Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C)c(OC)c1 ZINC000103211393 IG Annotated Anodyne COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C)c(OC)c1 ZINC000103211396 IG Annotated Anodyne O=c1n(S(=O)(=O)c2ccc(Cl)cc2)nc(Cc2ccccc2)n1Cc1ccco1 ZINC000103217373 IG Annotated Anodyne CCOC(=O)c1c(C)nn(-c2ccccc2)c1OCCCN1C(=O)c2ccccc2C1=O ZINC000103217595 IG Annotated Anodyne CCOC(=O)c1c(C)nn(-c2ccccc2)c1OCCCn1c(C)cc(C)c(C#N)c1=O ZINC000103217602 IG Annotated Mild Cc1ncccc1Nc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)C2CC2)c1C ZINC000103232117 IG Annotated Anodyne Cc1c(Nc2ccccc2C#N)ncnc1O[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)C1CC1 ZINC000103232118 IG Annotated Mild COc1ccc(CCn2c(=O)c3ccccc3c3nc4ccc(NCCO)cn4c32)cc1 ZINC000103232295 IG Annotated Bother CN(c1ccc(Cn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1)S(C)(=O)=O ZINC000103232330 IG Annotated Bother Cc1c(CC(=O)NCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000103232561 IG Annotated Clean CCNC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232800 IG Annotated Anodyne O=C1c2cccnc2C(=O)N1CCc1cc(Br)c(O)c(Br)c1 ZINC000103234320 IG Annotated Anodyne COc1cccc2c1C(=O)C1=C(C[C@H](Cn3cc(Cc4ccccc4)nn3)O[C@@H]1C)C2=O ZINC000103236788 IG Annotated Mild COc1cccc2c1C(=O)C1=C(C[C@H](Cn3cc(-c4ccccc4O)nn3)O[C@@H]1C)C2=O ZINC000103236817 IG Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000103236890 IG Annotated Clean C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=O)N(CCO)C3 ZINC000103237842 IG Annotated Anodyne Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nncn3C)n2-c2ccccc2)cc1 ZINC000103238690 IG Annotated Reactive C/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4/C(C)=C/C=C\[C@@H]3C(=O)N12 ZINC000103241634 IG Annotated Anodyne C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000103242045 IG Annotated Reactive C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC000103242097 IG Annotated Reactive COc1ccc(-c2nc3c(N4CCN(C)CC4)nc(C)nc3n2C2CCOCC2)c(C)c1 ZINC000103243446 IG Annotated Anodyne COCCn1c(-c2ccccc2Cl)nc2c(N3CCN(CCF)CC3)nc(C)nc21 ZINC000103243448 IG Annotated Anodyne COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246825 IG Annotated Anodyne COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246826 IG Annotated Anodyne COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103246828 IG Annotated Anodyne N#CC1CC(Oc2nc([C@H]3CCCO3)c(C(=O)NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)s2)C1 ZINC000103246831 IG Annotated Mild N#CC1CC(Oc2nc([C@H]3CCCO3)c(C(=O)NC3[C@H]4CC5C[C@@H]3CC(O)(C5)C4)s2)C1 ZINC000103246833 IG Annotated Mild N#CC1CC(Oc2nc([C@H]3CCCO3)c(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)s2)C1 ZINC000103246835 IG Annotated Mild O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 ZINC000103246836 IG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 ZINC000103246844 IG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2cccc4ccc(F)cc24)C3=O)cn1 ZINC000103247257 IG Annotated Anodyne COc1ccc2c(c1O)CCCC(C[C@H](O)CO)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247668 IG Annotated Anodyne COc1ccc2c(c1O)CCCC(C[C@@H](O)CO)=C2c1cc(OC)c(OC)c(OC)c1 ZINC000103247670 IG Annotated Anodyne c1cc2cc(-c3cnc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)cn3)[nH]c2cc1C1=NCCN1 ZINC000103251406 IG Annotated Anodyne C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cccnc3)ccc2Cl)C[C@H](C)O1 ZINC000103256220 IG Annotated Anodyne Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OC[C@H](O)CNC(=O)CO ZINC000103257878 IG Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](CNCc3cn(-c4ccc(C)c(C)c4)nn3)[C@@H]2CC1 ZINC000103259279 IG Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(S(=O)(=O)N(C)C)cc3)cc2n1 ZINC000103263086 IG Annotated Anodyne CNc1nc(NCCCN(C)C)c2sc(-c3ccc(NS(C)(=O)=O)cc3)cc2n1 ZINC000103263088 IG Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2=O)CC1 ZINC000103263392 IG Annotated Anodyne CCOC1=C(/C(C)=N/OCC(=O)Nc2ccccc2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264370 IG Annotated Mild CCOC1=C(/C(C)=N/OCC(=O)Nc2cccc(F)c2)N(C)S(=O)(=O)c2ccccc21 ZINC000103264372 IG Annotated Mild CC(C)[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000103265309 IG Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](C2CCOCC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265401 IG Annotated Anodyne CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(Cl)ccc21 ZINC000103266596 IG Annotated Anodyne CN1C[C@H](c2ncc[nH]2)[C@@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@]12C(=O)Nc1ccccc12 ZINC000103269842 IG Annotated Mild COc1cc(Cc2nnc(Nc3ccccc3)s2)c(S(=O)(=O)N(C)C)cc1OC ZINC000103271914 IG Annotated Anodyne CCOP(=O)(OCC)[C@H](O)CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 ZINC000103279791 IG Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 ZINC000103279794 IG Annotated Anodyne CCOP(=O)(C[C@H](O)Cn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC ZINC000103279890 IG Annotated Anodyne CCOP(=O)(C[C@@H](O)Cn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC ZINC000103279892 IG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1C/C(=N/NC(=O)c1ccncc1)c1ccc(Br)cc1 ZINC000103283914 IG Annotated Reactive CC(C)N1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CC1 ZINC000103286468 IG Annotated Anodyne CC(=O)OC[C@]12[C@@H](C=O)CCC[C@@H]1[C@@]1(C[C@H](c3ccoc3)OC1=O)[C@H](C)C[C@@H]2OC(C)=O ZINC000103289179 IG Annotated Mild O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103292069 IG Annotated Bother CN(C)CC(CSS(=O)(=O)c1ccccc1)CSS(=O)(=O)c1ccccc1 ZINC000103292694 IG Annotated Reactive O=C(Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103293446 IG Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(Cl)c3ncccc32)c1=O ZINC000103293449 IG Annotated Bother COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCOCC5)cc4c23)c1 ZINC000103297559 IG Annotated Anodyne O=C(NC/C=C/c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 ZINC000103298160 IG Annotated Anodyne CC(C)NC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298557 IG Annotated Anodyne CC(C)NC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298560 IG Annotated Anodyne COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C ZINC000103298622 IG Annotated Anodyne COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C ZINC000103298624 IG Annotated Anodyne CCCN(CCC)c1cccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)c1 ZINC000103301297 IG Annotated Anodyne O=C1CCCC2=C1[C@H](c1cc(Br)c(F)cc1O)C1=C(CCS1(=O)=O)N2 ZINC000103303473 IG Annotated Mild CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2ccc(Cl)cc2)CC1)=C(/O)OCC ZINC000103351215 IG Annotated Reactive CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2c(C)cccc2C)CC1)=C(/O)OCC ZINC000103351369 IG Annotated Reactive CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 ZINC000103524811 IG Annotated Anodyne in-vitro biogenic COCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529262 IG Annotated Anodyne COCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103529272 IG Annotated Anodyne COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)N3C[C@H]4CC[C@H]3C4)c21 ZINC000103529843 IG Annotated Anodyne COc1c(O)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533355 IG Annotated Anodyne in-vitro biogenic Cc1cccc(CCNC(=O)c2ccc(C/N=c3/c(N4CCCCC4)c(O)c3=O)cc2)c1 ZINC000103586722 IG Annotated Anodyne Cc1ccc(C2=NN=C(NC(=O)CSc3n[nH]c4c5ccccc5nc-4n3)SC2)cc1 ZINC000103592319 IG Annotated Anodyne Cc1nnc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3Cl)c(N)c1-2 ZINC000103622995 IG Annotated Anodyne Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2nnc(C)c-2c1N ZINC000103623117 IG Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 ZINC000103623143 IG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 ZINC000103623146 IG Annotated Anodyne CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2nnc(C)c-2c1N ZINC000103623182 IG Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCCOC ZINC000103623192 IG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCCOC ZINC000103623197 IG Annotated Anodyne CCCCNC(=O)[C@@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000103623269 IG Annotated Anodyne CCCCNC(=O)[C@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 ZINC000103623274 IG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1ccc(OC)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639799 IG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1ccc(OC)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639807 IG Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccc(F)c(F)c1)N1CCc2ccccc21 ZINC000103671737 IG Annotated Anodyne O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21 ZINC000103693847 IG Annotated Anodyne Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCCc5ccccc54)nc2-3)cc1 ZINC000103693859 IG Annotated Anodyne O=C(c1ccccc1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1 ZINC000103743634 IG Annotated Anodyne COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCc2ccncc2)cc1 ZINC000103764127 IG Annotated Clean O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000103766036 IG Annotated Bother Cc1ccc(N2C(=O)C[C@H](N3CCN/C3=C3\CC/C(=C\c4ccccc4)C3=O)C2=O)cc1 ZINC000103788726 IG Annotated Mild Cc1ccc(N2C(=O)C[C@@H](N3CCN/C3=C3\CC/C(=C\c4ccccc4)C3=O)C2=O)cc1 ZINC000103788731 IG Annotated Mild CCN(CCCNC(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O)c1cccc(C)c1 ZINC000103815687 IG Annotated Anodyne CCOC1=C/C(=C/C(C(=O)N2CCOCC2)=C2Nc3ccccc3N2)C=C(Cl)C1=O ZINC000103822078 IG Annotated Mild O=C(CCS(=O)(=O)c1ccccc1)NC1=CC(=O)/C(=C2/Nc3ccccc3S2)C=C1 ZINC000103823131 IG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000103864486 IG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3cccnc3)ccc2O1 ZINC000103864490 IG Annotated Mild COc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCC(C)CC3)c(O)c2=O)CC1 ZINC000103902591 IG Annotated Anodyne COc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)cc1Cl ZINC000103902791 IG Annotated Anodyne COc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)cc1 ZINC000103902800 IG Annotated Anodyne COc1ccc(C)cc1NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1 ZINC000103902881 IG Annotated Anodyne CCNC(=O)c1c(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)sc2c1CCCC2 ZINC000103918068 IG Annotated Mild CCN1C(SCC(=O)N2CCN(c3ccccc3)CC2)=NN/C1=C1\C=Nc2ccccc21 ZINC000103918386 IG Annotated Anodyne Cc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103919676 IG Annotated Mild Cc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000103919681 IG Annotated Mild Cc1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000103919686 IG Annotated Mild Cc1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000103919691 IG Annotated Mild CCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000103940858 IG Annotated Anodyne CCSc1nc(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 ZINC000103940863 IG Annotated Anodyne CC(=O)/N=C1/N(/C=C2/C(=O)Oc3ccccc3C2=O)C(=O)/C(=C\c2ccccc2Cl)N1C ZINC000103942463 IG Annotated Mild O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000103968153 IG Annotated Anodyne O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000103968158 IG Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)nc2-3)c1 ZINC000103969647 IG Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)C5CCCCC5)C4)nc2-3)c1 ZINC000103969652 IG Annotated Anodyne COc1ccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)cc1 ZINC000103976170 IG Annotated Anodyne CCc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2nncc-2c1O ZINC000103976258 IG Annotated Anodyne CCc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nncc-3c2O)cc1 ZINC000103976769 IG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103982777 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103982781 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103982785 IG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000103982791 IG Annotated Mild CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@@H](O)[C@H]1c1ccc(OC)cc1 ZINC000104000511 IG Annotated Anodyne CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@@H](O)[C@@H]1c1ccc(OC)cc1 ZINC000104000515 IG Annotated Anodyne CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@H](O)[C@H]1c1ccc(OC)cc1 ZINC000104000520 IG Annotated Anodyne CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@H](O)[C@@H]1c1ccc(OC)cc1 ZINC000104000523 IG Annotated Anodyne CCN1C(SCC(=O)Nc2ccc3c(c2)OCCO3)=NN/C1=C1/C=Nc2ccccc21 ZINC000104006256 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C=C(C)C=C(Br)C2=O)cc1 ZINC000104006577 IG Annotated Mild CCc1nnc(NC(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2c2ccccc2)s1 ZINC000104008773 IG Annotated Mild CCOc1cc([C@@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104009217 IG Annotated Mild CCOc1cc([C@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104009222 IG Annotated Mild COc1ccc([C@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000104009241 IG Annotated Mild COc1ccc([C@@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000104009246 IG Annotated Mild O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010572 IG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010583 IG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000104013641 IG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1OC ZINC000104013646 IG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000104013651 IG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000104013657 IG Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nc(O)nc(O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104015881 IG Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nc(O)nc(O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000104015888 IG Annotated Mild CCNC(=O)c1c(NC(=O)C2=C/C(=C3/C=CC(C)=C(C)C3=O)NN2)sc2c1CCCC2 ZINC000104019932 IG Annotated Mild O=C1C=C(NC(=O)c2cc(-n3cnnc3)ccc2Cl)C=C/C1=C1/Nc2ccccc2O1 ZINC000104025304 IG Annotated Mild CC1=CC(=O)/C(=C2/NNC3=C2[C@@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)C=C1Cl ZINC000104027814 IG Annotated Mild CC1=CC(=O)/C(=C2/NNC3=C2[C@H](c2cccc(O)c2)N(Cc2cccnc2)C3=O)C=C1Cl ZINC000104027817 IG Annotated Mild CC(C)OCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@H]1c1cccc(Cl)c1 ZINC000104027906 IG Annotated Mild CC(C)OCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)[C@@H]1c1cccc(Cl)c1 ZINC000104027909 IG Annotated Mild COc1ccc(N/C(C)=C2/C(=O)C(=O)N(CCO)[C@H]2c2ccc(Br)cc2)cc1 ZINC000104028022 IG Annotated Mild COc1ccc(N/C(C)=C2/C(=O)C(=O)N(CCO)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000104028025 IG Annotated Mild O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1=NC2=N[C@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 ZINC000104028088 IG Annotated Anodyne C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccco3)ccc2O1 ZINC000104028148 IG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccco3)ccc2O1 ZINC000104028152 IG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccco3)ccc2O1 ZINC000104028155 IG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccco3)ccc2O1 ZINC000104028158 IG Annotated Mild CCSc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)s1 ZINC000104036538 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O ZINC000104052611 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O ZINC000104052616 IG Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(Br)c1)C1=C(O)c3ccccc3C1=N2 ZINC000104079786 IG Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(Br)c1)C1=C(O)c3ccccc3C1=N2 ZINC000104079790 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000104111006 IG Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000104111011 IG Annotated Mild Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)c1 ZINC000104179563 IG Annotated Anodyne Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)c1 ZINC000104179567 IG Annotated Anodyne CC(C)c1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2 ZINC000104227119 IG Annotated Clean Cc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccc(Br)cc1)N=2 ZINC000104233123 IG Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000104554034 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000104554039 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000104554048 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000104554057 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000104554124 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000104554131 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000104554137 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000104554145 IG Annotated Anodyne Cc1ccc(N2C(=O)C[C@H](N(C(=O)CSc3ncccn3)C3CCCCC3)C2=O)cc1 ZINC000104685717 IG Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000105236910 IG Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1OC ZINC000105518598 IG Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1OC ZINC000105518603 IG Annotated Anodyne COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000105518670 IG Annotated Anodyne COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000105518676 IG Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@@H](C)O)C1=O ZINC000105576332 IG Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)C=C(N[C@H](C(=O)O)[C@H](C)O)C1=O ZINC000105576334 IG Annotated Mild O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000109735593 IG Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)[C@@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000109735597 IG Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000109735600 IG Annotated Anodyne O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccc(F)c2)[C@H]1C(=O)c1ccc2c(c1)OCO2 ZINC000109735604 IG Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000110505390 IG Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000110505394 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110737815 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110737819 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110737822 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 ZINC000110737825 IG Annotated Anodyne CCOc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000110757280 IG Annotated Anodyne CCOc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000110757284 IG Annotated Anodyne CCOc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000110757287 IG Annotated Anodyne CCOc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000110757290 IG Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110824939 IG Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110824942 IG Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110824945 IG Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC ZINC000110824949 IG Annotated Anodyne CC(/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111329453 IG Annotated Mild CC(/C=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111329456 IG Annotated Mild CC(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111329457 IG Annotated Mild CC(/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000111329460 IG Annotated Mild Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC[C@@H]1C2 ZINC000113109820 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC[C@H]1C2 ZINC000113109823 IG Annotated Anodyne O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2cc(OC[C@H](O)CO)ccc2[nH]1 ZINC000113145796 IG Annotated Anodyne O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2cc(OC[C@@H](O)CO)ccc2[nH]1 ZINC000113145799 IG Annotated Anodyne Cc1n[nH]c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)nc3[nH]2)ccn1 ZINC000113146075 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113223165 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113223167 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@@H]1CC[C@H](C2)N1 ZINC000113223169 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 ZINC000113223170 IG Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)nc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113225589 IG Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)nc31)[C@H]1CC[C@@H](C2)N1 ZINC000113225591 IG Annotated Anodyne COc1cc2ncc3c(c2cc1-c1ccnn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412896 IG Annotated Anodyne COc1cc2ncc3c(c2cc1-c1cnn(C)c1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113415220 IG Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCN(C)C3=O)nn12 ZINC000113421011 IG Annotated Anodyne Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2n1 ZINC000113421787 IG Annotated Anodyne Cc1cc(C)n2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2c1 ZINC000113422433 IG Annotated Anodyne COc1cn(-c2ccc(N3CCOC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O ZINC000114005334 IG Annotated Anodyne in-vitro COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1 ZINC000114017643 IG Annotated Anodyne CCN1CC[C@H](C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C1 ZINC000114345131 IG Annotated Anodyne CCN1CC[C@@H](C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C1 ZINC000114345133 IG Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(C#N)nc2)c1 ZINC000114345248 IG Annotated Mild NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4cc(C5CC5)n[nH]4)c3)ncnc12 ZINC000114348044 IG Annotated Anodyne Cc1cnc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 ZINC000114348562 IG Annotated Anodyne Cc1cnc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 ZINC000114348564 IG Annotated Anodyne NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]cnc5c4)c3)ncnc12 ZINC000114348605 IG Annotated Anodyne CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 ZINC000114348749 IG Annotated Anodyne COc1ccc(CNS(=O)(=O)c2ccc3nc(-c4c(C)n[nH]c4N)sc3c2)cc1 ZINC000114398995 IG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCC(O)CC4)CC3)cc12 ZINC000114710587 IG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(C(=O)NCCO)nc3)cc12 ZINC000114711033 IG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](CN4C(=O)CNC4=O)C3)cc12 ZINC000114711046 IG Annotated Anodyne O=C1CN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)CCN1 ZINC000114711976 IG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@@H]3CC[C@@H](N4CCOCC4)CC3)cc12 ZINC000114712862 IG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(CN4CCOCC4)CC3)cc12 ZINC000114713748 IG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)NCC(C)(C)CN3C(=O)CNC3=O)cc12 ZINC000114714432 IG Annotated Anodyne CCOc1cc([C@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000114755143 IG Annotated Bother Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@H](CN4C(=O)CNC4=O)C3)cc12 ZINC000114765367 IG Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1 ZINC000114771976 IG Annotated Anodyne COc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C ZINC000114806108 IG Annotated Anodyne O=S(=O)(CCCF)NCCOc1ccc2c(c1)[C@@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114978501 IG Annotated Anodyne O=S(=O)(CCCF)NCCOc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114978503 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114981422 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114981424 IG Annotated Anodyne COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1 ZINC000114997042 IG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 ZINC000011783524 IG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 ZINC000011783525 IG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 ZINC000011783526 IG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 ZINC000011783527 IG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000011784662 IG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2cc(C4CC4)n[nH]2)C3)cc1 ZINC000011784663 IG Annotated Anodyne COc1ccc(CN2CCOc3ccc(CN4CCCC[C@@H]4CO)cc3C2)c(OC)c1 ZINC000011788213 IG Annotated Anodyne CC[C@@H]1CN(CCC(=O)N(C)Cc2n[nH]c3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000011789531 IG Annotated Anodyne CC[C@H]1CN(CCC(=O)N(C)Cc2n[nH]c3c2CCCC3)Cc2cc(OC)ccc2O1 ZINC000011789532 IG Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011814082 IG Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000011814085 IG Annotated Anodyne O=C(c1nc2ccc(Cl)cn2c1CN1CCC(CO)CC1)N1CCc2ccccc2C1 ZINC000011819708 IG Annotated Anodyne COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCC(C)(C)CN(C)C)c3C)nc1-2 ZINC000011839566 IG Annotated Anodyne COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccon4)c3C3CC3)n2)cc1F ZINC000011868952 IG Annotated Anodyne Cn1nccc1C(=O)NC[C@@H]1CCC2(CCN(Cc3c(O)ccc4ccccc34)CC2)O1 ZINC000011911213 IG Annotated Clean Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3c(O)ccc4ccccc34)CC2)O1 ZINC000011911214 IG Annotated Clean Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000011911464 IG Annotated Anodyne Cc1cnc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)/C=C/c2cccs2)C3)cn1 ZINC000011913012 IG Annotated Anodyne COC[C@@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnn(C(C)C)c2)CCO3)C1 ZINC000011969607 IG Annotated Anodyne COC[C@H]1CCCN(Cc2ccc3c(c2)CN(C(=O)c2cnn(C(C)C)c2)CCO3)C1 ZINC000011969619 IG Annotated Anodyne COC(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 ZINC000011971348 IG Annotated Anodyne COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 ZINC000011971359 IG Annotated Anodyne CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000011996548 IG Annotated Anodyne CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000011996549 IG Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3 ZINC000115007305 IG Annotated Anodyne CN1CCc2c(n(C)c3cc(N4CCN(CCc5ccc(F)cc5)CC4=O)ccc23)CC1 ZINC000115008844 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CCNCC2 ZINC000115009588 IG Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CCNCC2 ZINC000115011277 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CCNCC2 ZINC000115011440 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2 ZINC000115014325 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)nc4=O)cc31)CCNCC2 ZINC000115016557 IG Annotated Anodyne O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000115097031 IG Annotated Anodyne Nc1ncc(-c2cc(N[C@@H]3CC[C@@H](N)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000115457912 IG Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3nc4ccccc4[nH]3)c2c1=O ZINC000115622274 IG Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)CC1 ZINC000115622487 IG Annotated Anodyne CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2F)CC1 ZINC000115622895 IG Annotated Anodyne COCCNc1nc(-c2ccc(C3CCN(C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 ZINC000115624094 IG Annotated Anodyne Cc1csc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3ncn(C)c(=O)c23)n1 ZINC000115625072 IG Annotated Anodyne CC(C)Nc1nc(-c2ccc(CCNC3CCN(C)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115625310 IG Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 ZINC000115625545 IG Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(CO)s3)c2c1=O ZINC000115625738 IG Annotated Anodyne CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2C)CC1 ZINC000115625967 IG Annotated Anodyne Cc1cc(-c2cc3ncn(C)c(=O)c3c(N[C@@H]3CCOC3)n2)ccc1C1CCN(C)CC1 ZINC000115626335 IG Annotated Anodyne O=c1[nH]c2ccc(N3CCOCC3)cc2n(C2CCN(C3CCCCCCC3)CC2)c1=O ZINC000115712377 IG Annotated Anodyne Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccnc(N)c5)nc4C)ccc3[nH]2)n1 ZINC000115832457 IG Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccnc(C#N)c5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833868 IG Annotated Mild Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccc(N)nc5)nc4C)ccc3[nH]2)n1 ZINC000115836796 IG Annotated Anodyne CS(=O)(=O)NC(=O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000115920952 IG Annotated Reactive C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000115977358 IG Annotated Mild COc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000115990389 IG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3cc(F)c(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116184300 IG Annotated Anodyne CC(C)[C@H]1CN(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 ZINC000116185743 IG Annotated Anodyne O=C1OC[C@H](C2CCOCC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185924 IG Annotated Anodyne O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185986 IG Annotated Anodyne O=C1OC[C@H](c2cccnc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186165 IG Annotated Anodyne O=C1OC[C@@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186932 IG Annotated Anodyne O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116186933 IG Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@@H]3C2)n1 ZINC000116822258 IG Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@@H]3C2)n1 ZINC000116822260 IG Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@H]3C2)n1 ZINC000116822261 IG Annotated Anodyne COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F ZINC000116825605 IG Annotated Anodyne COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 ZINC000116825628 IG Annotated Anodyne COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 ZINC000116825630 IG Annotated Anodyne COc1cc(OC)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 ZINC000116825632 IG Annotated Anodyne COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F ZINC000116825656 IG Annotated Anodyne NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(Cl)(Cl)CC3)CC1)C2 ZINC000117413684 IG Annotated Anodyne COc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)n1 ZINC000117510816 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2 ZINC000117514618 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](NC(=O)COc1cc(C)c3c(C4CC4)nn(C)c3n1)CC2 ZINC000117514621 IG Annotated Anodyne Cn1cnc2c(Nc3n[nH]c4c3CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C4(C)C)ncnc21 ZINC000117603190 IG Annotated Anodyne O=C(c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 ZINC000117619328 IG Annotated Anodyne O=C(c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 ZINC000117619332 IG Annotated Anodyne O[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)CC1 ZINC000117683794 IG Annotated Anodyne CC1(C#Cc2cnc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1 ZINC000117741467 IG Annotated Anodyne in-vitro O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC[C@H](O)C1 ZINC000118388606 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC[C@@H](O)C1 ZINC000118388657 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)[C@H]1CC[C@H](O)C1 ZINC000118393895 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC(O)C1 ZINC000118394057 IG Annotated Anodyne CC1(O)CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)C1 ZINC000118395436 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(Cl)c3)nc12)N1CC[C@H](O)C1 ZINC000118396090 IG Annotated Anodyne COC1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1 ZINC000118398944 IG Annotated Anodyne C[C@]1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCN1 ZINC000118399433 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CC(O)C1 ZINC000118400315 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1C[C@@H]2C[C@H]1CO2 ZINC000118400570 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)[C@H]1CC[C@@H](O)C1 ZINC000118402360 IG Annotated Anodyne O=C(O)C1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118402800 IG Annotated Anodyne COC(=O)C1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118402851 IG Annotated Anodyne C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCN1 ZINC000118403141 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CCOCC1 ZINC000118403301 IG Annotated Anodyne Cn1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cc1=O ZINC000118403445 IG Annotated Anodyne CN1CCN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 ZINC000118408946 IG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(Cl)c3)nc12)N1CC(O)C1 ZINC000118411228 IG Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1COCC[C@H]1N1C[C@H]2C[C@H]2C1 ZINC000118625151 IG Annotated Anodyne COc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)c(F)c2)cc1 ZINC000118709820 IG Annotated Anodyne CC(C)(NC(=O)c1cnco1)C(=O)Nc1nc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 ZINC000118719010 IG Annotated Anodyne Cc1nc2cnccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000118908423 IG Annotated Anodyne CC(C)C[C@@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@H]1[C@H]3[C@H](CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)[C@@H]3O ZINC000118919988 IG Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 ZINC000012021869 IG Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 ZINC000012021879 IG Annotated Anodyne Cc1ncoc1C(=O)N1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012023257 IG Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012026545 IG Annotated Anodyne CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O ZINC000012026548 IG Annotated Anodyne CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012026552 IG Annotated Anodyne CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O ZINC000012026557 IG Annotated Anodyne CSc1ccccc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)[C@@H]2CCCO2)C1 ZINC000012028034 IG Annotated Anodyne CSc1ccccc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)[C@H]2CCCO2)C1 ZINC000012028037 IG Annotated Anodyne COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1coc3ccccc3c1=O)CCO2 ZINC000012029468 IG Annotated Anodyne COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 ZINC000012031168 IG Annotated Anodyne COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 ZINC000012031172 IG Annotated Anodyne COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3ccc(F)cc3)CCC(=O)N2)cc1OC ZINC000012036361 IG Annotated Anodyne COc1ccc(C[C@]2(CCC(=O)N(C)Cc3ccc(F)cc3)CCC(=O)N2)cc1OC ZINC000012036364 IG Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000012072769 IG Annotated Anodyne COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NC2CC(C)(C)CC(C)(C)C2)cc1OC ZINC000012072771 IG Annotated Anodyne O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 ZINC000012077975 IG Annotated Anodyne O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 ZINC000012077977 IG Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000012078092 IG Annotated Anodyne Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 ZINC000012078094 IG Annotated Anodyne COC(=O)c1ccc(C(=O)NC[C@@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)cc1 ZINC000012079536 IG Annotated Anodyne COC(=O)c1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)cc1 ZINC000012079537 IG Annotated Anodyne COc1ccc2cc(CN[C@@H]3CCS(=O)(=O)C3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000012080146 IG Annotated Anodyne COc1ccc2cc(CN[C@H]3CCS(=O)(=O)C3)c(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000012080147 IG Annotated Anodyne COc1ccc(N2CCN(C(=O)CC[C@@]3(Cc4ccc(F)cc4)CCC(=O)N3)CC2)cc1 ZINC000012097825 IG Annotated Clean COc1ccc(N2CCN(C(=O)CC[C@]3(Cc4ccc(F)cc4)CCC(=O)N3)CC2)cc1 ZINC000012097828 IG Annotated Clean Cc1ncc2c(c1CNC(=O)CN1CCCCC1)CCN(C(=O)c1cc3ccccc3o1)C2 ZINC000012125453 IG Annotated Anodyne O=C(c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1)N1CCOCC1 ZINC000012126561 IG Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4COCCO4)c3C3CC3)n2)c(C)s1 ZINC000012128403 IG Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@H]4COCCO4)c3C3CC3)n2)c(C)s1 ZINC000012128416 IG Annotated Anodyne NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1 ZINC000012153009 IG Annotated Anodyne in-vivo CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)C1 ZINC000012162110 IG Annotated Anodyne CN(C)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)C1 ZINC000012162118 IG Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 ZINC000012217254 IG Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 ZINC000012217255 IG Annotated Anodyne Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 ZINC000012217256 IG Annotated Anodyne Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 ZINC000012217257 IG Annotated Anodyne COc1cccc(C[C@@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 ZINC000012244568 IG Annotated Anodyne COc1cccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 ZINC000012244569 IG Annotated Anodyne COc1cccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 ZINC000012244570 IG Annotated Anodyne COc1cccc(C[C@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 ZINC000012244571 IG Annotated Anodyne COC1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)CC1 ZINC000012316316 IG Annotated Anodyne C/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1 ZINC000012342848 IG Annotated Reactive O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1csc(Cl)c1)NN1CCOCC1 ZINC000012355146 IG Annotated Anodyne CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Cl)c1)C(=O)O ZINC000012358230 IG Annotated Anodyne CCO[C@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Cl)c1)C(=O)O ZINC000012358231 IG Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCO)C1=O ZINC000012358410 IG Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCO)C1=O ZINC000012358411 IG Annotated Anodyne C[C@@H](O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358414 IG Annotated Anodyne C[C@H](O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358415 IG Annotated Anodyne C[C@@H](O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358416 IG Annotated Anodyne C[C@H](O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358417 IG Annotated Anodyne O=C(Nc1ccccc1Cl)Nc1ccnn1C1CCN(C(=O)CCN2CCCO2)CC1 ZINC000012373633 IG Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c(OC)n1 ZINC000012429566 IG Annotated Anodyne COc1ccc(C(=O)N2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c(OC)n1 ZINC000012429567 IG Annotated Anodyne COc1ccc2[nH]c(CCN(C)C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 ZINC000012433566 IG Annotated Anodyne COc1ccc2[nH]c(CCN(C)C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 ZINC000012433567 IG Annotated Anodyne COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@H](c1cccnc1)N1CCCCC1)C2 ZINC000012457454 IG Annotated Anodyne COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@@H](c1cccnc1)N1CCCCC1)C2 ZINC000012457456 IG Annotated Anodyne Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000012465988 IG Annotated Anodyne C[C@@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000012466099 IG Annotated Anodyne C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000012466104 IG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000012469598 IG Annotated Clean C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)C2=O ZINC000012470320 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000012477703 IG Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@@](C)=O ZINC000012479470 IG Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@](C)=O ZINC000012479474 IG Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000012479502 IG Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000012479548 IG Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 ZINC000012479627 IG Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 ZINC000012480072 IG Annotated Anodyne O=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000012482558 IG Annotated Anodyne COc1ccc(CN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)N2CCOCC2)cc1 ZINC000012493080 IG Annotated Anodyne OCCOCCn1c([C@@H](CO)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc21 ZINC000012507244 IG Annotated Anodyne OCCOCCn1c([C@H](CO)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc21 ZINC000012507246 IG Annotated Anodyne Cc1nn(C)c(C)c1CN(C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1)C(C)C ZINC000012572149 IG Annotated Anodyne CCCN1CCN(c2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000012605671 IG Annotated Anodyne COc1cccc(/N=C2/NN=C(c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CS2)c1 ZINC000012607906 IG Annotated Mild COc1cccc(/N=C2/NN=C(c3ccc4c(c3)C[C@@H](C)N4S(C)(=O)=O)CS2)c1 ZINC000012607908 IG Annotated Mild NC(=O)c1ccc(NC(=O)COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 ZINC000012652099 IG Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccccc3)N2C[C@@H]1Cc1ccc(OC)cc1 ZINC000012727116 IG Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](Cc3ccccc3)N2C[C@@H]1Cc1ccc(OC)cc1 ZINC000012727117 IG Annotated Anodyne O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000012728425 IG Annotated Reactive O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012729248 IG Annotated Mild COc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 ZINC000012744220 IG Annotated Anodyne COc1ccc(CCN2C[C@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 ZINC000012744224 IG Annotated Anodyne Cc1ccccc1CC(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012836046 IG Annotated Anodyne Cc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000012836050 IG Annotated Anodyne COc1cccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)c1 ZINC000012873324 IG Annotated Anodyne COc1cccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)c1 ZINC000012873331 IG Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)[C@@]2(C)CC(=O)N=C3C=CC=CN32)c1 ZINC000012880171 IG Annotated Anodyne Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)[C@]2(C)CC(=O)N=C3C=CC=CN32)c1 ZINC000012880179 IG Annotated Anodyne CCCCN(C(=O)c1cc(Cl)nc2ccccc12)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000012979100 IG Annotated Anodyne Cc1n[nH]c(=O)c2c(NC(=O)COC(=O)/C=C/c3cccc(C(F)(F)F)c3)oc(C)c12 ZINC000013006048 IG Annotated Anodyne CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccc(-c4ccccc4)cc3)nc2s1 ZINC000013059029 IG Annotated Mild COc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086259 IG Annotated Anodyne COc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086261 IG Annotated Anodyne COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086263 IG Annotated Anodyne COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 ZINC000013086265 IG Annotated Anodyne O=C(O)COc1ccc(/C=N\n2c(COc3ccccc3)nc3ccccc3c2=O)cc1 ZINC000013108353 IG Annotated Mild CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)NC4CCCC4)c3n2)CC1 ZINC000013118802 IG Annotated Anodyne Cc1ccc(Nc2nc(NN/C=C3\C=Nc4ccccc43)nc(N3CCOCC3)n2)cc1 ZINC000013119064 IG Annotated Anodyne O=C1C=C/C(=C\NNc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)C(O)=C1 ZINC000013119098 IG Annotated Mild COC1=C/C(=C/C(C#N)=C2/NC(c3cc4ccccc4oc3=O)=CS2)C=C([N+](=O)[O-])C1=O ZINC000013119176 IG Annotated Reactive C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(O)cc1O ZINC000013119185 IG Annotated Reactive CC1=C/C(=C\Nn2c(COc3ccccc3)nc3ccccc3c2=O)C(=O)C([N+](=O)[O-])=C1 ZINC000013119205 IG Annotated Mild Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c(C)cc1Br ZINC000013120096 IG Annotated Reactive O=C1C(Br)=CC([N+](=O)[O-])=C/C1=C\NNC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2 ZINC000013120134 IG Annotated Reactive CC1=C/C(=C\Nn2c(COc3ccccc3C)nc3ccccc3c2=O)C(=O)C([N+](=O)[O-])=C1 ZINC000013122101 IG Annotated Mild C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N/C=C2\C(=O)C=Cc3ccccc32)C1=O ZINC000013122120 IG Annotated Mild C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(N/C=C2\C(=O)C=Cc3ccccc32)C1=O ZINC000013122121 IG Annotated Mild O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 ZINC000013122200 IG Annotated Reactive CC(C)N1C(=O)/C(=N\NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 ZINC000013122323 IG Annotated Reactive O=C(NN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 ZINC000013123143 IG Annotated Reactive CSc1nc2n(n1)[C@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 ZINC000013123727 IG Annotated Anodyne CSc1nc2n(n1)[C@@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 ZINC000013123728 IG Annotated Anodyne O=C(CSC1=NN/C(=C2/C=CC=CC2=O)N1c1ccccc1)Nc1cccc(C(=O)O)c1 ZINC000013124525 IG Annotated Mild COC1=C/C(=C/Nn2c(COc3ccccc3)n[nH]c2=S)C=C(Br)C1=O ZINC000013124845 IG Annotated Mild COC1=C/C(=C/NN2CCN(Cc3ccc(Cl)cc3)CC2)C=C(Br)C1=O ZINC000013124960 IG Annotated Mild CN(C)c1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 ZINC000013125205 IG Annotated Reactive COc1ccc(C2=NN=C/C2=C\NNC(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000013125706 IG Annotated Reactive Cc1nc2ccccc2c(=O)n1N/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013125947 IG Annotated Mild O=c1c(/C=N/Nc2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 ZINC000013139004 IG Annotated Mild CCCCn1c(=NC(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 ZINC000013144847 IG Annotated Anodyne COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150663 IG Annotated Anodyne COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150664 IG Annotated Anodyne COc1cccc(N(C(=O)[C@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150665 IG Annotated Anodyne COc1cccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 ZINC000013150666 IG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150667 IG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150668 IG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150669 IG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1 ZINC000013150670 IG Annotated Anodyne Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1 ZINC000013150910 IG Annotated Anodyne O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 ZINC000013152802 IG Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccs1 ZINC000013153041 IG Annotated Anodyne COC(=O)Cc1c(/C=C/C(C)(C)n2cnc(CCN3C(=O)CCC3=O)c2)[nH]c2ccccc12 ZINC000013219778 IG Annotated Anodyne CCCCC(=O)Nc1ccc2cc(C(=O)OC)c(ON3C(=O)c4ccccc4C3=O)nc2n1 ZINC000013223283 IG Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000013298515 IG Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2[C@@H](OC(C)=O)C=C3C(=O)OC[C@H]3[C@]12C=O ZINC000013339382 IG Annotated Mild C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O ZINC000013367869 IG Annotated Anodyne CC/C=C\C=C/C(=O)N/C=C\C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 ZINC000013370531 IG Annotated Anodyne COc1c(O)c(C)c(O)c2c1C(=O)c1c(cc(O)c3c1[C@@H](c1ccccc1)OC3=O)C2=O ZINC000013375665 IG Annotated Clean CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)[C@H](O)[C@@H](O)C(C)(C)O5)O1 ZINC000013382571 IG Annotated Bother CC1(C)C=Cc2c(cc3oc4c5c(c(O)cc4c(=O)c3c2O)O[C@H](C(C)(C)O)[C@H]5O)O1 ZINC000013382729 IG Annotated Bother C=C(C)[C@H]([C@@H]1C=C(CCC(C(=O)/N=C/N(C)C)=C(C)C)C(=O)O1)[C@@]1(OC)C=C(C)C(=O)O1 ZINC000013384189 IG Annotated Mild CO[C@]12C=C3C(=O)c4c(O)cc(O)cc4O[C@]34[C@H](C1)C(C)(C)O[C@]4(CC=C(C)C)C2=O ZINC000013404652 IG Annotated Mild in-vitro biogenic COc1c(Br)cc(Br)c(CCNC[C@H](C)O)c1Br ZINC000013407385 IG Annotated Anodyne COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(C)=O)[C@H](C)[C@H](C)CC3=C1)OCO5 ZINC000013433118 IG Annotated Mild Nc1ncnc2cc(CN3CCN(Cc4nc5cc(Cl)ccc5s4)CC3=O)ccc12 ZINC000013439861 IG Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5s4)CC3=O)ccc12 ZINC000013439863 IG Annotated Anodyne CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2 ZINC000013450171 IG Annotated Anodyne COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000013462835 IG Annotated Anodyne COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000013462837 IG Annotated Anodyne COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000013462839 IG Annotated Anodyne COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000013462845 IG Annotated Anodyne COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(OC)c1O ZINC000013462847 IG Annotated Anodyne COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1C(=O)c1ccc(Br)cc1 ZINC000013472845 IG Annotated Anodyne CN1CCC(c2c(O)cc(O)c3c2O/C(=C\c2ccc(N4CCN(C)CC4)cc2)C3=O)CC1 ZINC000013473133 IG Annotated Mild CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 ZINC000013474065 IG Annotated Anodyne Cc1nc(C(=O)NC2CCOCC2)sc1[C@@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000013478230 IG Annotated Bother Cc1nc(C(=O)NC2CCOCC2)sc1[C@]1(C)CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000013478233 IG Annotated Bother O=C(NCc1ccco1)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000013478413 IG Annotated Bother C/C=C(\C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478571 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478573 IG Annotated Anodyne CC/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478691 IG Annotated Anodyne CC/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478694 IG Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478807 IG Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 ZINC000013478810 IG Annotated Anodyne C/C=C(\C)C(=O)O[C@H](C)[C@](C)(O)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 ZINC000013480095 IG Annotated Anodyne O=C(O)C[C@H](NC(=O)Cc1cccc(CCc2ccc3c(n2)NCCC3)c1)c1cccnc1 ZINC000013489936 IG Annotated Anodyne Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1C ZINC000013501546 IG Annotated Anodyne Cc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000013511780 IG Annotated Anodyne COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12 ZINC000013519832 IG Annotated Anodyne COc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1 ZINC000013519855 IG Annotated Anodyne CCOC(=O)C1CCN(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)CC1 ZINC000013530479 IG Annotated Anodyne Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4c(c3c21)C(=O)NC4=O ZINC000013535153 IG Annotated Bother Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C(C)(C)C(=O)N3CCCCC3)ccc21 ZINC000013535250 IG Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3C)N2CCNC(=O)CCC2CCCCC2)cc1 ZINC000013545592 IG Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@H]3C)N2CCNC(=O)CCC2CCCCC2)cc1 ZINC000013545662 IG Annotated Anodyne CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 ZINC000013553977 IG Annotated Anodyne CCOP(=O)(CCNC(=O)[C@H]1Cc2cc3c(cc2C(=O)[C@H](C)S1)OCO3)OCC ZINC000013556830 IG Annotated Anodyne COc1ccccc1CCN/C(N)=N/c1nc(-c2cc(C)c(CNC(C)=O)o2)cs1 ZINC000013557281 IG Annotated Mild COc1ccccc1CCN/C(N)=N/c1nc(-c2cc(CNC(C)=O)c(C)o2)cs1 ZINC000013557283 IG Annotated Mild Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000013561152 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O ZINC000013561153 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000013561154 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000013561155 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000013561184 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000013561188 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000013561192 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000013561193 IG Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000013570930 IG Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 ZINC000013570932 IG Annotated Anodyne CC(C)(C)c1ccc(OC[C@@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000013572432 IG Annotated Anodyne CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 ZINC000013572435 IG Annotated Anodyne CC[C@@H](CO)/N=C1\CC(C)(C)CC(O)=C1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000013572844 IG Annotated Mild CC[C@H](CO)/N=C1\CC(C)(C)CC(O)=C1C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000013572846 IG Annotated Mild C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(I)c1 ZINC000013581017 IG Annotated Mild Cc1ccc(CCN(CCC(=O)Nc2cnc3ccccc3c2)C(=O)[C@H](N)CCCN)cc1 ZINC000013587006 IG Annotated Anodyne COC(=O)c1ccc(NS(=O)(=O)c2sc3ccccc3c2C)c(S(C)(=O)=O)c1 ZINC000013587576 IG Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc(CO)cc2S(C)(=O)=O)sc2ccc(F)cc12 ZINC000013587578 IG Annotated Anodyne CCOC(=O)c1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)s1 ZINC000013588748 IG Annotated Reactive Cc1cc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCN(C)CC4)cccc2-3)c(C)s1 ZINC000013588758 IG Annotated Anodyne CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588830 IG Annotated Mild CC(Cl)(Cl)[C@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/c1cccnc1)NC#N ZINC000013588831 IG Annotated Mild CN(CCc1ccccn1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013593601 IG Annotated Anodyne CN(CCc1ccccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013593604 IG Annotated Anodyne Cc1ccccc1CN1C[C@@H]2C[C@@H](c3cnc(N4CCOCC4)s3)N3CCC[C@@]23C1=O ZINC000013594053 IG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000013596792 IG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000013596796 IG Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2c1CCN(C)C ZINC000013605917 IG Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCCCCO)C1 ZINC000013634671 IG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=C[C@H](C2CC2)[C@H]1CCCO ZINC000013634675 IG Annotated Anodyne CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCCCCO)C1 ZINC000013634710 IG Annotated Anodyne C[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013634755 IG Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3csc4ccccc34)C[C@H](OCCCCO)O2)CC1 ZINC000013634900 IG Annotated Anodyne Cc1nonc1OCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 ZINC000013636886 IG Annotated Anodyne CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013636895 IG Annotated Anodyne CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 ZINC000013636898 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(N)c1/N=N\c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000013637891 IG Annotated Clean COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000013648568 IG Annotated Bother COc1ccc2c(c1OC)C(=O)O[C@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000013648570 IG Annotated Bother COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000013648573 IG Annotated Bother COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C ZINC000013648575 IG Annotated Bother CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000013650000 IG Annotated Clean COc1ccc(CN2CCCN(Cc3ccc(OC)c(OC)c3)C(=O)NC2=O)cc1OC ZINC000013652007 IG Annotated Anodyne COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C(=S)NC2=O)cc1OC ZINC000013652011 IG Annotated Anodyne COc1cccc(OC2=C(Cl)C(=O)c3c(OC(C)=O)ccc(OC(C)=O)c3C2=O)c1 ZINC000013652350 IG Annotated Mild O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCOCC1 ZINC000013656789 IG Annotated Anodyne O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656793 IG Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO ZINC000013656805 IG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCOCC2)=C[C@H](c2ccc(C(F)(F)F)cc2)[C@H]1CCCO ZINC000013656831 IG Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO ZINC000013656863 IG Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](C3CCCCC3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656888 IG Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3csc4ccccc34)C[C@@H](OCCCCO)O2)CC1 ZINC000013656894 IG Annotated Anodyne CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO ZINC000013656905 IG Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](C3CCCCC3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 ZINC000013656940 IG Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657325 IG Annotated Anodyne C=C1CCN([C@H](C(=O)NCc2ccc(OC)cc2)C(C)C)S(=O)(=O)c2ccccc21 ZINC000013659988 IG Annotated Mild CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660450 IG Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660453 IG Annotated Anodyne CN1[C@@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660581 IG Annotated Anodyne CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000013660583 IG Annotated Anodyne CN(C)CCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000013660866 IG Annotated Anodyne COCCNC(=O)c1c(CSc2ccccc2)noc1C(=O)NCc1ccccc1 ZINC000013660873 IG Annotated Anodyne O=C1/C(=C/c2ccc(F)c(F)c2F)SC(=S)N1NS(=O)(=O)c1ccccc1 ZINC000013680709 IG Annotated Clean Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2[nH]nc(-c5ccccc5)c2C4=NCC3)cc1 ZINC000013687124 IG Annotated Clean Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2c(-c5ccccc5)n[nH]c2C4=NCC3)cc1 ZINC000013687159 IG Annotated Clean O=[N+]([O-])c1cc[n+]([O-])c(NCCCCCCCCCCNc2cc([N+](=O)[O-])cc[n+]2[O-])c1 ZINC000013740385 IG Annotated Bother C/C(=N\OCC#N)c1ccc(S(=O)(=O)c2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1 ZINC000013743630 IG Annotated Mild COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O ZINC000013744337 IG Annotated Anodyne CC[C@@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O ZINC000013744367 IG Annotated Anodyne CC[C@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O ZINC000013744369 IG Annotated Anodyne CCCc1cc(O)c([C@@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000013756557 IG Annotated Anodyne CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F ZINC000013759852 IG Annotated Anodyne in-vivo CC(C)(C)OC(=O)N1CC(=O)N2Cc3c(-c4noc(C5CC5)n4)ncn3-c3cccc1c32 ZINC000013760376 IG Annotated Anodyne O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778925 IG Annotated Anodyne O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000013778926 IG Annotated Anodyne CN(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 ZINC000013780508 IG Annotated Anodyne CCN1c2ncc(CCc3ccnc(C(N)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780560 IG Annotated Anodyne CCN1c2ncc(COc3cc[n+]([O-])c(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000013780572 IG Annotated Anodyne Clc1nc2c(N3CCCC3)nc(N3CCOCC3)nc2nc1NCc1ccccc1 ZINC000013782035 IG Annotated Anodyne CCOC(=O)CCCn1ccc2cc(OC(=O)OCC)c(OC(=O)OCC)cc2c1=O ZINC000013800911 IG Annotated Anodyne C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)[C@H](C)CN1C(=O)[C@@](C)(O)C(F)(F)F ZINC000013804119 IG Annotated Anodyne S=C(NCc1ccccc1I)N1CCC(c2c[nH]cn2)CC1 ZINC000013808001 IG Annotated Anodyne S=C(NCc1cccc(I)c1)N1CCC(c2c[nH]cn2)CC1 ZINC000013808003 IG Annotated Anodyne COc1ccccc1C(=O)N1[C@@H](CC(=O)Nc2ccccc2C)C(=O)N[C@@H]2CCCC[C@H]21 ZINC000013811627 IG Annotated Anodyne CCCS(=O)(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813425 IG Annotated Mild CCOC(=O)[C@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814006 IG Annotated Anodyne CCOC(=O)[C@@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F ZINC000013814009 IG Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccccc3)C=C2C1=O ZINC000013817089 IG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccccc3)C=C2C1=O ZINC000013817093 IG Annotated Mild CN(C)CCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817127 IG Annotated Mild O=C1CCN2C(=C1C(=O)Nc1ccccc1F)N(CCn1ccnc1)c1cc(F)ccc12 ZINC000013817148 IG Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CCCCC3)C=C2C1=O ZINC000013817150 IG Annotated Mild CN(C)/C=N/CCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817151 IG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(C3CCCCC3)C=C2C1=O ZINC000013817153 IG Annotated Mild COCCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817172 IG Annotated Mild COC(=O)OCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817181 IG Annotated Mild CCOCN1C2=C(C(=O)Nc3ccc(OC)cc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817217 IG Annotated Mild C=CCN1C=C2C(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC ZINC000013817238 IG Annotated Mild C=CCN1C=C2C(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC ZINC000013817242 IG Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CC1 ZINC000013817352 IG Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3cccs3)C(=O)C2=CN1C1CC1 ZINC000013817355 IG Annotated Mild COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C ZINC000013817472 IG Annotated Anodyne O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCO2 ZINC000013817629 IG Annotated Anodyne C=C(C)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H]2O[C@@]2(C)C[C@@H]2C=C(C(=O)O2)[C@@H](OC(C)=O)C1 ZINC000013822114 IG Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC[C@H](C)CC)CC1 ZINC000013822793 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC[C@@H](C)CC)CC1 ZINC000013822795 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCCC(C)C)CC1 ZINC000013822797 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCC(C)(C)C)CC1 ZINC000013822799 IG Annotated Anodyne COc1ccc2c(C(=O)N(C)CC(N)=O)c(OCC(F)(F)F)ccc2c1C(F)(F)F ZINC000013823605 IG Annotated Anodyne COc1cccc(CN2C[C@@]34C[C@@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000013830753 IG Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830915 IG Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830917 IG Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830919 IG Annotated Anodyne COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000013830920 IG Annotated Anodyne CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3CS(=O)(=O)c3ccccc3)cnc21 ZINC000013831301 IG Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 ZINC000013831848 IG Annotated Anodyne CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(O)c(C)c2)n(CC)c1=O ZINC000013860285 IG Annotated Anodyne CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(O)c(F)c2)n(CC)c1=O ZINC000013860289 IG Annotated Anodyne CN(C[C@@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CCCCc1ccc2c(n1)NCCC2 ZINC000013860634 IG Annotated Anodyne CN(C[C@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CCCCc1ccc2c(n1)NCCC2 ZINC000013860635 IG Annotated Anodyne O=C(CC[C@@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860640 IG Annotated Anodyne O=C(CC[C@@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860641 IG Annotated Anodyne O=C(CC[C@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860642 IG Annotated Anodyne O=C(CC[C@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860643 IG Annotated Anodyne O=c1c2cccn2c2ccccc2n1CCNC(=S)Nc1ccc(Br)cn1 ZINC000013861554 IG Annotated Anodyne C[C@H](NCCc1cc(Cl)c(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 ZINC000013862639 IG Annotated Anodyne COC(=O)c1[nH]c(=O)c2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000013863101 IG Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C ZINC000013863102 IG Annotated Anodyne COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@H](C)N2CCCC2)C1 ZINC000013863717 IG Annotated Anodyne COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@@H](C)N2CCCC2)C1 ZINC000013863718 IG Annotated Anodyne COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1 ZINC000013863719 IG Annotated Anodyne COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1 ZINC000013863720 IG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(Cl)cc2)CS1 ZINC000013864132 IG Annotated Mild C[C@@H](NS(=O)(=O)c1ccccc1)/C(O)=N/C1=NN=C(c2ccc(Cl)cc2)CS1 ZINC000013864144 IG Annotated Mild N#C[C@H](C(=O)COC(=O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000013865513 IG Annotated Mild NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878898 IG Annotated Bother NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(NCCOc2ccccc2)c([N+](=O)[O-])c1 ZINC000013878899 IG Annotated Bother COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/CCCC(=O)O)C[C@H]3C[C@H]1O)O2 ZINC000013884198 IG Annotated Anodyne C=C1C(=O)OC[C@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000013914880 IG Annotated Mild C=C1C(=O)OC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000013914881 IG Annotated Mild C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@](C)(O)NC2=O)C(=O)OC(C)(C)C ZINC000013975360 IG Annotated Mild CC1(C)O[C@@]23CC[C@@]4(C)[C@](O)(C2=CC(=O)[C@@H]1O3)[C@@H](O)C[C@H]1Cc2c([nH]c3ccccc23)[C@@]14C ZINC000135883537 IG Annotated Mild Cc1ccc(Cl)cc1-n1c(SCC(=O)NC[C@@H]2CCCO2)nc2nnc(C)c-2c1N ZINC000135986769 IG Annotated Anodyne Cc1ccc(Cl)cc1-n1c(SCC(=O)NC[C@H]2CCCO2)nc2nnc(C)c-2c1N ZINC000135986819 IG Annotated Anodyne C=C1[C@H]2[C@@H]3OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)/C(C)=C\C ZINC000136300008 IG Annotated Mild C=C1[C@H]2[C@@H]3OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@@H]3CC[C@]2(C)[C@@H]2O[C@@H]2[C@@H]1OC(=O)C=C(C)C ZINC000136303609 IG Annotated Mild CO[C@H]1CN(c2nc(C)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl ZINC000136326521 IG Annotated Anodyne COC(=O)Cc1cc(=O)n2[nH]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2n1 ZINC000136439069 IG Annotated Anodyne Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3ccc(Br)cc3)c(N)c1-2 ZINC000136981505 IG Annotated Anodyne O=C1/C=C\c2ccc(O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1 ZINC000137074589 IG Annotated Anodyne in-man C[C@H]1C=C[C@H]2[C@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000137079832 IG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000137129019 IG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000137129062 IG Annotated Anodyne CC[C@@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1 ZINC000137237474 IG Annotated Anodyne CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1 ZINC000137237533 IG Annotated Anodyne COc1cccc(-n2c(SCC(=O)N3CCC(C)CC3)nc3nnc(C)c-3c2N)c1 ZINC000137508722 IG Annotated Anodyne CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)C(=O)/C=C\[C@@]1(C)O ZINC000137589963 IG Annotated Mild CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000137648324 IG Annotated Anodyne Cc1cscc1-c1ccc(C(=O)Nc2ncc(CN3CCN(C)CC3)[nH]2)c2nccnc12 ZINC000137897089 IG Annotated Anodyne C=C[C@](C)(CC[C@@H]1[C@@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000137968532 IG Annotated Mild CCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCCO ZINC000138161429 IG Annotated Anodyne COCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCCOC)[C@@H]1/C=C/c1ccccc1OC ZINC000138234945 IG Annotated Anodyne COCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCCOC)[C@@H]1/C=C/c1ccccc1OC ZINC000138235040 IG Annotated Anodyne Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+](=O)c2ccccc2n1O ZINC000138310461 IG Annotated Anodyne CC(C)=CC(=O)/C=C(\C)CCOc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 ZINC000138816335 IG Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@@]15CC2)[C@@H]43 ZINC000138899902 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@H]4C[C@](C)(C2)O[C@H]4[C@H]31 ZINC000139295485 IG Annotated Mild C/C=C/C/C=C/[C@H](C)C[C@H](O)[C@@H]1C[C@@H]2O[C@H]2/C=C/[C@H](O)[C@@H](O)/C=C/C[C@H](C)CC(=O)O1 ZINC000139436981 IG Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@@H](O)C=C(C=O)[C@H](C=O)[C@]32C)cc1 ZINC000139542077 IG Annotated Reactive COc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1 ZINC000139596197 IG Annotated Anodyne C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)/C=C/[C@@H](C)[C@@H]1O ZINC000139772505 IG Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@@H](O)C=C4CO[C@@H](O)[C@@H]4[C@]32C)cc1 ZINC000139794439 IG Annotated Anodyne CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)O[C@H]4c4ccoc4)C3=CC(=O)[C@@H]3O[C@]312 ZINC000139883321 IG Annotated Mild Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3cc(Br)ccc31)C1=C(CCCC1=O)O2 ZINC000139911807 IG Annotated Mild C[C@@H]1CC(C)(C)N[C@@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000014243561 IG Annotated Reactive C[C@H]1CC(C)(C)N[C@@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000014243562 IG Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000014243563 IG Annotated Reactive C[C@H]1CC(C)(C)N[C@H](CCO[P@@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000014243564 IG Annotated Reactive CCCCCCCCCCC/C=C/C=C/[C@H](C[C@@H](O)[C@@](N)(CO)C(=O)O)OC(C)=O ZINC000014300053 IG Annotated Mild investigational CCCCCCCCCCC/C=C/C=C/[C@H](C[C@H](O)[C@@](N)(CO)C(=O)O)OC(C)=O ZINC000014300055 IG Annotated Mild investigational C[C@@H](CC(=O)NC(=O)c1coc(/C=C/CCCCCCCCC(=O)O)cc1=O)C(=O)O ZINC000014439498 IG Annotated Anodyne COc1cc2c(cc1OC)Oc1c(oc3c4c(ccc3c1=O)OC(C)(C)[C@@H](O)[C@H]4O)CO2 ZINC000014440877 IG Annotated Anodyne COC[C@H](Cc1cc(OC)c2c(c1)OCO2)[C@H](COC)[C@@H](O)c1ccc(OC)c(OC)c1 ZINC000014492533 IG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1 ZINC000140099021 IG Annotated Anodyne CS(=O)(=O)Nc1cccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)c1 ZINC000140131967 IG Annotated Anodyne CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000140139069 IG Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 ZINC000140154869 IG Annotated Anodyne CCOC(=O)N(C)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140184886 IG Annotated Anodyne CCOC(=O)N(C)[C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000140185033 IG Annotated Anodyne COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@H]2OC(=O)c2ccc(Cl)cc2)cc1 ZINC000140195314 IG Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)OC(=O)c2c1ccc1c2N(C)c2cccc(C(N)=O)c2N1 ZINC000140205400 IG Annotated Anodyne CC(=O)O[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)C[C@@H]2O[C@@]21C ZINC000140511615 IG Annotated Anodyne COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1N1CC[C@@H](O)C1 ZINC000140559526 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000140635761 IG Annotated Anodyne COC1=C(OC)[C@@]2(OC)Oc3c(cc(OC)c(OC)c3OC)[C@@H]3[C@H]2C(=C[C@H](C)[C@H]3C)C1=O ZINC000140719263 IG Annotated Mild CCCCCCCCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000140749868 IG Annotated Mild O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 ZINC000140951941 IG Annotated Anodyne CCCc1cc(F)ccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000141003175 IG Annotated Bother CCCc1cc(F)ccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000141003358 IG Annotated Bother Cc1csc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@H](C)C(=O)[C@@H](C)C3=O)cc2)c1C ZINC000141086328 IG Annotated Mild Cc1csc(NS(=O)(=O)c2ccc(N/N=C3/C(=N)[C@@H](C)C(=O)[C@@H](C)C3=O)cc2)c1C ZINC000141086500 IG Annotated Mild Nc1ncnc2c1ncn2C[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000141104486 IG Annotated Anodyne COCCN1C(=O)[C@]2(N=C1N)c1cc(CCC(C)C)ccc1CC21CCC(OC)CC1 ZINC000141118125 IG Annotated Anodyne COCCN1C(=O)[C@@]2(N=C1N)c1cc(CCC(C)C)ccc1CC21CCC(OC)CC1 ZINC000141118329 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3nccs3)cc1[C@@]21N=C(N)N(CCF)C1=O ZINC000141169099 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(-c3nccs3)cc1[C@]21N=C(N)N(CCF)C1=O ZINC000141169299 IG Annotated Anodyne Cc1cccc(-c2c3c(nn2C)CCc2cnc(Nc4ccn(CCN(C)C)n4)nc2-3)c1 ZINC000141180081 IG Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N(C)S(=O)(=O)C2CC2)cn1 ZINC000141341834 IG Annotated Anodyne C=C1[C@H]2[C@@H]3OC(=O)[C@](C)(OC(=O)/C(C)=C\C)[C@@H]3CC[C@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]2O[C@H]12 ZINC000141376352 IG Annotated Mild C[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O ZINC000141541596 IG Annotated Anodyne COc1cc(-c2cc3c(ccc[n+]3[O-])c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc(Cl)c1OC ZINC000141839448 IG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3(C)C)n2)cc(OC)c1OC ZINC000141902101 IG Annotated Anodyne COC[C@H](C)Oc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141904065 IG Annotated Anodyne COC[C@@H](C)Oc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC ZINC000141904562 IG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCCOC1 ZINC000141912079 IG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@H]1CCCOC1 ZINC000141912718 IG Annotated Anodyne COCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141921995 IG Annotated Anodyne COCC[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141922218 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CNCC2 ZINC000142041579 IG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000142069516 IG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000142069719 IG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000142172859 IG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000142173055 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1F)[C@H](NC)CC2 ZINC000142262202 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccccc1F)[C@@H](NC)CC2 ZINC000142262406 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1F)[C@H](NC)CC2 ZINC000142262630 IG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1F)[C@@H](NC)CC2 ZINC000142262821 IG Annotated Anodyne CNC(=O)c1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000142303727 IG Annotated Anodyne C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1)C(N)=O ZINC000142342350 IG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1F ZINC000142381426 IG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1F ZINC000142381638 IG Annotated Anodyne CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1F ZINC000142381852 IG Annotated Anodyne CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1F ZINC000142382052 IG Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N)CC3)C1 ZINC000142532212 IG Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)C1 ZINC000142532436 IG Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N)CC3)C1 ZINC000142532646 IG Annotated Anodyne CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N)CC3)C1 ZINC000142532839 IG Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1 ZINC000142583021 IG Annotated Anodyne CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)C2CC2)C1 ZINC000142583439 IG Annotated Anodyne O=C(NC[C@H](O)C(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000142587349 IG Annotated Anodyne O=C(NC[C@@H](O)C(F)(F)F)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 ZINC000142587580 IG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)c(F)c([C@@H]3CCCO3)c2[nH]1 ZINC000142864033 IG Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(NCc2ccc(C(F)(F)F)nc2)CC1 ZINC000142888671 IG Annotated Anodyne CC(C)(C)CCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142913099 IG Annotated Anodyne CC(C)Oc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000142939164 IG Annotated Anodyne CC(C)Oc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000142939381 IG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccc4[nH]ccc4c3)ccc1-2 ZINC000142979621 IG Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccc4[nH]ccc4c3)ccc1-2 ZINC000142979843 IG Annotated Anodyne Cn1ccc2cc(-c3ccc4c(c3)CCn3c-4cc(OC[C@@H]4COCCO4)nc3=O)ccc21 ZINC000142989844 IG Annotated Anodyne Cn1ccc2cc(-c3ccc4c(c3)CCn3c-4cc(OC[C@H]4COCCO4)nc3=O)ccc21 ZINC000142990062 IG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCCNc3ccccc3)ccc1-2 ZINC000142998667 IG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C)c(=O)[nH]1 ZINC000143002512 IG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NCC3CCCCC3)ccc1-2 ZINC000143030678 IG Annotated Anodyne CN(c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)C1CCCCC1 ZINC000143030908 IG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COC3CCCCC3)ccc1-2 ZINC000143034087 IG Annotated Anodyne N[C@@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143043811 IG Annotated Anodyne N[C@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143044033 IG Annotated Anodyne CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(F)c2)CC3)cn1 ZINC000143071925 IG Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000143175609 IG Annotated Anodyne CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000143178974 IG Annotated Anodyne CCCc1nc(C(C)(C)O)c(C(N)=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000143210847 IG Annotated Anodyne N[C@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143212169 IG Annotated Anodyne N[C@@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143212382 IG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143303410 IG Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1Cl ZINC000143303594 IG Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000143303788 IG Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1Cl ZINC000143303902 IG Annotated Anodyne CC(C)(C)c1ccc2c(=O)n(-c3cccc(-c4nc(C(N)=O)cs4)c3CO)ncc2c1 ZINC000143318473 IG Annotated Anodyne Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 ZINC000143326243 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(NC(C)=O)nc2)c1F ZINC000143339505 IG Annotated Anodyne Cn1cc(-c2cc(OCC(=O)N3CCC3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000143357927 IG Annotated Anodyne Cn1cc(-c2cc(OCC(=O)N3CCC3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000143358129 IG Annotated Anodyne COCC1(COC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cc(F)ccc2O1 ZINC000143358926 IG Annotated Anodyne Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C3(C)COC3)c2)nc1 ZINC000143378885 IG Annotated Anodyne CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@]3(O)[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000143397559 IG Annotated Anodyne CC[C@@H]1C[C@]2(CC[C@H]1OC)Cc1ccc(C#N)cc1[C@]21N=C(N)N(CC(C)(C)F)C1=O ZINC000143439024 IG Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC(C)(C)F)C3=O)C[C@H]1C ZINC000143442263 IG Annotated Anodyne Cc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1Cl ZINC000143461124 IG Annotated Anodyne Cc1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)oc1C(N)=O ZINC000143473783 IG Annotated Anodyne O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143498763 IG Annotated Anodyne O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 ZINC000143498970 IG Annotated Anodyne OCCCCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143503810 IG Annotated Anodyne OCCCCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000143504017 IG Annotated Anodyne Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)cc1C(N)=O ZINC000143534833 IG Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1O ZINC000143568352 IG Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1O ZINC000143568542 IG Annotated Mild COC(=O)c1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(O)c1 ZINC000143577726 IG Annotated Mild COC(=O)c1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c(O)c1 ZINC000143577922 IG Annotated Mild CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(Cl)ccc1-n1nccn1 ZINC000143679327 IG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2ccccc21 ZINC000143681926 IG Annotated Anodyne CC1(COc2ccc(-n3nc(C4CC4)c4cc(C(=O)NS(C)(=O)=O)ccc43)cn2)CC1 ZINC000143682920 IG Annotated Anodyne CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 ZINC000143694237 IG Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@]2(C(N)=O)C(F)F)sc1-c1ccnc(C(C)(C)C)n1 ZINC000143700181 IG Annotated Anodyne Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 ZINC000143745660 IG Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4C[C@H](C2)C[C@@](O)(C4)C3)c1=O ZINC000143851839 IG Annotated Anodyne CC(C)(C)OC(=O)NC1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 ZINC000143990365 IG Annotated Anodyne CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C ZINC000144064809 IG Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN[C@H](COC)C2)cc1 ZINC000144118310 IG Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)cn2)cc1 ZINC000144158945 IG Annotated Anodyne CC1(C)CCc2c(C(=O)Nc3cnn([C@@H](CS(C)(=O)=O)c4ccccc4)c3)n[nH]c2C1 ZINC000144205325 IG Annotated Anodyne CC(=O)N[C@@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1 ZINC000144214948 IG Annotated Anodyne CC(=O)N[C@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1 ZINC000144215119 IG Annotated Anodyne CCc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C ZINC000144235277 IG Annotated Anodyne Cc1ccc(C(=O)NC2(C)COC2)cc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 ZINC000144285801 IG Annotated Anodyne CC(=O)NCc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1 ZINC000144291679 IG Annotated Anodyne Cc1cc2nc(NC3CC3)c(N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)nc2cn1 ZINC000144306141 IG Annotated Anodyne C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCO)Cc1ccccc1 ZINC000144312900 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3nc2Nc2cccnc2)CC1 ZINC000144384382 IG Annotated Anodyne CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccc(-n3cncn3)nc2)cn1 ZINC000144669742 IG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)COC4)nc3)cc(-c3ccccn3)c2s1 ZINC000144723150 IG Annotated Anodyne Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1N1CCC[C@@H](N)CC1 ZINC000144731857 IG Annotated Anodyne N#Cc1ccc2nc(NCCF)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1 ZINC000144733296 IG Annotated Anodyne CCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144746465 IG Annotated Anodyne CCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144746670 IG Annotated Anodyne CN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144804423 IG Annotated Anodyne CN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144804644 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144810697 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144810836 IG Annotated Anodyne O=C(NCCCCO)c1cc(-c2cncnc2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144821205 IG Annotated Anodyne O=C(NCCCCO)c1cc(-c2cncnc2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144821406 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@@H](O)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144826539 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@@H](O)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144826752 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@H](O)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144826937 IG Annotated Anodyne Cn1cc(-c2cc(C(=O)N3CC[C@H](O)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144827148 IG Annotated Anodyne CN(CCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O ZINC000144839289 IG Annotated Anodyne CN(CCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O ZINC000144839492 IG Annotated Anodyne CC(=O)NCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144847875 IG Annotated Anodyne CC(=O)NCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144848080 IG Annotated Anodyne CN(C)C(=O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144857589 IG Annotated Anodyne CN(C)C(=O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144857788 IG Annotated Anodyne CC(C)(O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144938422 IG Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000014506023 IG Annotated Anodyne in-man COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000014506026 IG Annotated Anodyne in-man COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]32OC(C)=O)ccc1O ZINC000014506032 IG Annotated Anodyne in-man COc1cc(C)c2c(c1/C=C/C(C)=O)Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O ZINC000014557393 IG Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]1(O)CC(=O)C(COC(=O)CC(=O)O)=CC1=O ZINC000014584822 IG Annotated Mild C[C@@H](CC(=O)NC(=O)c1coc(/C=C/C=C/CCCCCCC(=O)O)cc1=O)C(=O)O ZINC000014594140 IG Annotated Anodyne C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000014615680 IG Annotated Mild C=CC(C)(C)[C@@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000014615681 IG Annotated Mild COc1cc(-c2oc3c(OC)c4c(c(OC)c3c(=O)c2OC)OCO4)cc(OC)c1OC ZINC000014616674 IG Annotated Anodyne COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)CC3=C1)OCO5 ZINC000014619692 IG Annotated Mild COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)CC3=C1)OCO5 ZINC000014619695 IG Annotated Mild CC(=O)OC/C(=C\CC/C(=C/CO)CO)CC/C=C(/CC/C=C(\C)CO)COC(C)=O ZINC000014654726 IG Annotated Anodyne Cc1cccc(NC(=O)c2ccc(NC(=O)C[C@@H]3SC(N4CCCC4)=NC3=O)cc2)n1 ZINC000014683663 IG Annotated Anodyne Cc1cccc(NC(=O)c2ccc(NC(=O)C[C@H]3SC(N4CCCC4)=NC3=O)cc2)n1 ZINC000014683665 IG Annotated Anodyne COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3(C)CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@H]3C[C@H]12 ZINC000014685449 IG Annotated Bother C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@@H](C)C(=O)O ZINC000014688766 IG Annotated Mild C/C=C/C1=CC2=CC3=C(C(=O)CCCCC)C(=O)O[C@@]3(C)C(=O)C2=CN1[C@H](C)C(=O)O ZINC000014688768 IG Annotated Mild CCOCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@H](OCC)OC2=O ZINC000014689478 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)C[C@H]1COC(=O)[C@@H]1Cc1c-2cc(OC)c(OC)c1OC ZINC000014715076 IG Annotated Anodyne C=C(C)[C@H]1COc2c(C)cc3oc4c(C[C@H](O)C(C)(C)O)ccc(O)c4c(=O)c3c2[C@@H]1O ZINC000014719686 IG Annotated Mild CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@@H](O)C(C)(C)O)c1O ZINC000014721441 IG Annotated Anodyne in-vivo CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@H](O)C(C)(C)O)c1O ZINC000014721443 IG Annotated Anodyne in-vivo COc1cc([C@]2(OC)OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)cc(OC)c1OC ZINC000014764649 IG Annotated Anodyne in-vitro biogenic Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@@]5(C)O)[nH]4)C(=O)[C@@]3(C)O ZINC000014767900 IG Annotated Bother CC(=O)OC[C@@]1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(C)C[C@H](OC(C)=O)[C@H]12 ZINC000014812717 IG Annotated Anodyne CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)C(=O)/C=C/[C@@]1(C)O ZINC000014828901 IG Annotated Mild in-vitro biogenic C=C(C)[C@H](O)CC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 ZINC000014828908 IG Annotated Mild in-vitro biogenic CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@H]2C[C@@]35CCCN3C(=O)[C@]2(C4)NC5=O)O1 ZINC000014856966 IG Annotated Anodyne C=CC(C)(C)[C@@]12C[C@]3(O)C(=O)Nc4ccccc4C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000014857598 IG Annotated Mild O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCc3ccccc3C1)C2)c1cccnc1 ZINC000014880384 IG Annotated Anodyne O=C(Nc1nc2c(s1)C(=O)C[C@H](C(=O)N1CCc3ccccc3C1)C2)c1cccnc1 ZINC000014880386 IG Annotated Anodyne Cn1cc(CNC2CCN(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CC2)cn1 ZINC000014883462 IG Annotated Anodyne Cc1nc(N2CCC(NCc3cccc(F)c3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014888240 IG Annotated Anodyne COc1cc2c3c(c1OC)[C@]1(C=CC(=O)C(Oc4ccc(CO)cc4)=C1)C[C@H]3N(C)CC2 ZINC000014931160 IG Annotated Mild COc1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)C[C@@H](CO)C5)C(=O)NC2=O ZINC000014945608 IG Annotated Bother COc1ccc2c(c1)[nH]c1c2c2c(c3c4cccc5c4n(c13)C[C@H](CO)C5)C(=O)NC2=O ZINC000014945609 IG Annotated Bother Cc1cc(C)c(S(=O)(=O)NCc2nc3c(c4c2[nH]c2ccccc24)CNC3=O)c(C)c1 ZINC000014945863 IG Annotated Anodyne COc1cccc(-n2ncc3c(N/N=C/c4ccc(OCCN(C)C)cc4)ncnc32)c1 ZINC000014946189 IG Annotated Mild COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)O)c2CO)c1 ZINC000014954269 IG Annotated Anodyne in-vivo CCCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CN(CC)C3)c(CC)c2n1 ZINC000014955538 IG Annotated Anodyne COc1cc(NC(=O)Cc2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(C#N)cn1 ZINC000014956083 IG Annotated Mild Cc1cncc2cccc(S(=O)(=O)N[C@@H]3CN[C@H](COCc4ccc(Cl)cc4)C3)c12 ZINC000014958086 IG Annotated Anodyne NCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl ZINC000014961560 IG Annotated Anodyne CN(C)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964435 IG Annotated Anodyne CCNCCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964455 IG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CCCNC2)ccc2c1CCCC2 ZINC000014964508 IG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CCCNC2)ccc2c1CCCC2 ZINC000014964512 IG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CCNC2)ccc2c1CCCC2 ZINC000014964516 IG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CCNC2)ccc2c1CCCC2 ZINC000014964520 IG Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNCC2)ccc2c1CCCC2 ZINC000014964525 IG Annotated Anodyne CN(C/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)CCO ZINC000014964911 IG Annotated Anodyne O[C@@H](CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1 ZINC000014966869 IG Annotated Anodyne O[C@H](CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1 ZINC000014966873 IG Annotated Anodyne Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br ZINC000014974443 IG Annotated Anodyne O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21 ZINC000014976802 IG Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21 ZINC000014976805 IG Annotated Anodyne CC[C@@H](C)C(=O)C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000014979429 IG Annotated Anodyne CC[C@H](C)C(=O)C(=O)N1CCC(n2nccc2NC(=O)CCOc2ccccc2)CC1 ZINC000014979432 IG Annotated Anodyne Cc1cnc(C)c(N2CCN(C(=O)CCN3Cc4cc(Cl)ccc4O[C@H](C)C3)CC2)n1 ZINC000014997313 IG Annotated Anodyne Cc1cnc(C)c(N2CCN(C(=O)CCN3Cc4cc(Cl)ccc4O[C@@H](C)C3)CC2)n1 ZINC000014997316 IG Annotated Anodyne O=C(c1ccc(N2CCC(NCCn3ccc4ccccc43)CC2)cc1)N1CCOCC1 ZINC000014997742 IG Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1COCC[C@H]1N1CC[C@@H]2C[C@H]21 ZINC000145068131 IG Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)C2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC ZINC000145249216 IG Annotated Mild CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 ZINC000145297720 IG Annotated Anodyne CCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O ZINC000145459744 IG Annotated Anodyne CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1 ZINC000145485839 IG Annotated Anodyne COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000145571714 IG Annotated Anodyne COC(=O)CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000145571899 IG Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N(CCO)CCO ZINC000145609895 IG Annotated Anodyne O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)N(CCO)CCO ZINC000145610099 IG Annotated Anodyne Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 ZINC000146443318 IG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ncc4c(n3)CCNC4)c2)ccc1OC1CCOCC1 ZINC000146458370 IG Annotated Anodyne CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]1CCC[C@]21CO1 ZINC000146534581 IG Annotated Anodyne Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(OC6COC6)cc5[nH]4)c3N)ccc2[nH]1 ZINC000146567537 IG Annotated Anodyne C[C@H](O)[C@H](Nc1ccc(C#N)c(Cl)c1)c1nnc(-c2ccc(S(C)(=O)=O)cc2)o1 ZINC000146600000 IG Annotated Anodyne CC(C)(C)n1c(-c2cc(C#N)cnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000146637347 IG Annotated Anodyne CNC(=O)c1ccc(C#N)nc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000146745228 IG Annotated Anodyne Cn1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ccc1=O ZINC000146942950 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000147151754 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000147151963 IG Annotated Mild COc1cc(C2CC2)ccc1-c1nccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147367792 IG Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(C)c3c(c2OC)OCO3)CCN1C ZINC000147410710 IG Annotated Anodyne CS(=O)(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147503733 IG Annotated Anodyne CN(C)C(=O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 ZINC000147564145 IG Annotated Anodyne CC(C)(C(=O)NCc1ccc(-n2cccn2)cc1)c1ccc(S(=O)(=O)/C=C/C#N)cc1 ZINC000147606283 IG Annotated Reactive COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C(C)C)c1 ZINC000147635467 IG Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1COCC[C@H]1N1CC[C@H]2C[C@H]21 ZINC000147661789 IG Annotated Anodyne CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000147715519 IG Annotated Anodyne CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 ZINC000147715707 IG Annotated Anodyne NC1=N[C@@]2(c3cc(CNCC(F)(F)F)c(F)cc3F)CO[C@@H](CF)C[C@H]2CS1 ZINC000147752806 IG Annotated Anodyne in-vitro Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O ZINC000147824873 IG Annotated Anodyne Cc1ccc(C(=O)NC[C@@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 ZINC000148198067 IG Annotated Anodyne Cc1ccc(C(=O)NC[C@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 ZINC000148198269 IG Annotated Anodyne COc1cc(C(=O)NC2=CC(=O)/C(=C3\Nc4cc(C)ccc4O3)C=C2)cc(OC)c1OC ZINC000148277151 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCC3(C)COC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148298228 IG Annotated Mild CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000148319180 IG Annotated Anodyne Cc1ccc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)c(F)c2)nn1 ZINC000148325198 IG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148382562 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)NCCOC)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148471130 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CC(C)(C)O)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148517225 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1C ZINC000148599158 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCCOC)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148666503 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCOCC3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000148696495 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)CCOC)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148699748 IG Annotated Mild NS(=O)(=O)c1ccc(N(/C=C/C(=O)C(F)(F)F)CC(=O)c2ccc(Cl)cc2)cc1 ZINC000148710391 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148733013 IG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148750736 IG Annotated Mild COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1 ZINC000148963740 IG Annotated Anodyne O=C1CN=C(n2cnc(C3CCC3)n2)C=C2c3cccc(-c4ccc(F)nc4)c3CCN12 ZINC000149090063 IG Annotated Anodyne CC(C)n1cc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)cn1 ZINC000149091944 IG Annotated Anodyne O=C1CN=C(n2cnc(-c3ncco3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12 ZINC000149261166 IG Annotated Anodyne Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC1CCOCC1 ZINC000149284291 IG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3ccc(F)c(-c4cccnc4F)c3CCN12 ZINC000149295896 IG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3ccc(F)c(-c4cnc(F)nc4)c3CCN12 ZINC000149506465 IG Annotated Anodyne CC[C@@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1O ZINC000149624555 IG Annotated Anodyne CN(C)CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000149752293 IG Annotated Anodyne CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000149814820 IG Annotated Anodyne O=C(Cc1nnc(Cc2nc3ccc(-c4ccc(F)cc4)cc3s2)o1)NC1(CO)CC1 ZINC000149866927 IG Annotated Anodyne CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12 ZINC000149921688 IG Annotated Anodyne Cc1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3n2)s1 ZINC000149925341 IG Annotated Mild O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1 ZINC000149940727 IG Annotated Anodyne O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2ccc3c(c2)OC(F)(F)O3)c1 ZINC000149948316 IG Annotated Anodyne N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(Cl)c3)cn2)c(F)c1 ZINC000149951694 IG Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1 ZINC000149990105 IG Annotated Anodyne CC(C)CC(=O)O[C@H](CC(=O)OC/C=C1\OC(=O)c2ccc(Cl)cc21)C[N+](C)(C)C ZINC000001540173 IG Annotated Bother C=C1C(=O)OC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000001547236 IG Annotated Mild NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1 ZINC000001554301 IG Annotated Anodyne O=C1[C@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 ZINC000001619611 IG Annotated Anodyne CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O ZINC000001638062 IG Annotated Anodyne O=C1NC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)Oc2ccccc21 ZINC000001640503 IG Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000001643201 IG Annotated Anodyne CCOP(=O)(OCC)[C@@](C)(CC)NC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N1 ZINC000001643711 IG Annotated Anodyne COC(=O)CCc1cc(OC)c(O)c([C@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 ZINC000001645305 IG Annotated Anodyne COC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000001645367 IG Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000001645368 IG Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000001645369 IG Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000001645370 IG Annotated Anodyne COC(=O)CCc1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000001645371 IG Annotated Anodyne CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001650880 IG Annotated Bother CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001650881 IG Annotated Bother CCOC(=O)C1=CN[C@@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001650882 IG Annotated Bother CCOC(=O)C1=CN[C@H](C(=O)OCC)[C@@H]1c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001650883 IG Annotated Bother CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O1 ZINC000001651501 IG Annotated Anodyne COc1cc([C@@](O)(CC#N)c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000001653435 IG Annotated Mild CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)[C@H](OC)N1C(=O)OCC ZINC000001654589 IG Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCCCN)OCCCN)c(C)c2c1OC(C)(C)CC2 ZINC000001655140 IG Annotated Anodyne O=S(=O)(Nc1nc(-c2cc(O)c(O)c(O)c2)cs1)c1ccc(Cl)cc1Cl ZINC000001661921 IG Annotated Clean COC(=O)c1cc2c(cc1Cl)Sc1nnc(Nc3ccc(C)cc3)n1S2(=O)=O ZINC000001663285 IG Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000001780340 IG Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000001780347 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000001794498 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000001794510 IG Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000001795545 IG Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000001795546 IG Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000001795548 IG Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000001795551 IG Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000001819365 IG Annotated Anodyne COC(=O)c1ccc([C@H]2[C@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000001819366 IG Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000001836602 IG Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 ZINC000001836603 IG Annotated Anodyne CC(C)[C@H](N)C(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000001854922 IG Annotated Anodyne CC(C)[C@@H](N)C(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000001854926 IG Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000001859290 IG Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=S)N=C3O)cc1 ZINC000001860533 IG Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O ZINC000001860534 IG Annotated Anodyne O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)N1CCOCC1 ZINC000001860800 IG Annotated Bother COC(=O)[C@H](Cc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000001861340 IG Annotated Anodyne Sc1nn2c(CCCCCCCCc3nnc4sc(S)nn34)nnc2s1 ZINC000001862007 IG Annotated Anodyne CN(C)CCCC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000001892453 IG Annotated Anodyne C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(c32)S1 ZINC000001913704 IG Annotated Anodyne COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000015044806 IG Annotated Anodyne COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(O)c1OC ZINC000015044809 IG Annotated Anodyne COC[C@@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000015067933 IG Annotated Anodyne COC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000015067935 IG Annotated Anodyne COC[C@@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000015067937 IG Annotated Anodyne COC[C@H]1CCCCN1C(=O)C[C@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O ZINC000015067939 IG Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23C[C@@H](OC(C)=O)[C@@H](C)[C@](C)(C[C@@H](O)c2ccoc2)[C@H]3C1 ZINC000015197155 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2O ZINC000015262600 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)[C@@H]2O ZINC000015262602 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@@](C)(O)[C@@H](C)C2 ZINC000015262625 IG Annotated Anodyne C=CCN1[C@@H](COC(=O)/C=C/c2ccccc2)Cc2c3n(c4ccccc24)C[C@H](O)[C@@H](O)[C@@H]31 ZINC000015269203 IG Annotated Mild COc1c2c(c(OC)c([C@H]3OC[C@@H]4[C@@H](c5ccc6c(c5)OCO6)OC[C@H]34)c1OC)OCO2 ZINC000015271062 IG Annotated Anodyne CC(C)[C@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1 ZINC000150298815 IG Annotated Anodyne CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)CC1 ZINC000150554750 IG Annotated Bother O=C(CN(CCc1ccccc1)Cc1ccccc1)Oc1ccccc1P(=O)(O)O ZINC000015895121 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]12C ZINC000015935642 IG Annotated Anodyne CCn1c(=O)c(CCC(=O)NC[C@@H]2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21 ZINC000015936569 IG Annotated Anodyne CCn1c(=O)c(CCC(=O)NC[C@H]2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21 ZINC000015936571 IG Annotated Anodyne O=C(NCC1CC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCC1CC1 ZINC000015936617 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C)cc3)C(=O)[C@@]21C ZINC000015936623 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21CC ZINC000015936625 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21CC ZINC000015936651 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21C ZINC000015936662 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C ZINC000015936691 IG Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000015937096 IG Annotated Anodyne COC(=O)c1ccccc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943130 IG Annotated Anodyne COC(=O)c1ccccc1NC(=O)[C@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000015943132 IG Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C ZINC000015953067 IG Annotated Anodyne COc1ccc([C@H]2C=CCN(S(C)(=O)=O)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015962583 IG Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(C)(=O)=O)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015962584 IG Annotated Anodyne CCN(CCCNC(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O)Cc1ccccc1 ZINC000015962609 IG Annotated Anodyne CC(C)N(CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O)Cc1ccccc1 ZINC000015962634 IG Annotated Anodyne Cc1ccc(NC(=S)NC[C@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 ZINC000015974123 IG Annotated Anodyne CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000155630846 IG Annotated Mild COCCO/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000016052679 IG Annotated Mild in-vitro O=c1[nH]/c(=C/c2ccc(Cl)cc2Cl)c(=O)[nH]/c1=C/c1ccc(Cl)cc1Cl ZINC000016134080 IG Annotated Anodyne Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)c(C)cn3n2)c1 ZINC000165468465 IG Annotated Anodyne Cn1cnc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)c1 ZINC000165650475 IG Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)[C@H](O)[C@@H]3O[C@@H]32)O[C@@H]1O ZINC000165957764 IG Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(C=C(Cl)[C@@H](O)[C@H]3O[C@H]32)O[C@@H]1O ZINC000165957878 IG Annotated Anodyne CCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 ZINC000166168311 IG Annotated Reactive CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 ZINC000166168426 IG Annotated Reactive CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 ZINC000166168549 IG Annotated Reactive CCOc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1 ZINC000166168673 IG Annotated Reactive C=C1[C@H](O)[C@@H](O)[C@]2(Br)O[C@@H]3C[C@](C)(Cl)[C@@H](Br)C[C@]13C2(C)C ZINC000166525976 IG Annotated Reactive CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CC[C@@H]3[C@H](Cc4occc4[C@@]3(C)O)[C@@]2(C)[C@H]1OC(C)=O ZINC000166779889 IG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@H]3C2)n1 ZINC000167132384 IG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@@H]3C2)n1 ZINC000167132474 IG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@H]3C2)n1 ZINC000167132573 IG Annotated Anodyne Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCC2 ZINC000168649983 IG Annotated Anodyne N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C2)cc(C(F)(F)F)n1 ZINC000168751785 IG Annotated Mild CC(C)(C)CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 ZINC000169067101 IG Annotated Anodyne CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 ZINC000169142782 IG Annotated Anodyne NC[C@@]1(c2cccc(Cl)c2)CC[C@H](N2CCn3c(nnc3C(F)(F)F)C2=O)CC1 ZINC000169144315 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169290702 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169290703 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169290888 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169290889 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)CC[C@@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@H]13 ZINC000169290945 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)CC[C@@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@H]13 ZINC000169290946 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)CC[C@]23C[C@@H]4C[C@@H](O[C@]4(C)C2)[C@@H]31 ZINC000169290947 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)CC[C@]23C[C@@H]4C[C@@H](O[C@@]4(C)C2)[C@@H]31 ZINC000169290948 IG Annotated Anodyne CO[C@@H]1/C=C\C=C/C=C\C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 ZINC000169291026 IG Annotated Anodyne CO[C@@H]1/C=C/C=C\C=C/C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 ZINC000169291027 IG Annotated Anodyne CO[C@@H]1/C=C\C=C\C=C/C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 ZINC000169291028 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C\C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 ZINC000169291029 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23CC[C@@H](C[C@@H]12)[C@](C)(O)C3 ZINC000169291942 IG Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292149 IG Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292150 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292152 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F ZINC000169292154 IG Annotated Anodyne CC(C)=CC(=O)O[C@@H]1/C=C\[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\CO)C(=O)/C=C\[C@@]1(C)O ZINC000169292334 IG Annotated Mild CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(\CO)C(=O)/C=C\[C@@]1(C)O ZINC000169292336 IG Annotated Mild CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 ZINC000169292661 IG Annotated Anodyne CCCOc1ccc(N2C(=O)[C@H]3[C@H](C(C)C)NC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 ZINC000169293264 IG Annotated Clean C[C@@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000169293288 IG Annotated Anodyne C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000169293289 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169293470 IG Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000169293471 IG Annotated Anodyne C=C(C(=O)OCC)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)C/C=C(/C)[C@H](O)C1 ZINC000169293515 IG Annotated Mild CO[C@@H]1/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 ZINC000169293523 IG Annotated Anodyne CO[C@@H]1/C=C/C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 ZINC000169293524 IG Annotated Anodyne CO[C@@H]1/C=C\C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 ZINC000169293526 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 ZINC000169293528 IG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293556 IG Annotated Clean CCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293557 IG Annotated Clean CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293558 IG Annotated Clean COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293802 IG Annotated Anodyne COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293803 IG Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169293804 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@@H]31 ZINC000169297557 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@H]4C[C@H](O[C@]4(C)C2)[C@H]31 ZINC000169297559 IG Annotated Mild OCCN1CCN(CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000169299326 IG Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2O[C@@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169299655 IG Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2O[C@@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169299656 IG Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000169299795 IG Annotated Clean CCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000169299796 IG Annotated Clean CCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000169299797 IG Annotated Clean CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 ZINC000169299908 IG Annotated Anodyne O=C1C[C@@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 ZINC000169299937 IG Annotated Anodyne O=C1C[C@](CC(=O)N2C[C@H]3CCC[C@H]2C3)(c2cccc(F)c2)C(=O)N1Cc1cccnc1 ZINC000169299939 IG Annotated Anodyne O=C1OCC/C=C\CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21 ZINC000169300005 IG Annotated Mild O=C1OCC/C=C\CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21 ZINC000169300006 IG Annotated Mild O=C1OCC/C=C/CC/C=C\C(=N\OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21 ZINC000169300008 IG Annotated Mild c1ccc(CNCC[C@]23O[C@@]4(CCNCc5ccccn5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)nc1 ZINC000169300145 IG Annotated Anodyne c1ccc(CNCC[C@@]23O[C@@]4(CCNCc5ccccn5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)nc1 ZINC000169300147 IG Annotated Anodyne c1ccc(CNCC[C@]23O[C@]4(CCNCc5ccccn5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)nc1 ZINC000169300149 IG Annotated Anodyne c1ccc(CNCC[C@]23O[C@@]4(CCNCc5ccccn5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)nc1 ZINC000169300150 IG Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C/N=C(\S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000169301247 IG Annotated Mild Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C/N=C(\S)Nc5ccc(F)cc5)(O4)[C@@H]3C2=O)cc1 ZINC000169301248 IG Annotated Mild COc1cc2c(cc1OC)[C@@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@@]13[C@H]1[C@H]2OC[C@H]13 ZINC000169301385 IG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@@]13[C@H]1[C@H]2OC[C@H]13 ZINC000169301386 IG Annotated Anodyne CN1CCN(C2=C(Nc3cccc(Br)c3)C(=O)c3ccccc3C2=O)CC1 ZINC000169302862 IG Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000169302926 IG Annotated Anodyne CCOC(=O)c1csc(NC(=O)c2ccncc2NS(=O)(=O)c2ccc(C)cc2)n1 ZINC000169303775 IG Annotated Anodyne COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCC2)CC1 ZINC000169304156 IG Annotated Anodyne CN1CCN(C2=C(Nc3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000169305071 IG Annotated Mild CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(N5CCOCC5)cc4)ccc1c23 ZINC000169306596 IG Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3nc4cncnc4[nH]3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000169307438 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N ZINC000169308830 IG Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(Oc2ccc3ncn(C)c(=O)c3c2)c1C#N ZINC000169308834 IG Annotated Mild CCCCCC/C(=C1/C(=O)N2[C@@H](C(C)(C)C)OC[C@]2(C(=O)OC)C1=O)N1CCCCC1 ZINC000169310903 IG Annotated Mild O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 ZINC000169311384 IG Annotated Anodyne CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ncc(C#N)cn2)c1 ZINC000169311658 IG Annotated Mild CN(c1ccc(C#N)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1 ZINC000169311691 IG Annotated Mild CC(=O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)nn3)c2)cc1 ZINC000169311706 IG Annotated Anodyne CC(=O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cn3)c2)cc1 ZINC000169311711 IG Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\N3C(=O)CNC3=S)[C@H]2C)cc1 ZINC000169313734 IG Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C/C(=N\N3C(=O)CNC3=S)[C@@H]2C)cc1 ZINC000169313735 IG Annotated Mild COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@H](O)c1ccccc1)OCO4 ZINC000169319059 IG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 ZINC000169320538 IG Annotated Bother CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 ZINC000169320541 IG Annotated Bother CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 ZINC000169320543 IG Annotated Bother CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OCC(C)(C)[N+](C)(C)C)c3ccccc23)S1 ZINC000169320545 IG Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@@H](O)C[S@@](=O)c4ccccc4)cc3c(=O)c2c1 ZINC000169321996 IG Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)C[S@@](=O)c4ccccc4)cc3c(=O)c2c1 ZINC000169321999 IG Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@@H](O)C[S@](=O)c4ccccc4)cc3c(=O)c2c1 ZINC000169322001 IG Annotated Bother O=C(O)c1ccc2oc3ccc(OC[C@H](O)C[S@](=O)c4ccccc4)cc3c(=O)c2c1 ZINC000169322004 IG Annotated Bother CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@@H]32)[C@@H]2C=C(N)C=CC2=N1 ZINC000169322729 IG Annotated Anodyne CC1=C[C@@H](NCCCCCCN[C@H]2C=C(C)N=C3C=CC(N)=C[C@@H]32)[C@@H]2C=C(N)C=CC2=N1 ZINC000169322730 IG Annotated Anodyne CCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169322828 IG Annotated Mild CCCCCCCCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169322830 IG Annotated Mild CCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169322832 IG Annotated Mild COc1ccc(-c2cc(N(C)CCOC(=O)Cc3ccc(O)cc3)c(C#N)c(=O)o2)cc1 ZINC000169323981 IG Annotated Mild O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCOCC1 ZINC000169324542 IG Annotated Anodyne COC(=O)/C=C1/S/C(=N\C(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccccc2F)C1=O ZINC000169324804 IG Annotated Mild CN1CCN(C(=O)C[C@H]2CNC(=O)c3cc(-c4cccc(F)c4)cn32)[C@@H](c2ccccc2)C1 ZINC000169325494 IG Annotated Anodyne Cc1c(/N=N/c2c(-c3ccc([N+](=O)[O-])cc3)[nH]n(C(N)=S)c2=O)cccc1[N+](=O)[O-] ZINC000169325514 IG Annotated Clean Cc1ccc([N+](=O)[O-])cc1/N=N/c1c(-c2ccc([N+](=O)[O-])cc2)[nH]n(C(N)=S)c1=O ZINC000169325952 IG Annotated Clean [O-][n+]1onc2ccc(CN3CCN(/C(=N/c4ccccc4)NCc4ccccc4)CC3)cc21 ZINC000169328583 IG Annotated Mild [O-][n+]1onc2ccc(CN3CCN(/C(=N/c4ccccc4)Nc4ccccc4)CC3)cc21 ZINC000169328585 IG Annotated Mild CC1(C)CC(=O)C2=C(C1)N(CCN1CCNCC1)N=C(c1ccc(Br)cc1)C2 ZINC000169328741 IG Annotated Mild CCc1c([C@@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(C#CC=O)cc2)c(=O)[nH]c1=O ZINC000169328848 IG Annotated Mild CCc1c([C@H](F)c2cc(C)cc(C)c2)n(COCc2ccc(C#CC=O)cc2)c(=O)[nH]c1=O ZINC000169328851 IG Annotated Mild C=C1C[C@@H](OC(C)=O)/C=C(/COC(C)=O)CC[C@@H]2/C(=C\[C@H](O)C=C(C)C)C(=O)OC[C@@H]12 ZINC000169329168 IG Annotated Mild Cc1cc2c(Oc3cnc(C(=O)N4CC(C)C4)cn3)cc(C(=O)Nc3cnccn3)cc2o1 ZINC000169329210 IG Annotated Anodyne COc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1 ZINC000169329224 IG Annotated Anodyne Cc1cc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)ccc1NC(=O)NC1CCCCC1 ZINC000169331078 IG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 ZINC000169332325 IG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@H]2CCCN21 ZINC000169332328 IG Annotated Anodyne O=C1C(Nc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2c1cccc2[N+](=O)[O-] ZINC000169334575 IG Annotated Mild CC(C)Oc1ccc(N2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1cnccn1 ZINC000169334992 IG Annotated Clean CC(=O)C1=C(O)/C(=C(\O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC1=O ZINC000169336586 IG Annotated Reactive CCOC(=O)C1=CN=[S@@](=O)(c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)C=C1O ZINC000169338603 IG Annotated Bother CCOC(=O)C1=CN=[S@](=O)(c2ccc3oc4ccc(C(=O)O)cc4c(=O)c3c2)C=C1O ZINC000169338605 IG Annotated Bother O=CN1CCCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339400 IG Annotated Anodyne O=CN1CCCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169339403 IG Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000169339831 IG Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000169339833 IG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000169340124 IG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OC[C@H]3CCOC3)nc2s1 ZINC000169340126 IG Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169340850 IG Annotated Anodyne Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169340853 IG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@@H]4CO)c3O)n[nH]2)cc1 ZINC000169341115 IG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@H]4CCN(C)[C@@H]4CO)c3O)n[nH]2)cc1 ZINC000169341117 IG Annotated Anodyne Cc1ccc(CN2C(=O)OC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169341621 IG Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000169341641 IG Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000169341643 IG Annotated Anodyne O[C@@H]1CC[C@@H](n2ccc(Nc3ncc4c(nnn4-c4ccc(Cl)c(F)c4)n3)n2)CC1 ZINC000169341694 IG Annotated Anodyne CCOc1ccc(-n2nnc3nc(Nc4ccn(CCCC5CCNCC5)n4)ncc32)cc1 ZINC000169341695 IG Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCCC[C@@H]2OC)CC1 ZINC000169341934 IG Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@H]2CCCC[C@@H]2OC)CC1 ZINC000169341936 IG Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCCC[C@H]2OC)CC1 ZINC000169341938 IG Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@H]2CCCC[C@H]2OC)CC1 ZINC000169341939 IG Annotated Anodyne COCC(=O)Nc1cn2c(n1)CN(c1cc(-c3ncc(C)cc3C)c(Cl)cn1)CC2 ZINC000169342761 IG Annotated Anodyne CN1CCN(Cc2cc(=O)oc3c2c2c(c4oc([N+](=O)[O-])cc43)C=CC(C)(C)O2)CC1 ZINC000169342964 IG Annotated Bother CCCc1cc(=O)oc2c3c(cc(OCCN4CCOCC4)c12)O[C@H]([N+](=O)[O-])[C@H]3C(C)C ZINC000169343009 IG Annotated Bother Cc1ccc(CN2C(=O)OC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000169345811 IG Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 ZINC000169345919 IG Annotated Anodyne O=C(N/N=C/c1ccc(OCCCn2cc(C3(O)CCCCC3)nn2)cc1)c1ccncc1 ZINC000169346144 IG Annotated Reactive CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169346639 IG Annotated Anodyne CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(C(F)(F)F)cc12 ZINC000169346640 IG Annotated Anodyne Cn1c([N+](=O)[O-])cnc1S(=O)(=O)CCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000169347005 IG Annotated Bother Cc1cc(O)c2c(c1)C(=O)c1c(Cl)c(O)c(I)c(O)c1C2=O ZINC000169347420 IG Annotated Clean COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@@H]3CCN(C)[C@@H]3CO)c2O)n[nH]1 ZINC000169347701 IG Annotated Anodyne COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@H]3CCN(C)[C@@H]3CO)c2O)n[nH]1 ZINC000169347702 IG Annotated Anodyne CC1=CC[C@@H]2[C@H](C=C(C)[C@H]3[C@]4(C)OCC[C@@H](C)[C@H]4O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@@]23O)C1 ZINC000169348829 IG Annotated Anodyne CC[C@@H](C)[C@H]1O[C@H](/C=C/C=C/C(=O)O)[C@@H](O)[C@]2(O)[C@@H](C(C)=C[C@@H]3CC(C)=CC[C@H]32)[C@]1(C)O ZINC000169348833 IG Annotated Anodyne Cc1c2cc[n+](CCOCCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccc(O)cc12 ZINC000169350005 IG Annotated Reactive C[C@H]1COC2(CCN(S(=O)(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)O1 ZINC000169350169 IG Annotated Anodyne O=C(O)C[C@@H]1S/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)NC1=O ZINC000169350761 IG Annotated Mild O=C(O)C[C@H]1S/C(=N\N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)NC1=O ZINC000169350762 IG Annotated Mild Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12 ZINC000169350922 IG Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)[nH]c4ccc(F)cc24)C3)c1Cl ZINC000169351302 IG Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](Nc2cc(=O)[nH]c4ccc(F)cc24)C3)c1Cl ZINC000169351303 IG Annotated Anodyne Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C(F)(F)F ZINC000169351686 IG Annotated Anodyne C[C@H]1C[C@H](Nc2cc(=O)[nH]c3cc(F)c(F)cc23)CCN1C(=O)c1cnn(C)c1Cl ZINC000169351698 IG Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)[nH]c4cc(F)c(F)cc24)C3)c1Cl ZINC000169351700 IG Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 ZINC000169352569 IG Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 ZINC000169352570 IG Annotated Anodyne O=C(O[C@@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000169352587 IG Annotated Bother O=C(O[C@H](Cn1ccnc1)c1ccc(F)cc1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000169352590 IG Annotated Bother COCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)[nH]c1=O ZINC000169353935 IG Annotated Anodyne COCn1c(=O)[nH]c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c1=O ZINC000169353936 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 ZINC000169355238 IG Annotated Anodyne C[C@@]12C[C@@H]3C[C@@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]4[C@@H]3O1)C2 ZINC000169363620 IG Annotated Mild C[C@@]12C[C@H]3C[C@@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]4[C@@H]3O1)C2 ZINC000169363621 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23C[C@@H]4C[C@](C)(C2)O[C@H]4[C@H]31 ZINC000169363622 IG Annotated Mild CCCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365522 IG Annotated Anodyne CCCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365523 IG Annotated Anodyne CCCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169365524 IG Annotated Anodyne C=C(C)[C@@H](O)CC[C@]1(C)/C=C\[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C\C(=O)/C(CO)=C\C1 ZINC000169369044 IG Annotated Mild C=C(C)[C@@H](O)CC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C\C(=O)/C(CO)=C\C1 ZINC000169369045 IG Annotated Mild C=C(C)[C@@H](O)CC[C@]1(C)/C=C\[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 ZINC000169369046 IG Annotated Mild O=C1[C@@H]2C=C[C@@H]([C@@H]3[C@@H]2[C@@H]2C/C(=N\Cc4ccccc4)[C@]3(O)CN2Cc2ccccc2)[C@@]12CO2 ZINC000169372864 IG Annotated Mild O=C1[C@H]2C=C[C@@H]([C@@H]3[C@@H]2[C@@H]2C/C(=N\Cc4ccccc4)[C@]3(O)CN2Cc2ccccc2)[C@@]12CO2 ZINC000169372865 IG Annotated Mild O=C1[C@@H]2C=C[C@H]([C@@H]3[C@@H]2[C@@H]2C/C(=N\Cc4ccccc4)[C@]3(O)CN2Cc2ccccc2)[C@@]12CO2 ZINC000169372866 IG Annotated Mild O=C1[C@H]2C=C[C@H]([C@@H]3[C@@H]2[C@@H]2C/C(=N\Cc4ccccc4)[C@]3(O)CN2Cc2ccccc2)[C@@]12CO2 ZINC000169372867 IG Annotated Mild CC(=O)OCC(=O)OCC[C@@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372892 IG Annotated Mild CC(=O)OCC(=O)OCC[C@]12C[C@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372893 IG Annotated Mild CC(=O)OCC(=O)OCC[C@@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372894 IG Annotated Mild CC(=O)OCC(=O)OCC[C@]12C[C@@H]3[C@H](C)CC[C@H]3[C@@]3(C=O)C[C@@H]1C=C(C(C)C)[C@@]32C(=O)O ZINC000169372895 IG Annotated Mild O=C1/C=C\c2ccc(O)c(c2)Oc2ccc(cc2)/C=C\C(=O)NCCCNCCCCN1 ZINC000169417371 IG Annotated Anodyne in-man CC(=O)O[C@H]1C[C@]2(C)O[C@H]2CC/C(C)=C/[C@@H](OC(C)=O)[C@@]2(C)C(=O)C[C@@H]([C@]3(C)CO3)[C@H]12 ZINC000169661734 IG Annotated Anodyne CN(Cc1cc(O)c(O)c(O)c1)C(=S)/C=C/c1cc(O)c(O)c(Br)c1 ZINC000169685058 IG Annotated Clean C/C(=C\C(=S)NCc1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Br)c1 ZINC000169685061 IG Annotated Clean O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1=O ZINC000169685590 IG Annotated Anodyne C[C@@H](/N=N/c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000169686069 IG Annotated Clean C[C@H](/N=N/c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000169686070 IG Annotated Clean C/C(Cl)=C/Cn1c(/N=N/[C@@H](C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000169686072 IG Annotated Clean C/C(Cl)=C/Cn1c(/N=N/[C@H](C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C ZINC000169686073 IG Annotated Clean COC(=O)c1ccc(NC(=O)Cc2c(O)n(-c3ccc(C)cc3)c(=O)n2CC(C)C)cc1 ZINC000169686786 IG Annotated Anodyne CCOc1ccc([C@@H]2c3c(cc(C)n(CCN(C)C)c3=O)OC(=N)[C@@H]2C#N)cc1OCC ZINC000169686790 IG Annotated Mild CCOc1ccc([C@H]2c3c(cc(C)n(CCN(C)C)c3=O)OC(=N)[C@@H]2C#N)cc1OCC ZINC000169686791 IG Annotated Mild Cc1c(/N=C2/C(=O)N(c3ccccc3Cl)C(=O)[C@@H]2Cl)c(=O)n(-c2ccccc2)n1C ZINC000169686814 IG Annotated Reactive Cc1c(/N=C2/C(=O)N(c3ccccc3Cl)C(=O)[C@H]2Cl)c(=O)n(-c2ccccc2)n1C ZINC000169686815 IG Annotated Reactive C[C@@H]1[C@H]2[C@@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C ZINC000169687034 IG Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 ZINC000169687038 IG Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 ZINC000169687039 IG Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687206 IG Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687207 IG Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687208 IG Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687209 IG Annotated Anodyne COC(=O)c1ccc([C@H]2[C@@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000169687233 IG Annotated Anodyne COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000169687234 IG Annotated Anodyne CCCOc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000169687254 IG Annotated Anodyne CCCOc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000169687255 IG Annotated Anodyne CCCOc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000169687256 IG Annotated Anodyne CCCOc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000169687257 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000169687493 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000169687494 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2c3c(cc(C)n(Cc4ccccn4)c3=O)OC(=N)[C@@H]2C#N)c1 ZINC000169687771 IG Annotated Mild COc1ccc(OC)c([C@H]2c3c(cc(C)n(Cc4ccccn4)c3=O)OC(=N)[C@@H]2C#N)c1 ZINC000169687772 IG Annotated Mild CCOc1cc([C@@H]2NC(=O)N[C@@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688229 IG Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688230 IG Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N[C@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688231 IG Annotated Anodyne CCOc1cc([C@H]2NC(=O)N[C@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169688232 IG Annotated Anodyne Cc1cc([N+](=O)[O-])c(=O)[c-](/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)c1 ZINC000169688546 IG Annotated Mild COc1nc(/N=N/Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N2CCOCC2)n1 ZINC000169688550 IG Annotated Clean Cc1cc([N+](=O)[O-])c(=O)[c-](/C=N/n2c(COc3ccccc3)nc3ccccc3c2=O)c1 ZINC000169688552 IG Annotated Mild COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000169688736 IG Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000169688737 IG Annotated Anodyne CCCOc1cccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169688991 IG Annotated Anodyne CCCOc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169688992 IG Annotated Anodyne CCCOc1cccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169688993 IG Annotated Anodyne CCCOc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169688994 IG Annotated Anodyne C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689040 IG Annotated Mild C=CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689041 IG Annotated Mild C=CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689042 IG Annotated Mild C=CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2c2nnc(C)s2)c1 ZINC000169689043 IG Annotated Mild O=C1c2ccccc2C(=O)C1C1=N[C@@H](C(=O)O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169689736 IG Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@H](C(=O)O)c2c1c(O)n(-c1ccc(Cl)cc1)c2O ZINC000169689737 IG Annotated Clean CCSc1nnc(-c2ccccc2/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 ZINC000169689748 IG Annotated Mild COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@@H]1c1cccc(Br)c1 ZINC000169690226 IG Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@H]1c1cccc(Br)c1 ZINC000169690227 IG Annotated Anodyne CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000169690257 IG Annotated Anodyne CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000169690258 IG Annotated Anodyne CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000169690259 IG Annotated Anodyne CCOc1cccc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000169690260 IG Annotated Anodyne C[C@@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000169690306 IG Annotated Anodyne C[C@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000169690307 IG Annotated Anodyne CCCc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C(=O)OC)C(=N)O2 ZINC000169691180 IG Annotated Anodyne CCCc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C(=O)OC)C(=N)O2 ZINC000169691181 IG Annotated Anodyne COCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCCOC)[C@H]1/C=C/c1ccccc1OC ZINC000169691264 IG Annotated Anodyne COCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCCOC)[C@H]1/C=C/c1ccccc1OC ZINC000169691265 IG Annotated Anodyne COC(=O)c1ccc(-n2c(O)cc(N(C)CCc3ccc(OC)c(OC)c3)c2O)cc1 ZINC000169691763 IG Annotated Anodyne Cc1ccc(C(=O)N[n+]2cc(O)[c-](-c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2N)cc1 ZINC000169692249 IG Annotated Bother CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)s1 ZINC000169692335 IG Annotated Anodyne CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2cccc(OC)c2)s1 ZINC000169692336 IG Annotated Anodyne CCSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)s1 ZINC000169692337 IG Annotated Anodyne CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)s1 ZINC000169692338 IG Annotated Anodyne O=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1/C=N/N1CCCC[C@@H]1c1cccnc1 ZINC000169693151 IG Annotated Mild O=c1[nH]c(=O)n(-c2cccc3ccccc23)c(O)c1/C=N/N1CCCC[C@H]1c1cccnc1 ZINC000169693152 IG Annotated Mild CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000169693803 IG Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 ZINC000169693804 IG Annotated Anodyne C=CCN1C(=O)[C@@]2(c3ccccc3OC(=N)[C@@H]2C(=O)OCC)c2c1c1ccccc1oc2=O ZINC000169693806 IG Annotated Mild C=CCN1C(=O)[C@]2(c3ccccc3OC(=N)[C@@H]2C(=O)OCC)c2c1c1ccccc1oc2=O ZINC000169693807 IG Annotated Mild O=C1C(=O)N(Cc2ccncc2)[C@H](c2ccccc2F)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169693854 IG Annotated Anodyne O=C1C(=O)N(Cc2ccncc2)[C@H](c2ccccc2F)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169693855 IG Annotated Anodyne O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccccc2F)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169693856 IG Annotated Anodyne O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccccc2F)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169693857 IG Annotated Anodyne Cc1cc(C(=O)N/N=C/[c-]2cc(Br)cc([N+](=O)[O-])c2=O)c2ccccc2n1 ZINC000169693958 IG Annotated Reactive COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)c(OC)c1 ZINC000169694247 IG Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1COCC[C@H]1N1CC[C@@H]2C[C@@H]21 ZINC000169694349 IG Annotated Anodyne COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@@H]1COCC[C@H]1N1CC[C@H]2C[C@@H]21 ZINC000169694350 IG Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694966 IG Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694967 IG Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694968 IG Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169694969 IG Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@@H]2c2cccnc2OCCO)cc1 ZINC000169695279 IG Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@@H]2c2cccnc2OCCO)cc1 ZINC000169695280 IG Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@@H](C(=O)C(C)(C)C)[C@H]2c2cccnc2OCCO)cc1 ZINC000169695281 IG Annotated Anodyne CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]2c2cccnc2OCCO)cc1 ZINC000169695282 IG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695347 IG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO ZINC000169695348 IG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695349 IG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO ZINC000169695350 IG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695483 IG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCO ZINC000169695484 IG Annotated Anodyne CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695485 IG Annotated Anodyne CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO ZINC000169695486 IG Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696290 IG Annotated Anodyne COc1ccccc1[C@H]1[C@@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696291 IG Annotated Anodyne COc1ccccc1[C@@H]1[C@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696292 IG Annotated Anodyne COc1ccccc1[C@H]1[C@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000169696293 IG Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696353 IG Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696354 IG Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696355 IG Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 ZINC000169696356 IG Annotated Anodyne CCc1ncnc(N(C)C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000169697494 IG Annotated Mild CCOc1cc(Br)c(Br)c([C@@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699732 IG Annotated Clean CCOc1cc(Br)c(Br)c([C@H]2N[C@@H](C(=O)O)CS2)c1O ZINC000169699733 IG Annotated Clean CCOc1cc(Br)c(Br)c([C@@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699734 IG Annotated Clean CCOc1cc(Br)c(Br)c([C@H]2N[C@H](C(=O)O)CS2)c1O ZINC000169699735 IG Annotated Clean CCc1cc(OC(=O)OC)c(Oc2ccc(C(=O)N3CCNC(=O)C3)cc2F)cc1F ZINC000169700182 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@@]21N=C(N)N(CCF)C1=O ZINC000169700453 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@]21N=C(N)N(CCF)C1=O ZINC000169700454 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCCOC(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O ZINC000169700491 IG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(OCCOC(C)C)cc1[C@]21N=C(N)N(C(C)C)C1=O ZINC000169700492 IG Annotated Anodyne CCOCCCc1ccc2c(c1)[C@@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700495 IG Annotated Anodyne CCOCCCc1ccc2c(c1)[C@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 ZINC000169700496 IG Annotated Anodyne NC(=O)c1cccc2c(NC[C@@H]3CC=C/C(=N\[C@@H](O)c4c[nH]c5ncccc45)C3)ncnc12 ZINC000169700725 IG Annotated Mild NC(=O)c1cccc2c(NC[C@H]3CC=C/C(=N\[C@@H](O)c4c[nH]c5ncccc45)C3)ncnc12 ZINC000169700726 IG Annotated Mild NC(=O)c1cccc2c(NC[C@@H]3CC=C/C(=N\[C@H](O)c4c[nH]c5ncccc45)C3)ncnc12 ZINC000169700727 IG Annotated Mild NC(=O)c1cccc2c(NC[C@H]3CC=C/C(=N\[C@H](O)c4c[nH]c5ncccc45)C3)ncnc12 ZINC000169700728 IG Annotated Mild CN1CCN(c2nccn3c(-c4cccc(N[C@@H](CCN)c5ccccc5)n4)cnc23)CC1 ZINC000169701243 IG Annotated Anodyne CN1CCN(c2nccn3c(-c4cccc(N[C@H](CCN)c5ccccc5)n4)cnc23)CC1 ZINC000169701244 IG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CCCC34COC4)cc2)C1 ZINC000169701430 IG Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)cc1F ZINC000169701460 IG Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000169701503 IG Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1cc(F)cc(Cl)c1 ZINC000169701517 IG Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(Cl)c1 ZINC000169701518 IG Annotated Anodyne C[C@H](Oc1ccc(N2CCC3(CCC(O)(COCCF)CC3)C2=O)cn1)C(F)(F)F ZINC000169701643 IG Annotated Anodyne O=C1N(c2ccc([C@@H](O)C(F)(F)F)cc2)CC[C@@]12CC[C@@H](O)[C@H](OCC(F)(F)F)C2 ZINC000169702048 IG Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2C)CC3)n1 ZINC000169702273 IG Annotated Anodyne Cc1cccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccn(CCN(C)C)n4)nc2-3)c1 ZINC000169702292 IG Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1 ZINC000169702310 IG Annotated Anodyne CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(F)cc2)CC3)n1 ZINC000169702314 IG Annotated Anodyne C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CC(=O)N(C)C)n3)ncc21 ZINC000169702328 IG Annotated Anodyne C[C@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CC(=O)N(C)C)n3)ncc21 ZINC000169702329 IG Annotated Anodyne COc1ccc([C@H](CO)Nc2nc(Nc3cc(C(C)(C)C)n(C)n3)c3c[nH]nc3n2)cc1 ZINC000169702573 IG Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)c3ccncc3Cl)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702576 IG Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702734 IG Annotated Anodyne CCOc1cc([C@H]2NC(=O)N=C(c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702735 IG Annotated Anodyne CCOc1cc([C@@H]2NC(=O)N=C(c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702736 IG Annotated Anodyne CCOc1cc([C@H]2NC(=O)N=C(c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000169702737 IG Annotated Anodyne Cn1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br ZINC000169702860 IG Annotated Reactive CC(C)(C)n1c(-c2nc(C#N)ccc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169703409 IG Annotated Mild Nc1ncc(-c2cc(N[C@@H]3CC[C@@H](O)CC3)ncc2Cl)nc1NCC1CCOCC1 ZINC000169703800 IG Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3cnn(CCCO)c3)nc2n1 ZINC000169704088 IG Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3cnn(CCO)c3)nc2n1 ZINC000169704108 IG Annotated Anodyne CN(C)Cc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)cc1 ZINC000169704597 IG Annotated Anodyne C/N=C/[C@@H](C(=N)CN)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704615 IG Annotated Mild C/N=C/[C@H](C(=N)CN)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704616 IG Annotated Mild Nc1nc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704636 IG Annotated Anodyne Cn1cncc1C#Cc1ccn2c(-c3cncc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000169704712 IG Annotated Mild Nc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N ZINC000169704756 IG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704994 IG Annotated Anodyne O=C(Nc1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 ZINC000169704995 IG Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC[C@@H](N(C)C)C5)c34)cnn2C)cc1 ZINC000169706070 IG Annotated Anodyne Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(c6ccn(C)n6)C5)c34)cnn2C)cc1 ZINC000169706073 IG Annotated Anodyne CN(C)[C@@H]1CCN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C4CC4)cc2)nn3C)C1 ZINC000169706092 IG Annotated Anodyne CCc1nn(Cc2cccc(=O)n2C)c2cccc(NC(=O)c3cnc4ccccn34)c12 ZINC000169706560 IG Annotated Anodyne OC1CCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)CC1 ZINC000169706626 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@@H]3CCO)nn2-c2ccccc2)c1 ZINC000169707052 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3CCO)nn2-c2ccccc2)c1 ZINC000169707053 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@H]3CCO)nn2-c2ccccc2)c1 ZINC000169707054 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@H]3CCO)nn2-c2ccccc2)c1 ZINC000169707055 IG Annotated Anodyne CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCOCC2)c1 ZINC000169707094 IG Annotated Anodyne O=C1NC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)O1 ZINC000169707184 IG Annotated Anodyne O=C1NC[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)O1 ZINC000169707185 IG Annotated Anodyne COC(C)(C)c1cccc(-c2cc(NC(=O)C3CNC(=O)NC3)nn2-c2ccccc2)c1 ZINC000169707191 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3CCOC)nn2-c2ccccc2)c1 ZINC000169707269 IG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CCOC)nn2-c2ccccc2)c1 ZINC000169707270 IG Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(O)c3)n2)CN1 ZINC000169707348 IG Annotated Anodyne CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 ZINC000169707488 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CO)c3)c2)c2cncnc21 ZINC000169707646 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccn4ccnc4c3)c2)c2cncnc21 ZINC000169707654 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ncccc43)c2)c2cncnc21 ZINC000169707655 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C4CC4)n3)c2)c2cncnc21 ZINC000169707659 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4cccnc43)c2)c2cncnc21 ZINC000169707670 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nc4ccccc4n3)c2)c2cncnc21 ZINC000169707676 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cn4ccccc4n3)c2)c2cncnc21 ZINC000169707691 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nnc4ccccc43)c2)c2cncnc21 ZINC000169707696 IG Annotated Anodyne COc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 ZINC000169707708 IG Annotated Anodyne CSc1ncc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 ZINC000169707715 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cn3)c2)c2cncnc21 ZINC000169707717 IG Annotated Mild Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)cc(F)cc3F)c2)c2cncnc21 ZINC000169707722 IG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)ccc(F)c3F)c2)c2cncnc21 ZINC000169707723 IG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)cc(F)c3F)c2)c2cncnc21 ZINC000169707728 IG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)c(F)cc3F)c2)c2cncnc21 ZINC000169707735 IG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)c(F)c(F)c3)c2)c2cncnc21 ZINC000169707738 IG Annotated Anodyne Cc1nn(C)cc1CC(=O)Nc1cncc(C(=O)c2cn(C(C)(C)C)c3ncncc23)c1 ZINC000169707756 IG Annotated Anodyne O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 ZINC000169707776 IG Annotated Anodyne O=C(Cc1cccc(Cl)c1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 ZINC000169707777 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C#N)cc3)c2)c2cnc(N)nc21 ZINC000169707801 IG Annotated Mild CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 ZINC000169707802 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H](CO)c3ccccc3)c2)c2cncnc21 ZINC000169707884 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](CO)c3ccccc3)c2)c2cncnc21 ZINC000169707885 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4c(c3)OCCO4)c2)c2cncnc21 ZINC000169707968 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnn(CCC#N)c3)c2)c2cncnc21 ZINC000169707973 IG Annotated Mild Cc1nc2ncccn2c1C(=O)Nc1cncc(C(=O)c2cn(C(C)C)c3ncncc23)c1 ZINC000169707981 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4c(cn3)OCCO4)c2)c2cncnc21 ZINC000169708023 IG Annotated Anodyne Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)cc1CN1CC(O)C1 ZINC000169709010 IG Annotated Anodyne Cc1cn(-c2nc(Nc3ccc4c(c3)c(Cl)nn4C)ncc2F)cc1CN1CC(O)C1 ZINC000169709019 IG Annotated Anodyne C[C@H](NC(=O)CC#N)c1ccc(O[C@@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709629 IG Annotated Mild C[C@H](NC(=O)CC#N)c1ccc(O[C@H]2CCN(c3ccnc(OCC(F)F)c3)C2)cc1 ZINC000169709630 IG Annotated Mild C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(O[C@@H]4CCOC4)c3)C2)cc1 ZINC000169709812 IG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C[C@@H]4CCOC4)n3)C2)cc1 ZINC000169709898 IG Annotated Anodyne O=C(NC1[C@@H]2CNC[C@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710673 IG Annotated Anodyne O=C(NC1[C@H]2CNC[C@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710674 IG Annotated Anodyne O=C(NC1[C@@H]2CNC[C@@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710675 IG Annotated Anodyne O=C(NC[C@@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710693 IG Annotated Anodyne O=C(NC[C@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710694 IG Annotated Anodyne O=C(NC[C@@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710695 IG Annotated Anodyne O=C(NC[C@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710696 IG Annotated Anodyne CC(C)(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 ZINC000169710814 IG Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169710970 IG Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3cccs3)c(=O)n2Cc2ccccc2)c1O ZINC000169711012 IG Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CC2CCCC2)c1O ZINC000169711100 IG Annotated Anodyne Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O ZINC000169711362 IG Annotated Anodyne COc1ccc(COc2cnn(CC(=O)c3ccc([C@@H](C)N(C)C)cc3C)c(=O)c2)nc1 ZINC000169711367 IG Annotated Anodyne COc1ccc(COc2cnn(CC(=O)c3ccc([C@H](C)N(C)C)cc3C)c(=O)c2)nc1 ZINC000169711368 IG Annotated Anodyne Cc1cc(CN2CCO[C@@H](C)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711440 IG Annotated Anodyne Cc1cc(CN2CCO[C@H](C)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711441 IG Annotated Anodyne CCNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1 ZINC000169711458 IG Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)nc(C(F)(F)F)c4C3)ncnn12 ZINC000169711719 IG Annotated Anodyne CCn1c(C2CC2)nc2c(c1=O)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 ZINC000169711777 IG Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000169715199 IG Annotated Clean O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc2c(c1)OCCO2 ZINC000169718847 IG Annotated Anodyne CC(C)(C)CCN1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)[C@@H]1C1CCCCC1 ZINC000169719341 IG Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](Cc1ccccc1)N2 ZINC000169719755 IG Annotated Anodyne COc1cc([C@@H]2C[C-](c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])N=N2)cc(OC)c1OC ZINC000169720348 IG Annotated Anodyne COc1cc([C@H]2C[C-](c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])N=N2)cc(OC)c1OC ZINC000169720349 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000169720535 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000169720536 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000169720537 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1OC ZINC000169720538 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000169720539 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000169720540 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000169720541 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 ZINC000169720542 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000169720543 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000169720544 IG Annotated Anodyne CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000169720545 IG Annotated Anodyne CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000169720546 IG Annotated Anodyne C/C(=N\N=C(/O)N1CCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O ZINC000169724131 IG Annotated Mild O=c1n(Cc2ccnc3ccccc23)cc(O)n1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000169724685 IG Annotated Anodyne C=[S@@](=O)(/N=C/[C@@H](C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727214 IG Annotated Mild C=[S@](=O)(/N=C/[C@@H](C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727215 IG Annotated Mild C=[S@@](=O)(/N=C/[C@H](C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727216 IG Annotated Mild C=[S@](=O)(/N=C/[C@H](C#N)C(=O)c1ccco1)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000169727217 IG Annotated Mild CCc1c(CC[PH](O)(O)CC(=O)CC(=O)O)n(-c2ccc(F)cc2)c2ccccc12 ZINC000169728572 IG Annotated Anodyne CC(C)Cn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCOCC4)n3)cc2)c1=O ZINC000169729158 IG Annotated Anodyne CC(C)C(=O)OCC1(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CCCC1 ZINC000169729805 IG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CN(CCN3CCOCC3)C[C@@H]2[C@@H](c2ccccc2)N1 ZINC000169730308 IG Annotated Anodyne S=C1N=C2/C(=C/c3ccccc3)CN(CCN3CCOCC3)C[C@H]2[C@@H](c2ccccc2)N1 ZINC000169730309 IG Annotated Anodyne Cc1ccc(N2C(=O)C[C@@H](N(C(=O)CSc3ncccn3)C3CCCCC3)C2=O)cc1 ZINC000017166922 IG Annotated Anodyne Nc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3c(O)nc(=S)[nH]c3[nH]2)cc1 ZINC000017190705 IG Annotated Bother O=C1[C@@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000017193289 IG Annotated Anodyne O=C1[C@H]2C3c4ccccc4C([C@@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000017193292 IG Annotated Anodyne O=C1[C@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000017193295 IG Annotated Anodyne COc1ccc([C@]23C(=O)c4ccccc4N2O[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000017195346 IG Annotated Anodyne COc1ccc([C@@]23C(=O)c4ccccc4N2O[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 ZINC000017195348 IG Annotated Anodyne COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N2CCOCC2)cc1 ZINC000017196005 IG Annotated Mild CCOC(=O)N1C=N[C@@]23[C@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C ZINC000017217640 IG Annotated Anodyne C/C(=N/NC(=S)N1CCCCC1)c1cccc(/C(C)=N\NC(=S)N2CCCCC2)n1 ZINC000017253065 IG Annotated Mild CCOP(=O)(OCC)[C@](C)(CC)NC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N1 ZINC000017254621 IG Annotated Anodyne COC(=O)CCc1cc(OC)c(O)c([C@@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 ZINC000017258118 IG Annotated Anodyne Cc1n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2c([n+]1CC(C)C)C(=O)c1ccccc1C2=O ZINC000017353739 IG Annotated Clean C[C@@H](NC(=S)NCc1ccc([Si](C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000170125955 IG Annotated Anodyne N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(Cl)cc2Cl)CC1 ZINC000170188884 IG Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(Cl)cc2Cl)CC1 ZINC000170188885 IG Annotated Reactive N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 ZINC000170188917 IG Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(Cl)c(Cl)c1 ZINC000170188920 IG Annotated Reactive N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 ZINC000170188921 IG Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 ZINC000170188924 IG Annotated Reactive C=CCN1/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c1ncn(C)c2=O ZINC000017951698 IG Annotated Mild COCCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N/c1ccccc1 ZINC000017993280 IG Annotated Mild C[N+]1(Cc2ccccc2)CCC(/N=C/[C@@H]2C(=O)N=C(O)N(C3CCCCC3)C2=O)CC1 ZINC000018057685 IG Annotated Mild C[N+]1(Cc2ccccc2)CCC(/N=C/[C@H]2C(=O)N=C(O)N(C3CCCCC3)C2=O)CC1 ZINC000018057688 IG Annotated Mild Cc1cc(C(=O)N/N=C/c2cccc(OC(=O)c3cccc(Br)c3)c2)[nH]n1 ZINC000018097820 IG Annotated Reactive CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)c3C2=O)CC1 ZINC000018118242 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000018178067 IG Annotated Mild COc1ccc(/C=C/C(=O)c2c(O)n(CCC3=CCCCC3)c(=O)[nH]c2=O)cc1OC ZINC000018204219 IG Annotated Mild COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019084843 IG Annotated Anodyne COc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 ZINC000019084845 IG Annotated Anodyne CSc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)c(N3CCC(O)CC3)n2)cc1 ZINC000019145740 IG Annotated Anodyne CSc1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)c(N3CCC(O)CC3)n2)cc1 ZINC000019145743 IG Annotated Anodyne COCc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 ZINC000019146432 IG Annotated Anodyne COCc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)o1 ZINC000019146434 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000019211181 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCc3ccccc3C2)cc1 ZINC000019211184 IG Annotated Anodyne CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1cc(COc2cncc(Cl)c2)on1 ZINC000019224419 IG Annotated Anodyne CN(C[C@@H]1Cc2ccccc2CN1C)C(=O)c1cc(COc2cncc(Cl)c2)on1 ZINC000019224423 IG Annotated Anodyne COc1cccc(-n2cc(CNCc3c(C(=O)N(C)C)nc4ccc(Cl)cn34)cn2)c1 ZINC000019226887 IG Annotated Anodyne C=CCOC(=O)N[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@@H]2CC(=O)[C@@H]1c1cc(O)ccc12 ZINC000194868297 IG Annotated Mild C=CCOC(=O)N[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194868326 IG Annotated Mild C=CCOC(=O)N[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@@H]2CC(=O)[C@@H]1c1cc(O)ccc12 ZINC000194868344 IG Annotated Mild C=CCOC(=O)N[C@@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194868359 IG Annotated Mild COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@@H]1CO[C@@H]2[C@H]13 ZINC000194898857 IG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@@H]1CO[C@H]2[C@H]13 ZINC000194898875 IG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1CO[C@@H]2[C@H]13 ZINC000194898892 IG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1CO[C@H]2[C@H]13 ZINC000194898911 IG Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000194959856 IG Annotated Mild CCCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502187 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000019638064 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000019638068 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000019638124 IG Annotated Mild Cc1cccnc1CN1CCN(C(=O)c2cc(COc3ccc4ncccc4c3)on2)CC1 ZINC000019742884 IG Annotated Anodyne COc1cccc(CN2CCN(Cc3ccc4c(NC(C)=O)cccc4n3)C[C@@H]2CCO)c1 ZINC000019757402 IG 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COCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccco2)C1=O ZINC000199245225 IG Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248591 IG Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000199248604 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000199354804 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 ZINC000199354820 IG Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000199388975 IG Annotated Anodyne COC/C=C/c1cc(OC)c(O[C@@H](CO)[C@@H](OC)c2cc(O)cc(OC)c2)c(OC)c1 ZINC000199631598 IG Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(C)C2 ZINC000199732568 IG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1Cc2ccc(Br)cc2-n2nncc2C1 ZINC000199736045 IG Annotated Anodyne Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3cccc(Br)c31)C1=C(CCCC1=O)O2 ZINC000199741503 IG Annotated Mild Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N(C)c3c(Br)cccc31)C1=C(CCCC1=O)O2 ZINC000199741540 IG Annotated Mild O=C(O)CCCC#C/C=C/[C@H](O)[C@H](O)CC/C=C(Br)\C=C/Br ZINC000199768645 IG Annotated Mild O=C(O)CCCC#C/C=C/[C@@H](O)[C@H](O)CC/C=C(Br)\C=C/Br ZINC000199770771 IG Annotated Mild CC(C)NCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000002001379 IG Annotated Anodyne CCOC(=O)NC(=O)CN(C)C(=O)c1c(F)ccc2c(C(F)(F)F)c(OC)ccc12 ZINC000002006563 IG Annotated Anodyne CC(C)[C@@H](/C(O)=N/C[C@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002130011 IG Annotated Mild CC(C)[C@@H](/C(O)=N/C[C@@H]1CCCO1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002130012 IG Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)/C(O)=N/Cc2ccco2)C(=O)[C@@]31C ZINC000002160469 IG Annotated Mild C[C@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000002387856 IG Annotated Anodyne C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C\c1cccc(OC)c1OC ZINC000002417335 IG Annotated Mild COc1ccccc1C(=O)N1[C@@H](CC(=O)Nc2ccccc2C)C(=O)N[C@H]2CCCC[C@H]21 ZINC000002433704 IG Annotated Anodyne Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NC[C@H]4CCCO4)nn3c2C)cc1 ZINC000002458778 IG Annotated Anodyne Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NC[C@@H]4CCCO4)nn3c2C)cc1 ZINC000002458779 IG Annotated Anodyne O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)CS2)N1CCC2(CC1)OCCO2 ZINC000002458807 IG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccc(C)o3)c21 ZINC000002459253 IG Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCc4ccccc43)c21 ZINC000002459274 IG Annotated Anodyne Cc1ccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)o1 ZINC000002459305 IG Annotated Anodyne Cc1nnc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)s1 ZINC000002461695 IG Annotated Anodyne CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 ZINC000002464771 IG Annotated Anodyne O=C(Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21)NCCC1=CCCCC1 ZINC000002466688 IG Annotated Anodyne CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NC3CCCC3)c2=O)cc1 ZINC000002466826 IG Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Br)s1 ZINC000002467844 IG Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)c1ccc(Br)s1 ZINC000002467846 IG Annotated Anodyne O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 ZINC000002469230 IG Annotated Anodyne O=C(Nc1cccc2c1CCCC2)[C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 ZINC000002469232 IG Annotated Anodyne COc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002478522 IG Annotated Bother COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480261 IG Annotated Bother COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002480266 IG Annotated Bother O=C(NCCOCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480344 IG Annotated Bother CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCCOCCO ZINC000002480870 IG Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCOCCO)cc1 ZINC000002480920 IG Annotated Anodyne COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480927 IG Annotated Bother O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482057 IG Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCO)c([N+](=O)[O-])cc1OC ZINC000002482067 IG Annotated Bother COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483164 IG Annotated Bother COCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002483170 IG Annotated Bother O=C(NCCOCCO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483258 IG Annotated Bother CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCOCCO ZINC000002483786 IG Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCO)cc1OC ZINC000002483852 IG Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCOCCO ZINC000002483864 IG Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487453 IG Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487456 IG Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487459 IG Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487461 IG Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487774 IG Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487776 IG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487777 IG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000002487780 IG Annotated Anodyne CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000002487862 IG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487941 IG Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002489432 IG Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002489434 IG Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002489436 IG Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002489437 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491672 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491673 IG Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491675 IG Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491678 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491762 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491764 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491769 IG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 ZINC000002491772 IG Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491953 IG Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002491955 IG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000002492631 IG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(N)=O)ccc1O2 ZINC000002492633 IG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc12 ZINC000002499050 IG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@@H]1c1c[nH]c2ccccc12 ZINC000002499061 IG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 ZINC000002499066 IG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 ZINC000002499071 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000020028943 IG Annotated Mild C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC(=O)OCC)=C(C#N)[C@H]1c1cccnc1 ZINC000020057947 IG Annotated Reactive C=CCO/C(O)=C1\C(C)=NC(SCC(=O)NC(=O)OCC)=C(C#N)[C@@H]1c1cccnc1 ZINC000020057948 IG Annotated Reactive COc1ccc2nc(N3CCC(/C(O)=N/CCCN4CCN(C)CC4)CC3)sc2c1 ZINC000020113880 IG Annotated Mild COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(C)C)(C(=O)O)N[C@H]2c1ccccc1F ZINC000020138191 IG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@](CC(C)C)(C(=O)O)N[C@H]2c1cccs1 ZINC000020138245 IG Annotated Anodyne COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 ZINC000020138377 IG Annotated Anodyne COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 ZINC000020138383 IG Annotated Anodyne COc1cccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c1 ZINC000020138404 IG Annotated Anodyne CCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150604 IG Annotated Clean COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000020150612 IG Annotated Anodyne CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccc(F)cc3)c(C#N)cc2c1 ZINC000020151352 IG Annotated Mild COc1ccc(-c2[nH]c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(=O)c2C#N)cc1 ZINC000020154985 IG Annotated Mild OCCN1CCN(Cc2ccc3c(c2)CN(Cc2ccc4ccccc4c2)CCO3)CC1 ZINC000020207370 IG Annotated Anodyne COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1 ZINC000020215846 IG Annotated Anodyne CCCCN(C)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O ZINC000020240375 IG Annotated Anodyne Cc1c(NC(=O)N2CCC3(CC2)OCCO3)sc2nc3n(c(=O)c12)CC[C@H](C)CC3 ZINC000020385502 IG Annotated Anodyne Cc1c(NC(=O)N2CCC3(CC2)OCCO3)sc2nc3n(c(=O)c12)CC[C@@H](C)CC3 ZINC000020385507 IG Annotated Anodyne Cc1cccc(CCNC(=O)c2ccc(C/N=c3\c(O)c(O)\c3=N/C3CCCC3)cc2)c1 ZINC000020414315 IG Annotated Anodyne Cc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)no1 ZINC000020416047 IG Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N4CCc5ccccc5C4)CC3)c(=O)c2=O)CC1 ZINC000020418533 IG Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)c(=O)c2=O)CC1 ZINC000020418578 IG Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)c(=O)c2=O)CC1 ZINC000020418582 IG Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)c(=O)c2=O)CC1 ZINC000020418586 IG Annotated Anodyne CC1CCN(c2c(NCC3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)c(=O)c2=O)CC1 ZINC000020418589 IG Annotated Anodyne O=C(NCCC1=CCCCC1)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000020418725 IG Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000020480042 IG Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 ZINC000020480044 IG Annotated Anodyne C=CCOC(=O)N[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200064568 IG Annotated Mild CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 ZINC000200168348 IG Annotated Anodyne O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2Cl)CC1 ZINC000201460600 IG Annotated Anodyne O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000201470676 IG Annotated Anodyne CCN(C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccccc1C ZINC000201471483 IG Annotated Bother CCN(C(=O)COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000201471534 IG Annotated Bother COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2)o1 ZINC000201476037 IG Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000201480337 IG Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCC1CCCCC1 ZINC000201480441 IG Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)[C@]2(C(=O)OC)CCCCC=C12 ZINC000201480817 IG Annotated Mild CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3ccccc3s2)c1 ZINC000201486031 IG Annotated Anodyne CN1CCCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1 ZINC000201486259 IG Annotated Anodyne CCCCS(=O)(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 ZINC000201975927 IG Annotated Anodyne C=CCOC(=O)N[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000202542620 IG Annotated Mild CCOC(=O)[C@@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@@H]1CC4=O)[C@]31CC[C@](CC)(OC)OC1 ZINC000203452975 IG Annotated Mild CCOC(=O)[C@@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@H]1CC4=O)[C@]31CC[C@](CC)(OC)OC1 ZINC000203453487 IG Annotated Mild CCO[C@@]1(CC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000203453494 IG Annotated Mild CCO[C@@]1(CC)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@]42CN(C)C1 ZINC000203453500 IG Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCCC1 ZINC000203455972 IG Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464167 IG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)COc3ccccc3[C@H]2c2nnnn2C2CCCC2)c1 ZINC000203465575 IG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)COc3ccccc3[C@@H]2c2nnnn2C2CCCC2)c1 ZINC000203465583 IG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)Cn2nccc2C(=O)N1Cc1ccc(F)cc1 ZINC000203465727 IG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)Cn2nccc2C(=O)N1Cc1ccc(F)cc1 ZINC000203465735 IG Annotated Anodyne COc1ccc(CN2C(=O)c3ccnn3C[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000203465769 IG Annotated Anodyne COc1ccc(CN2C(=O)c3ccnn3C[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000203465776 IG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSCC[C@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465836 IG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CSCC[C@@]2(C)c2nnnn2C2CCCC2)c1 ZINC000203465840 IG Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCCC1 ZINC000203466454 IG Annotated Anodyne C#CCNC(=O)C[C@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCC[C@@]21C(=O)OCC ZINC000203469327 IG Annotated Mild COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470276 IG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(c3ccccc3)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 ZINC000203471109 IG Annotated Anodyne C#CCNC(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2)C2=CCCCC[C@]21C(=O)OC ZINC000203472253 IG Annotated Mild CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OCC)CCCC3=C2N(CCC3)C1=O ZINC000203472547 IG Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 ZINC000203473696 IG Annotated Anodyne CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@H]3C)[C@@](C)(O)C1=O ZINC000203526845 IG Annotated Anodyne CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@H]3C)[C@](C)(O)C1=O ZINC000203526848 IG Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000203532385 IG Annotated Anodyne COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000203532389 IG Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000203532390 IG Annotated Anodyne COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000203532392 IG Annotated Anodyne O=S(=O)(c1ccc(-c2nccc(CNC3(CO)CCCCC3)n2)cc1)C(F)(F)F ZINC000204412699 IG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1F ZINC000204414540 IG Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000204894525 IG Annotated Anodyne Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1 ZINC000204894545 IG Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCNCC6)cc5c4)n3c2)cn1 ZINC000204946456 IG Annotated Anodyne CN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000020532650 IG Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000020586792 IG Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 ZINC000020586795 IG Annotated Anodyne CCNC(=O)[C@@H]1C[C@@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1cccc(OC)c1OC ZINC000020600249 IG Annotated Anodyne Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000020756216 IG Annotated Anodyne Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@@H]3C)c(=O)c12 ZINC000020756221 IG Annotated Anodyne Cc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)n1 ZINC000020756247 IG Annotated Anodyne Cc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)n1 ZINC000020756252 IG Annotated Anodyne COc1cccc(CCNc2ncnc3sc(C(=O)N4CCN(C)CC4)c(C)c23)c1 ZINC000020864773 IG Annotated Anodyne CO[C@@H](c1ccccc1)c1nnc(CCC(=O)N2CCN(Cc3cccs3)CC2)o1 ZINC000020912327 IG Annotated Anodyne CO[C@H](c1ccccc1)c1nnc(CCC(=O)N2CCN(Cc3cccs3)CC2)o1 ZINC000020912331 IG Annotated Anodyne N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1 ZINC000205000673 IG Annotated Mild N#C[C@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000205037315 IG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000205037332 IG Annotated Mild N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1 ZINC000205037371 IG Annotated Mild Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@H](N)C6)cc5c4)n3c2)cn1 ZINC000205070511 IG Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@@H](N)C6)cc5c4)n3c2)cn1 ZINC000205070531 IG Annotated Anodyne N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)N3CCOCC3)c2n1 ZINC000205099372 IG Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(Cc2c(O)c(C)c(CC)oc2=O)c(O)c(C(=O)C(C)C)c1O ZINC000205169941 IG Annotated Mild O=C(NCc1ccc(F)c(F)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205207470 IG Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc(-n4cccc4)cc3)OC2=NC1=O ZINC000205209586 IG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205213826 IG Annotated Anodyne O=C(NCc1ccco1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205217787 IG Annotated Anodyne O=C(NCC1CCOCC1)c1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)n1 ZINC000205219157 IG Annotated Anodyne O=C(c1csc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1)N1CCOCC1 ZINC000205219197 IG Annotated Anodyne O=C(NCc1ccc(F)c(F)c1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205219619 IG Annotated Anodyne Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc(F)c(Cl)c3)=COC2=NC1=O ZINC000205224119 IG Annotated Anodyne Cc1noc(C)c1CN1CCN2C(C(=O)Nc3cccc(C(F)(F)F)c3)=COC2=NC1=O ZINC000205233614 IG Annotated Anodyne COc1ccc(Br)c(C(=O)Nc2cnn(C(C)(C)C(=O)NCC(C)C)c2)c1 ZINC000205233817 IG Annotated Anodyne COc1ccc(-c2cnn(C(C)(C)C(=O)NCc3ccc4c(c3)OCCO4)c2)cc1OC ZINC000205234513 IG Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCOC[C@@H]2c2cc(C(=O)NCc3ccccc3)no2)c1 ZINC000205234628 IG Annotated Anodyne Cc1ccc(C)c(CC(=O)N2CCOC[C@H]2c2cc(C(=O)NCc3ccccc3)no2)c1 ZINC000205234641 IG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cc(=O)nc[nH]4)ccn23)c1 ZINC000205244294 IG Annotated Anodyne CC(C)=C[C@H]1O[C@@]2(C)CC[C@]3(OC(=O)C=C3C)O[C@@]13[C@@H](C)[C@@H]1CC[C@H](C)[C@]1(O)C(=O)[C@@H]23 ZINC000205398806 IG Annotated Anodyne N#Cc1cc(Oc2ccc(-c3cccc([C@H](O)[C@@H](O)C(N)=O)n3)cc2)ccc1C(F)(F)F ZINC000205474117 IG Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CC3CCCCC3)cc21 ZINC000205479978 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@@H](C)c3ccccc3)cc21 ZINC000205480059 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@H](C)c3ccccc3)cc21 ZINC000205480082 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000205480952 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(Cc2ccccc2)c2ccc(Cl)cc21 ZINC000205480969 IG Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(F)F)CN1 ZINC000205484526 IG Annotated Anodyne C=C[C@@](C)(CC/C=C(\C)CC[C@]1(C)C(CO)=CCC[C@H]1C)S(=O)(=O)CCN=C(N)N ZINC000205655252 IG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@@H]2[C@@H](C(C)=C[C@H]2OC(=O)/C(C)=C\C)[C@@H]2OC(=O)C(C)=C12 ZINC000205669133 IG Annotated Anodyne COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@H]2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000205700814 IG Annotated Reactive COc1ccc(C[C@H](O)C(C)(C)O)c2oc3cc(C)c4c(c3c(=O)c12)C=C(C(C)=O)CO4 ZINC000205701260 IG Annotated Mild COc1ccc(C[C@@H](O)C(C)(C)O)c2oc3cc(C)c4c(c3c(=O)c12)C=C(C(C)=O)CO4 ZINC000205701280 IG Annotated Mild COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[C@@H]2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000205703405 IG Annotated Reactive COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@@H]2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000205703431 IG Annotated Reactive COC(=O)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[C@H]2C[C@H]1S(=O)(=O)c1ccccc1 ZINC000205703450 IG Annotated Reactive COC(=O)[C@H]1C[C@]2([C@H](C=C(C)C)S(=O)(=O)c3ccccc3)c3ccccc3N[C@H]2N1 ZINC000205717998 IG Annotated Anodyne COC(=O)[C@H]1C[C@]2([C@@H](C=C(C)C)S(=O)(=O)c3ccccc3)c3ccccc3N[C@H]2N1 ZINC000205718020 IG Annotated Anodyne CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1Cc1ccccc1F ZINC000205787857 IG Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@@H]2[C@@H](C(C)=C[C@H]2OC(=O)/C(C)=C\C)[C@@H]2OC(=O)[C@H](C)[C@H]12 ZINC000205834945 IG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]12 ZINC000205834971 IG Annotated Anodyne C=C1C[C@@]2(O)O[C@H]([C@@H]3[C@@H](C(C)C)CC[C@@](C)(OC(C)=O)[C@@H]32)[C@](C)(OC(C)=O)CCC1=O ZINC000205846859 IG Annotated Mild COc1ccc(OC)c(CN[C@](C)(CCCCC(=O)O)c2nnnn2C2CCCC2)c1 ZINC000205857381 IG Annotated Anodyne COc1ccc(OC)c(CN[C@@](C)(CCCCC(=O)O)c2nnnn2C2CCCC2)c1 ZINC000205857404 IG Annotated Anodyne CCCCn1nnnc1[C@H](NCc1ccccc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205859302 IG Annotated Anodyne CCCCn1nnnc1[C@@H](NCc1ccccc1NC(=O)OC(C)(C)C)C(=O)OCC ZINC000205859316 IG Annotated Anodyne CCOC(=O)[C@@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCCC1 ZINC000205859598 IG Annotated Anodyne CCOC(=O)[C@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCCC1 ZINC000205859612 IG Annotated Anodyne CCCCNC(=O)[C@@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)C(=O)c1ccccc1 ZINC000205859831 IG Annotated Anodyne CCCCNC(=O)[C@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)C(=O)c1ccccc1 ZINC000205859848 IG Annotated Anodyne CCCCNC(=O)[C@@H](C(C)=O)N(CCc1ccccc1F)C(=O)C(=O)c1cccs1 ZINC000205862701 IG Annotated Anodyne CCCCNC(=O)[C@H](C(C)=O)N(CCc1ccccc1F)C(=O)C(=O)c1cccs1 ZINC000205862719 IG Annotated Anodyne CC(=O)Nc1ccc(NC(=O)C2=COC3=NC(=O)N(Cc4ccccc4C)CCN23)cc1 ZINC000206018734 IG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000206020139 IG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]12 ZINC000206020164 IG Annotated Anodyne Cc1ccccc1C1=NO[C@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000206020186 IG Annotated Anodyne Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000206020209 IG Annotated Anodyne O=C(NC1CCCCC1)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccn3)cc1)C2 ZINC000206022761 IG Annotated Anodyne CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000206045676 IG Annotated Bother CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000206045696 IG Annotated Bother CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000206045717 IG Annotated Bother CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc([N+](=O)[O-])ccc32)c2ccccc21 ZINC000206045738 IG Annotated Bother CN1CCN(C(=O)c2ccc(N3C[C@H]4ON=C(c5c(F)cccc5Cl)[C@@H]4C3)cc2)CC1 ZINC000206057332 IG Annotated Anodyne CN1CCN(C(=O)c2ccc(N3C[C@H]4ON=C(c5c(F)cccc5Cl)[C@H]4C3)cc2)CC1 ZINC000206057356 IG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(OCc3cccc4[nH]ncc34)nccc2c1 ZINC000206093300 IG Annotated Anodyne Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCN(Cc5ccccc5)CC4)c3c2c1 ZINC000206492809 IG Annotated Anodyne Cc1sc2nc(COC(=O)CNC(=O)c3c(Cl)cccc3Cl)[nH]c(=O)c2c1C ZINC000206493946 IG Annotated Anodyne CC1=CC(=O)O[C@H]1CC[C@@]1(C)O[C@@]2(CC(C)C)O[C@H]3C[C@H](C)[C@H]4C(=O)[C@@H]1[C@]2(O)[C@H](C)[C@@H]34 ZINC000206809639 IG Annotated Anodyne CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H]2c3cc(F)cc(C)c3C[C@H]2O)C1 ZINC000206891434 IG Annotated Mild COc1ccc2c(c1OC)-c1c(OC(C)=O)c(OC)cc3c1[C@H](C2)N(C)C[C@@H]3OC(C)=O ZINC000206972712 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000206993420 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F ZINC000206993543 IG Annotated Anodyne CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cnc2ccccn12 ZINC000207748712 IG Annotated Anodyne CCN1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098234 IG Annotated Anodyne aggregator CCN1CCN([C@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 ZINC000021098239 IG Annotated Anodyne aggregator CC(C)(C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210463131 IG Annotated Bother CCCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210463176 IG Annotated Bother N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cn2c1 ZINC000210929467 IG Annotated Mild Cn1cnc(S(=O)(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)c1 ZINC000211061547 IG Annotated Anodyne C[C@@H](CC(=O)NC(=O)c1coc(/C=C\CCCCCCCCC(=O)O)cc1=O)C(=O)O ZINC000211433182 IG Annotated Anodyne CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3C[C@H]4[C@H](N)C[C@]4(C)C3)c12 ZINC000211517773 IG Annotated Anodyne CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2Cl)cc1NC1CC1 ZINC000213700606 IG Annotated Mild O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccc(Cl)c(F)c1 ZINC000214085729 IG Annotated Anodyne COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3)C(C)C ZINC000214566966 IG Annotated Anodyne COC(=O)[C@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3)C(C)C ZINC000214567027 IG Annotated Anodyne COC(=O)[C@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C ZINC000214567077 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2ccc(C#N)cc2)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000021660012 IG Annotated Mild CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2C3CC4CC(C3)CC2C4)cc1F ZINC000216198411 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)cc1F ZINC000216198473 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)cc1F ZINC000216201073 IG Annotated Anodyne O=C(NS(=O)(=O)CCO)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000216203176 IG Annotated Anodyne Cc1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 ZINC000216203505 IG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2(C)CCC(F)(F)CC2)cc1F ZINC000216241127 IG Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OCC2CCCCC2)cc1F ZINC000216241881 IG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000216247959 IG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3)cc1F ZINC000216256638 IG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3)cc1F ZINC000216256685 IG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3)cc1F ZINC000216256718 IG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3)cc1F ZINC000216256758 IG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2(F)CCCCC2)cc1F ZINC000216258445 IG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OC2CCC(F)(F)CC2)cc1F ZINC000216261537 IG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCC(F)(F)CC2)cc1F ZINC000216261796 IG Annotated Anodyne N#CC1(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2C2CC2)CCCCC1 ZINC000216262120 IG Annotated Mild CC1(F)CCC(COc2cc(F)c(C(=O)NS(=O)(=O)N3CCC3)cc2Cl)CC1 ZINC000218353838 IG Annotated Anodyne COC12CC3C[C@@H](C1)C(Oc1cc(F)c(C(=O)NS(C)(=O)=O)cc1Cl)[C@@H](C3)C2 ZINC000218399205 IG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000218506194 IG Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2ccnn2)n1 ZINC000218533945 IG Annotated Anodyne O=C(c1ccccc1-n1cnnc1)N1C[C@H]2C[C@@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000218547574 IG Annotated Anodyne CCCS(=O)(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218792959 IG Annotated Anodyne CCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 ZINC000218793030 IG Annotated Anodyne C/C(=N\O)c1ccc2nnc(Sc3ccc4ncc(CN5CCOCC5)cc4c3)n2c1 ZINC000218803806 IG Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC2(Cc3ccccc3C2)c2ccc(Cl)cc21 ZINC000219001720 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Oc3ccccc3C)cc21 ZINC000219002005 IG Annotated Anodyne CNCCN1CCc2c(nc(-n3c(CN)cc4ccccc43)nc2NCc2ccccc2)C1 ZINC000219003311 IG Annotated Anodyne NC(=O)COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 ZINC000219011840 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccc(C)s3)cc21 ZINC000219015285 IG Annotated Anodyne C=C(c1ccccc1)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1COC ZINC000219020155 IG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3cc4ccccc4o3)cc21 ZINC000219042161 IG Annotated Anodyne N#C[C@H](Cc1ccc(-c2cnn(-c3ccccc3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219291762 IG Annotated Mild COC(=O)c1cc(C)c(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)s1 ZINC000219297749 IG Annotated Mild CNc1nc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)cc2[nH]1 ZINC000219313746 IG Annotated Mild COC(=O)c1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 ZINC000219319052 IG Annotated Mild N#C[C@@H](Cc1ccc(-c2cnn(-c3ccccc3)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219319593 IG Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nc(C2CC2)no1 ZINC000219436133 IG Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1n[nH]c(C2CC2)n1 ZINC000219477542 IG Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCC[C@H](O)C3)c2cn1)c1ccccc1 ZINC000219749847 IG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H]3CCC[C@H](O)C3)c2cn1)c1ccccc1 ZINC000219749912 IG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCC[C@@H](O)C3)c2cn1)c1ccccc1 ZINC000219749966 IG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H]3CCC[C@@H](O)C3)c2cn1)c1ccccc1 ZINC000219750046 IG Annotated Anodyne COCCN(C)c1ncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1 ZINC000219757371 IG Annotated Anodyne COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 ZINC000219788413 IG Annotated Anodyne COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 ZINC000219788563 IG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccoc3)ccc1-2 ZINC000219794824 IG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccoc3)ccc1-2 ZINC000219794882 IG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccncc3)ccc1-2 ZINC000219808704 IG Annotated Anodyne O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccncc3)ccc1-2 ZINC000219808769 IG Annotated Anodyne CC(C)Nc1cc(Nc2ncc(C#N)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O ZINC000219902471 IG Annotated Mild O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cccnc3)ccc1-2 ZINC000219976337 IG Annotated Anodyne O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cccnc3)ccc1-2 ZINC000219976404 IG Annotated Anodyne O=C(O)COc1ccc(Br)cc1/C=N/Nc1nncc(-c2ccccc2)n1 ZINC000022023403 IG Annotated Mild CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21 ZINC000220152880 IG Annotated Anodyne CC(C)(C)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220169104 IG Annotated Mild CC(C)(C)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220169175 IG Annotated Mild CCn1ccc2cc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C5CC5)n4)n3)ccc21 ZINC000220170347 IG Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1 ZINC000220173241 IG Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1 ZINC000220173334 IG Annotated Anodyne Cc1nn(-c2ccnn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220179529 IG Annotated Anodyne Cc1nn(-c2ccnn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220179595 IG Annotated Anodyne CCN(c1cccc2c1C/C=C/CCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCNCC1 ZINC000220184259 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 ZINC000220201643 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 ZINC000220201710 IG Annotated Anodyne Cc1nn(-c2cncn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321916 IG Annotated Anodyne Cc1nn(-c2cncn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000220321981 IG Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)s1 ZINC000220467060 IG Annotated Mild CC1=C[C@]2(C=C(CO)[C@H]3CC(=O)C(C)=C[C@H]3O2)O[C@H](/C=C(\C)CC[C@H](O)C(C)(C)O)C1 ZINC000220558588 IG Annotated Mild Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C)n3n2)c1 ZINC000220642738 IG Annotated Anodyne COc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2n1 ZINC000220654159 IG Annotated Anodyne CNc1nc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc2n1C ZINC000220832274 IG Annotated Mild O=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccc(F)cc2)nn1)NO ZINC000220841073 IG Annotated Bother in-vitro O=C(c1ccc(F)cc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221038159 IG Annotated Anodyne O=C(c1c(F)cccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221042100 IG Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1 ZINC000221044611 IG Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221049195 IG Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1 ZINC000221058515 IG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1 ZINC000221059529 IG Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000221061421 IG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1 ZINC000221061991 IG Annotated Anodyne Cc1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(=O)oc2c(C=O)c(O)c(Cl)cc12 ZINC000221066015 IG Annotated Anodyne N#Cc1c(N)ncnc1N1CCC[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 ZINC000221086391 IG Annotated Mild N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)CN(CC(F)(F)F)C3=O)n1 ZINC000221098338 IG Annotated Mild N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc3c(c2)CN(CC(F)(F)F)C3=O)n1 ZINC000221098403 IG Annotated Mild N#C[C@H]1C[C@@H](C(=O)N2CC(F)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221111754 IG Annotated Mild N#C[C@H]1C[C@@H](N2CCC23COC3)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221172897 IG Annotated Mild N#C[C@H]1C[C@@H](NC2CCOCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221188887 IG Annotated Mild N#C[C@H]1C[C@@H](NC2CCOCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221188950 IG Annotated Mild N#C[C@H]1C[C@@H](C(=O)NC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221207773 IG Annotated Mild COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)[C@H]5O[C@H]6CN[C@H]5C6)ccc4c3c2)c1 ZINC000221258690 IG Annotated Anodyne COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)[C@@H]5O[C@H]6CN[C@H]5C6)ccc4c3c2)c1 ZINC000221258756 IG Annotated Anodyne CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)Cc3ccccn3)cc2)CC1 ZINC000221266359 IG Annotated Anodyne CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221276241 IG Annotated Anodyne Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000221281790 IG Annotated Anodyne Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 ZINC000221281849 IG Annotated Anodyne CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221285964 IG Annotated Anodyne N#Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O ZINC000221367802 IG Annotated Anodyne N#Cc1ccccc1COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O ZINC000221367859 IG Annotated Anodyne CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1ccc(OCc2ccccc2)nc1 ZINC000221635724 IG Annotated Mild CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1cc(Br)cnc1Cl ZINC000221637483 IG Annotated Mild CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@@H]32)[C@H]2C=C(N)C=CC2=N1 ZINC000221678385 IG Annotated Anodyne CC(C)(C)[Si](O[C@@H]1[C@H]2CCC3(OCCO3)[C@H]2C[C@H]1O)(c1ccccc1)c1ccccc1 ZINC000221738968 IG Annotated Reactive CC(C)(C)[Si](O[C@@H]1[C@@H](O)C[C@H]2[C@@H]1CCC21OCCO1)(c1ccccc1)c1ccccc1 ZINC000221739021 IG Annotated Reactive CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3c[nH]c4nccnc34)c2)c2cncnc21 ZINC000221755258 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4cn[nH]c4c3)c2)c2cncnc21 ZINC000221756709 IG Annotated Anodyne Cc1[nH]nc2ncc(C(=O)Nc3cncc(C(=O)c4cn(C(C)C)c5ncncc45)c3)cc12 ZINC000221758190 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ncc4c3)c2)c2cncnc21 ZINC000221758363 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4nc[nH]c4c3)c2)c2cncnc21 ZINC000221758446 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cn[nH]c4n3)c2)c2cncnc21 ZINC000221758868 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3[nH]nc4ncccc34)c2)c2cncnc21 ZINC000221759196 IG Annotated Anodyne N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000221832451 IG Annotated Mild CC(C)NC(=O)O[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221835342 IG Annotated Mild COC[C@H](C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221843009 IG Annotated Mild COC[C@@H](C)N[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221843069 IG Annotated Mild COC[C@H](C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221843131 IG Annotated Mild COC[C@@H](C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000221843189 IG Annotated Mild N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)nc2)n1 ZINC000221844363 IG Annotated Mild N#C[C@H]1C[C@H](NCc2ccccc2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221865536 IG Annotated Mild N#C[C@@H]1C[C@H](C(=O)NC2CC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221871065 IG Annotated Mild N#C[C@@H]1C[C@H](C(=O)N2CC(F)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1 ZINC000221871179 IG Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000221886510 IG Annotated Mild CC(C)NC(=O)O[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221890471 IG Annotated Mild Cc1ccc(C(=O)N2C[C@H]3C[C@@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2ccnn2)n1 ZINC000221913822 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@@H]3CCCO3)[nH]c12 ZINC000222325008 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cncn3C)[nH]c12 ZINC000222325293 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccnn3C)[nH]c12 ZINC000222325497 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cn(C)cn3)[nH]c12 ZINC000222325557 IG Annotated Anodyne Cc1[nH]ncc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 ZINC000222325892 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@H]3CCCO3)[nH]c12 ZINC000222326056 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccn[nH]3)[nH]c12 ZINC000222327002 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnn(C)c3)[nH]c12 ZINC000222327068 IG Annotated Anodyne Cc1nnc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)o1 ZINC000222327124 IG Annotated Anodyne Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C)[nH]c12 ZINC000222327253 IG Annotated Anodyne Cc1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C ZINC000222725730 IG Annotated Anodyne in-vitro COC1(CN(C)C)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 ZINC000222746057 IG Annotated Anodyne COCC1(OC)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 ZINC000222746503 IG Annotated Anodyne COC1(CCO)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 ZINC000222755609 IG Annotated Anodyne CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222974298 IG Annotated Mild N#C[C@H]1C[C@@H](NCc2ccccc2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000222974594 IG Annotated Mild CC1(CN[C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000222978803 IG Annotated Mild CC1(CN[C@H]2CC[C@@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)COC1 ZINC000222978874 IG Annotated Mild CN([C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1(C)COC1 ZINC000222979752 IG Annotated Mild CN([C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1)C1(C)COC1 ZINC000222979811 IG Annotated Mild COCCN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222981312 IG Annotated Mild COCCN(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1 ZINC000222981382 IG Annotated Mild CC(C)NC(=O)O[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222982634 IG Annotated Mild CC(C)NC(=O)O[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222982829 IG Annotated Mild Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1OCCc1ccc(O)cc1 ZINC000223389872 IG Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(F)c(Cl)c1 ZINC000223514956 IG Annotated Anodyne O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccc(F)c(Cl)c1 ZINC000223514993 IG Annotated Anodyne NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3 ZINC000223660625 IG Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-n3ccnn3)csc12)Cc1ccccc1 ZINC000223663754 IG Annotated Anodyne N[C@H](CNc1nc(-c2cc[n+]([O-])cc2)nc2c(-c3ccn[nH]3)csc12)Cc1ccccc1 ZINC000223664008 IG Annotated Anodyne C[C@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223677817 IG Annotated Mild C[C@@H](O)C#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223677865 IG Annotated Mild CNCC#Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223684085 IG Annotated Mild CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000223689639 IG Annotated Anodyne CCNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223690214 IG Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(C#CCO)csc12)Cc1ccccc1 ZINC000223693816 IG Annotated Mild N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCCO)csc12)Cc1ccccc1 ZINC000223694616 IG Annotated Mild CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000224017300 IG Annotated Anodyne CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000224017344 IG Annotated Anodyne Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)O)s3)C[C@@H]2Cl)c(Cl)c1Cl ZINC000224122180 IG Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3c(=O)[nH]c4ccccc43)c2F)cn1 ZINC000224553305 IG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3c(=O)[nH]c4ccccc43)c2F)cn1 ZINC000224553362 IG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2C#N)c(F)c1 ZINC000224690736 IG Annotated Mild CC(C)(C)[C@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1 ZINC000224698696 IG Annotated Anodyne CC(C)(C)[C@@H](NC(=O)[C@@H](CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1 ZINC000224698745 IG Annotated Anodyne CC(C)(C)[C@@H](NC(=O)[C@H](CCCc1ccccc1)CC(=O)NO)C(=O)Nc1ccncc1 ZINC000224698796 IG Annotated Anodyne C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 ZINC000224710278 IG Annotated Anodyne CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224719879 IG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@H]3O)cc2F)cn1 ZINC000224721543 IG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1 ZINC000224721636 IG Annotated Anodyne CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224725992 IG Annotated Anodyne NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1 ZINC000224726401 IG Annotated Anodyne CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224728522 IG Annotated Anodyne NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CCCC1 ZINC000224739932 IG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1 ZINC000224766171 IG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C#N)n2)c(F)c1 ZINC000224769203 IG Annotated Mild Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1 ZINC000224788258 IG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@H](O)C3)cc2F)cc1F ZINC000224799864 IG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC[C@@H](O)C3)cc2F)cc1F ZINC000224799920 IG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ncc(N)nc2C#N)c(F)c1 ZINC000224802224 IG Annotated Mild Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CO4)cc2F)cn1 ZINC000224802497 IG Annotated Anodyne CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1cnc(-c2cnc(N)nc2)c(F)c1 ZINC000224811380 IG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3[nH]c(=O)[nH]c3n2)c(F)c1 ZINC000224818114 IG Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1 ZINC000224859990 IG Annotated Anodyne CCCC(=O)c1c(OC)cc(OC)c2c1C(=O)c1c(OC)c(OC)cc(OC)c1C2=O ZINC000224883644 IG Annotated Clean CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1 ZINC000022574302 IG Annotated Anodyne Cc1cc(C)cc(NC(=O)CN2CCN(CC/N=C/C3=C(O)CC(C)(C)CC3=O)CC2)c1 ZINC000022802335 IG Annotated Mild CC1(C)CC(=O)C(/C=N/CCN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)=C(O)C1 ZINC000022804303 IG Annotated Mild COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 ZINC000022907227 IG Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)c1 ZINC000022907231 IG Annotated Anodyne COc1cc(-c2[nH]ncc2CN2CCN(Cc3cccs3)CC2)cc(OC)c1OC ZINC000022912998 IG Annotated Anodyne C=CCN1CCN(CCn2c(C)c(C(=O)OC(C)(C)C)c(C)c2C(=O)OCCC)CC1 ZINC000022930427 IG Annotated Mild Cc1ccc(-c2[nH]n(-c3ccccc3)c3nc(=O)c(CNCCN4CCOCC4)cc2-3)cc1 ZINC000022931295 IG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c([C@@H]3CCCN3C3CCOCC3)nccc2c1 ZINC000225052580 IG Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c([C@H]3CCCN3C3CCOCC3)nccc2c1 ZINC000225052622 IG Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225096743 IG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000225200728 IG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225222186 IG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F ZINC000225251580 IG Annotated Anodyne O=C(NCCO)c1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 ZINC000225602965 IG Annotated Anodyne N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(=O)NCCO)c2)cc1 ZINC000225603008 IG Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(N(C)CCN5CCCC5=O)n4)ccnc3[nH]2)CC1 ZINC000226053155 IG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12 ZINC000226057802 IG Annotated Anodyne COc1ccc(F)cc1-c1c(C#N)cnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)cc12 ZINC000226072453 IG Annotated Mild COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(=O)N(C)C)CC3)c(C#N)c12 ZINC000226073979 IG Annotated Mild COc1cnc(C(=O)Nc2cc(C)c(F)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)c(C)c1 ZINC000226080221 IG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(C)(=O)=O)CC3)c(C#N)c12 ZINC000226080638 IG Annotated Mild COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN(S(C)(=O)=O)CC3)c(C#N)c12 ZINC000226080736 IG Annotated Mild O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 ZINC000226085312 IG Annotated Anodyne COc1cnc2c(Nc3cc(Cl)c(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2n1 ZINC000226088124 IG Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227296703 IG Annotated Anodyne COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 ZINC000227309848 IG Annotated Anodyne COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC ZINC000023158019 IG Annotated Anodyne COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000230075520 IG Annotated Anodyne in-man COc1cc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000230075527 IG Annotated Anodyne in-man CCOc1cc([C@@H]2NC(=O)N[C@@H](c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O ZINC000230464650 IG Annotated Anodyne O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1ccc(-c2csnn2)cc1 ZINC000230559034 IG Annotated Anodyne CN(Cc1ccccc1)Cc1nnnn1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000230562964 IG Annotated Anodyne CNc1cc(Cn2c(C(=O)c3cc(C)cc(Cl)c3)c(C(C)C)c(=O)[nH]c2=O)ccn1 ZINC000230568279 IG Annotated Anodyne CC(C)[C@@H](CN1CCC(c2cccc(O)c2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000230816011 IG Annotated Anodyne CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000023844931 IG Annotated Anodyne C=C[C@@](C)(CCC1=C(C)C(=O)C[C@H]2C(C)(C)CCC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000238730912 IG Annotated Mild CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC[C@]1(C(C)C)CO1)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238731045 IG Annotated Anodyne CC(=O)OC[C@@H]1[C@@H](c2ccc(O)c(C)c2)O[C@H](c2ccc(O)c(O)c2)[C@H]1COC(C)=O ZINC000238731200 IG Annotated Clean COc1cc(OC)c(OC)cc1C[C@H]1CO[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1CO ZINC000238731260 IG Annotated Anodyne 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ZINC000257536319 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C1 ZINC000257536320 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@@H](O)C[C@@H](O)C1 ZINC000257536321 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@H](O)C[C@@H](O)C1 ZINC000257536322 IG Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]23OC(C)=O)ccc1O ZINC000257803304 IG Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O ZINC000257803305 IG Annotated Anodyne COc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)cc1 ZINC000026027874 IG Annotated Mild COc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccc(Cl)cc3)SC(=O)NC2=O)cc1 ZINC000026027881 IG Annotated Mild COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)O)C[C@@H]13)O2 ZINC000026144508 IG Annotated Anodyne COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)O)C[C@@H]13)O2 ZINC000026144515 IG Annotated Anodyne COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/CCCC(=O)O)C[C@@H]3C[C@H]1O)O2 ZINC000026144522 IG Annotated Anodyne COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/CCCC(=O)O)C[C@@H]3C[C@H]1O)O2 ZINC000026144529 IG Annotated Anodyne C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C(=O)O ZINC000026161334 IG Annotated Reactive CCN(CC)[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026168433 IG Annotated Reactive CCN(CC)[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026168437 IG Annotated Reactive COc1cccc2c(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12 ZINC000026186658 IG Annotated Anodyne CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC(C)=O)c(C(=O)O)c2)c1=O ZINC000026189883 IG Annotated Anodyne CCN(CC)CCn1c2cc(N3CCSCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026251842 IG Annotated Bother CC(=O)NC[C@H]1CN(c2ccc(/C=C(\F)S(=O)(=O)c3ccccc3)c(F)c2)C(=O)O1 ZINC000026257047 IG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4ccc5ccccc5c4c3)S[C@H]12 ZINC000026261043 IG Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COC(=O)c3ccc4c(ccc5ccccc54)c3)S[C@H]12 ZINC000026261050 IG Annotated Bother C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O ZINC000026376482 IG Annotated Reactive COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000026480199 IG Annotated Bother Cc1c2ccnc(C(=O)NCCCN3CCOCC3)c2cc2c3cc(O)ccc3n(C)c12 ZINC000026492733 IG Annotated Bother COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CC(F)(F)F)C2=O)OCO4 ZINC000026494656 IG Annotated Anodyne C/C=C(/C=O)CCN1C(=O)c2cc(OC)c(OC)cc2[C@H]2C(=O)c3cc4c(cc3[C@H]21)OCO4 ZINC000026495508 IG Annotated Reactive [C-]#[N+]c1ccc2c(c1)[C@]1(N=C(N)N(Cc3ncccn3)C1=O)[C@]1(CC[C@H](OC)[C@H](CC)C1)C2 ZINC000261075413 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(=O)N(C)C)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261077319 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C(=O)N(C)C)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261077320 IG Annotated Anodyne Cc1nn(C(=O)N(C)C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261078693 IG Annotated Anodyne Cc1nn(C(=O)N(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261079082 IG Annotated Anodyne CNC(=O)n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1 ZINC000261085329 IG Annotated Anodyne CNC(=O)n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1 ZINC000261085330 IG Annotated Anodyne O=C(c1ccccc1-n1cnnc1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 ZINC000261087071 IG Annotated Anodyne Cc1cc2nc(O)c3cnn([C@H]4CCOC4)c3c2cc1C(=O)N1CCC(OC2CC2)CC1 ZINC000261093113 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3ccc(C#N)cc3)c2)c2cncnc21 ZINC000261093733 IG Annotated Mild COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccn4ncnc4c3)c2cn1)c1ccc(F)cc1 ZINC000261108187 IG Annotated Anodyne COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000261109785 IG Annotated Anodyne Cc1ccc(C(=O)N2C[C@H]3C[C@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2ccnn2)n1 ZINC000261111414 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CNC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261114312 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CNC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 ZINC000261114313 IG Annotated Anodyne COCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 ZINC000261115813 IG Annotated Anodyne O[C@@H]1CC[C@@H](n2ccc(Nc3ncc4c(nnn4-c4ccc(Cl)c(F)c4)n3)n2)CC1 ZINC000261117889 IG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000261120562 IG Annotated Anodyne O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000261127331 IG Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1CC(F)(F)C1 ZINC000261136196 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261143354 IG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261143356 IG Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261148907 IG Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261148911 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 ZINC000261149394 IG Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261156241 IG Annotated Anodyne C[C@H](NC(=O)C1CC1)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261156244 IG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCN(C4CC4)C3)c2cn1)c1ccccc1 ZINC000261158714 IG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H]3CCN(C4CC4)C3)c2cn1)c1ccccc1 ZINC000261158716 IG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCC#N)ncc3Cl)C2)cc1 ZINC000261160562 IG Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCCC3(O)CCCC3)c2cn1)c1ccccc1 ZINC000261161606 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1F ZINC000261162194 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1F ZINC000261162195 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1F ZINC000261162197 IG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1F ZINC000261162199 IG Annotated Anodyne CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261162710 IG Annotated Anodyne CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261162713 IG Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(OC)nc3)c2cn1)c1ccc(F)cc1 ZINC000261162817 IG Annotated Anodyne Cc1nn(C2CN(C)C2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261165797 IG Annotated Anodyne Cc1nn(C2CN(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261165798 IG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CCC#N)C4CC4)n3)C2)cc1 ZINC000261167359 IG Annotated Mild CCN(CC)CCSc1ccc(C=c2nc(O)c(=Cc3ccccc3)nc2O)s1 ZINC000261170059 IG Annotated Anodyne COCCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261174343 IG Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F ZINC000261174365 IG Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F ZINC000261174366 IG Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000261174369 IG Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000261174372 IG Annotated Anodyne CNC(=O)n1nc2c(c1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261178014 IG Annotated Anodyne CNC(=O)n1nc2c(c1C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261178015 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 ZINC000261181395 IG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 ZINC000261181465 IG Annotated Anodyne CCOCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 ZINC000261183523 IG Annotated Anodyne CN(C(=O)N[C@@H]1CC[C@@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000261185431 IG Annotated Anodyne O[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)CC1 ZINC000261186156 IG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 ZINC000261186647 IG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)c(C)c2)C1 ZINC000261186648 IG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)c(C)c2)C1 ZINC000261186649 IG Annotated Anodyne CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3coc(C4CC4)n3)c2)c2cncnc21 ZINC000261187258 IG Annotated Anodyne COCCOC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1 ZINC000261187269 IG Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261187963 IG Annotated Anodyne COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 ZINC000261187965 IG Annotated Anodyne Cc1nn(C2CNC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261188706 IG Annotated Anodyne Cc1nn(C2CNC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O ZINC000261188707 IG Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nnn(C)c4c3)c2cn1)c1ccccc1 ZINC000261190160 IG Annotated Anodyne [C-]#[N+][C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(Nc2ccc(OC(F)F)nc2)c(C(N)=O)c1 ZINC000261190167 IG Annotated Reactive [C-]#[N+][C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(Nc2ccc(OC(F)F)nc2)c(C(N)=O)c1 ZINC000261190168 IG Annotated Reactive CCOC[C@H]1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 ZINC000261191109 IG Annotated Anodyne CCOC[C@@H]1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 ZINC000261191110 IG Annotated Anodyne CN1CCN(C(=O)c2ccc(N3C[C@@H]4ON=C(c5c(F)cccc5Cl)[C@H]4C3)cc2)CC1 ZINC000263590236 IG Annotated Anodyne CN1CCN(C(=O)c2ccc(N3C[C@H]4C(c5c(F)cccc5Cl)=NO[C@H]4C3)cc2)CC1 ZINC000263590237 IG Annotated Anodyne CCCCCCCCN1CCS(=O)(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)OC)C1 ZINC000263590427 IG Annotated Mild CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1CCc1ccccc1 ZINC000263591605 IG Annotated Anodyne CCOC(=O)c1ccc(N=C2S[C@@H](C(=O)NC)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000263591996 IG Annotated Mild CCOC(=O)c1ccc(N=C2S[C@H](C(=O)NC)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000263591997 IG Annotated Mild CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000263592154 IG Annotated Bother CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000263592155 IG Annotated Bother CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)c(C)cc2O)[nH]c(C)c1C(C)=O ZINC000263620308 IG Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)OCCO[N+](=O)[O-])cc2)c1 ZINC000263621071 IG Annotated Anodyne O=C(N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000263621130 IG Annotated Anodyne in-vitro O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000263621131 IG Annotated Anodyne in-vitro CCN(c1nc(NC2=CCC3=CNN(CCCO)C3=C2)ncc1F)c1cccc2[nH]ncc12 ZINC000263621190 IG Annotated Anodyne CN1CCCN=C1c1ccc(N2CCN(c3ccc(C4=NCCCN4C)cc3)CC2)cc1 ZINC000026650256 IG Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 ZINC000026652903 IG Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 ZINC000026652908 IG Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000026655325 IG Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000026655330 IG Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCOc1ccccc1 ZINC000026657922 IG Annotated Anodyne CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCOc1ccccc1 ZINC000026657928 IG Annotated Anodyne COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@@]15CC2)[C@@H]43 ZINC000026661770 IG Annotated Anodyne CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C#N)c1 ZINC000026664946 IG Annotated Mild CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(C#N)c1 ZINC000026664950 IG Annotated Mild CCCc1c(O)c2[nH]c(CCCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026665714 IG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(O)c1C2=O ZINC000026672798 IG Annotated Reactive Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000026716140 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000026716148 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 ZINC000026719957 IG Annotated Anodyne COC(=O)[C@@H]1C[C@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 ZINC000026719961 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000026726245 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000026726253 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000026731829 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000026731833 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000026731837 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000026731840 IG Annotated Anodyne Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000026736153 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000026736162 IG Annotated Anodyne COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 ZINC000026739292 IG Annotated Anodyne CN(CCc1ccccc1)C1CCN(C(=O)c2cc([N+](=O)[O-])c3[nH]c(=O)ccc3c2)CC1 ZINC000026818835 IG Annotated Bother C[n+]1c(COc2ccc(/C=N/NC(=N)N3CCCC3)cc2)cn2cc(C(F)(F)F)ccc21 ZINC000026821375 IG Annotated Mild O=C(NO)[C@@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026822238 IG Annotated Bother O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1 ZINC000026822243 IG Annotated Bother CN(CCc1ccccc1)C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)NC(=O)CC3)CC1 ZINC000026830041 IG Annotated Bother O=[N+]([O-])c1cccc([C@H]2C[C@@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C3CC3)[C@@H](O6)[C@H]2O)c1 ZINC000026833545 IG Annotated Bother O=[N+]([O-])c1cccc([C@H]2C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C3CC3)[C@@H](O6)[C@H]2O)c1 ZINC000026833549 IG Annotated Bother CN(C(=O)OC(C)(C)C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O ZINC000026841451 IG Annotated Anodyne CN(C(=O)OC(C)(C)C)C1=C(O)[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O ZINC000026841454 IG Annotated Anodyne CS(=O)(=O)N(C[C@@H](O)CO)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026852163 IG Annotated Clean CS(=O)(=O)N(C[C@H](O)CO)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 ZINC000026852169 IG Annotated Clean N[C@@]12C=CC=C[C@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c1Cl)C2 ZINC000026936074 IG Annotated Anodyne N[C@@]12C=CC=C[C@@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c1Cl)C2 ZINC000026936080 IG Annotated Anodyne CCSCC[C@@H](N)[C@H](O)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000026937419 IG Annotated Anodyne COc1ccc(C(=O)CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 ZINC000026947195 IG Annotated Anodyne CN(C)c1ccnc2c1C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O ZINC000026977261 IG Annotated Clean CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN1CCCCC1 ZINC000026987543 IG Annotated Bother O=C(CCc1cc[n+]([O-])cc1)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026991239 IG Annotated Reactive O=C(CCc1cccc[n+]1[O-])NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000026991245 IG Annotated Reactive O=C1c2nccc(-c3ccccc3NC(=O)C(F)(F)F)c2C(=O)c2c([N+](=O)[O-])ccnc21 ZINC000026991729 IG Annotated Clean CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(N)cc1c3[nH]n2CCN1CCCCC1 ZINC000026992472 IG Annotated Bother Cc1c(C)c2c(c(C)c1OC(=O)[C@H](N)C(C)C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994335 IG Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)C(C)C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994340 IG Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)[C@H](N)C(C)C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994346 IG Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)C(C)C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026994352 IG Annotated Anodyne COc1cc2c(=O)n(CCCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000027076836 IG Annotated Bother CCN(CC)CCn1[nH]c2c3cc(S(C)(=O)=O)ccc3nc3c([N+](=O)[O-])ccc1c32 ZINC000027093445 IG Annotated Bother O=C1C(Br)=C(Nc2cccc(I)c2)C(=O)c2[nH]cnc21 ZINC000027109060 IG Annotated Mild CCN(CC)C(=O)CNc1nc2cc3nc(NCC(=O)N(CC)CC)sc3cc2s1 ZINC000027181880 IG Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)Cc1cc(OCCCN)ccc1-3 ZINC000027187696 IG Annotated Anodyne CNC(=S)SSC(=S)NCCCNC(=S)SSC(=S)OC ZINC000027190197 IG Annotated Reactive N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccccn2)CC2CC2)c1 ZINC000027198749 IG Annotated Anodyne C[C@@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027200185 IG Annotated Anodyne C[C@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027200189 IG Annotated Anodyne N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccncc2)CC2CC2)c1 ZINC000027205501 IG Annotated Anodyne N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2cccnc2)CC2CC2)c1 ZINC000027205505 IG Annotated Anodyne CC[C@]12CCCN3C[C@H](OC(C)=O)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027206368 IG Annotated Anodyne CC[C@]12CCCN3C[C@H](OC(C)=O)[C@]4(C(=Nc5ccccc54)[C@](Cl)(C(=O)OC)C1)[C@@H]32 ZINC000027206636 IG Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(=O)O)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209433 IG Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(C(=O)O)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027209437 IG Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c1cc(/C=N/NC(=O)NCCc3ccccc3)ccc1n2O ZINC000027300268 IG Annotated Anodyne COC1(c2cc(S(=O)(=O)c3ccc4c(ccc(=O)n4C)c3)ccc2C)CCOCC1 ZINC000027310592 IG Annotated Anodyne Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000027316270 IG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4conc4Cl)CC3)c(F)c2)C(=O)O1 ZINC000027407334 IG Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CC=C(c4oncc4Cl)CC3)c(F)c2)C(=O)O1 ZINC000027408552 IG Annotated Anodyne Cc1c(N2CC[C@H](NCC(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000027408622 IG Annotated Anodyne CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)C1 ZINC000027415987 IG Annotated Anodyne Cc1c(N2CC[C@@](CN)(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000027422538 IG Annotated Anodyne Cc1c(N2CC[C@](CN)(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000027422543 IG Annotated Anodyne C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl ZINC000027423705 IG Annotated Anodyne C(=NNC1=NCCS1)c1ccc(-c2cn3cc(C=NNC4=NCCS4)ccc3n2)cc1 ZINC000027432945 IG Annotated Anodyne C(=N/NC1=NCCS1)\c1ccc(-c2cn3cc(/C=N/NC4=NCCS4)ccc3n2)cc1 ZINC000027432959 IG Annotated Mild O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2C1=NNc1ccc2ccccc2c1O ZINC000271775076 IG Annotated Mild CN1N=C(O[C@@H]2c3cc(C(F)(F)C(F)(F)F)ccc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027517996 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000027518963 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000027518964 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@@]21C ZINC000027518965 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000027518966 IG Annotated Anodyne O=[N+]([O-])c1ccc(NN=C(c2ccc(O)cc2O)c2ccc(O)cc2O)c([N+](=O)[O-])c1 ZINC000027520975 IG Annotated Mild Cc1cc(CN2[C@@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)ccc1Br ZINC000027524135 IG Annotated Anodyne Cc1cc(CN2[C@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)ccc1Br ZINC000027524136 IG Annotated Anodyne CN(C)CCNC(=O)c1cccc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc12 ZINC000027524641 IG Annotated Clean COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@H]1C=C2 ZINC000027524644 IG Annotated Anodyne COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@@H]1C=C2 ZINC000027524645 IG Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](c3ccccc3)S2)CC1 ZINC000027524661 IG Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](c3ccccc3)S2)CC1 ZINC000027524662 IG Annotated Anodyne COc1c(N2CC[C@@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c12 ZINC000027524804 IG Annotated Anodyne COc1c(N2CC[C@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c12 ZINC000027524805 IG Annotated Anodyne O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@H](c1ccccc1F)S2 ZINC000027524851 IG Annotated Anodyne O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@@H](c1ccccc1F)S2 ZINC000027524852 IG Annotated Anodyne COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 ZINC000027527259 IG Annotated Anodyne COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 ZINC000027548948 IG Annotated Anodyne Oc1ccc(N(CCI)CCI)c(F)c1 ZINC000027556278 IG Annotated Reactive CN1CCN(/N=C/c2c3ccccc3c(/C=N/N3CCN(C)CC3)c3ccccc23)CC1 ZINC000027559562 IG Annotated Mild CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)N(C)S1(=O)=O ZINC000027626416 IG Annotated Anodyne CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000027626422 IG Annotated Anodyne COc1cc2nc(N(C)CCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC ZINC000027628138 IG Annotated Anodyne COC(=O)CCC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 ZINC000027628155 IG Annotated Reactive CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000027631644 IG Annotated Anodyne CS(=O)(=O)c1ccc(CCNCCCCCCN[C@@H]2CCc3ncccc3C2)cc1 ZINC000027634364 IG Annotated Anodyne CS(=O)(=O)c1ccc(CCNCCCCCCN[C@H]2CCc3ncccc3C2)cc1 ZINC000027634370 IG Annotated Anodyne CN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000027649955 IG Annotated Anodyne CC(=O)N1CCC2(CC1)NCc1cc(C(C)(C)C)cc(I)c1O2 ZINC000027653418 IG Annotated Anodyne CCOC(=O)[C@@H]1Cc2cc(Cc3cc(CN)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000027653833 IG Annotated Clean CCOC(=O)[C@H]1Cc2cc(Cc3cc(CN)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000027653837 IG Annotated Clean CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@H](OC)C(OC)=C12 ZINC000027711415 IG Annotated Anodyne CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@@H](OC)C(OC)=C12 ZINC000027711421 IG Annotated Anodyne CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@@H](OC)[C@H](OC)C(OC)=C12 ZINC000027711425 IG Annotated Anodyne CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@@H](OC)[C@@H](OC)C(OC)=C12 ZINC000027711430 IG Annotated Anodyne O=c1c2c(=O)n(-c3ccc(F)cc3)c(=S)n3c2n(c(=S)n1-c1ccc(F)cc1)CC3 ZINC000027725160 IG Annotated Anodyne O=C1N[C@@H](Cc2ccc3[nH]cc(CCN4CC[C@@H](CNCc5ccccc5)C4)c3c2)CO1 ZINC000027761021 IG Annotated Anodyne CCNC(=O)Oc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027850081 IG Annotated Clean Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)F)c21 ZINC000027855613 IG Annotated Anodyne CCOC(=O)COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027858346 IG Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@@H](CN(C)C)N(C)C)c3nc12 ZINC000027858517 IG Annotated Clean COc1cccc2c1ccc1nc3cccc(C(=O)NC[C@H](CN(C)C)N(C)C)c3nc12 ZINC000027858523 IG Annotated Clean CCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000027859099 IG Annotated Clean C=CCO[C@@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000027898342 IG Annotated Mild C=CCO[C@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000027898348 IG Annotated Mild CCOC(=O)C1=C[C@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 ZINC000027901363 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2c([N+](=O)[O-])cnc2C)CC1 ZINC000027978455 IG Annotated Bother CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(=O)CCCl)cc1 ZINC000027984086 IG Annotated Reactive CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cnc3ccccc32)CC1 ZINC000027984581 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000027988002 IG Annotated Anodyne CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 ZINC000027994976 IG Annotated Anodyne CN1CCC[C@@H](C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000028005385 IG Annotated Anodyne CN1CCC[C@H](C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000028005389 IG Annotated Anodyne CCC/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028013264 IG Annotated Anodyne CC(C)/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028016813 IG Annotated Anodyne COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)CCc1cc(OCCN)ccc1-3 ZINC000028020210 IG Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(N(C)C)cc1)C3=CC2=O ZINC000028100638 IG Annotated Mild CCCCNC(=O)Oc1ccc(C2=Nc3c(cc(NC(=O)OCC)nc3N)N[C@@H]2C)cc1 ZINC000028104112 IG Annotated Anodyne CCOC(=O)C(=O)c1cc2ccccc2n1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000028116192 IG Annotated Bother CC(C)OC[C@@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 ZINC000028119776 IG Annotated Anodyne CC(C)OC[C@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 ZINC000028119781 IG Annotated Anodyne COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O ZINC000028120482 IG Annotated Anodyne COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000028120490 IG Annotated Anodyne in-vivo CN(C[C@@](C)(CCN1CC[C@@H]2NCC[C@@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028133081 IG Annotated Anodyne COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3COC(C)=O)cc(OC)c1OC ZINC000028218094 IG Annotated Anodyne C[C@@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224251 IG Annotated Anodyne C[C@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224254 IG Annotated Anodyne C[C@@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl ZINC000028224258 IG Annotated Anodyne O=[N+]([O-])c1ccc(N(CCI)CCI)cc1 ZINC000028226230 IG Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccncc1 ZINC000028228245 IG Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccccn1 ZINC000028230994 IG Annotated Reactive O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@@H]2CCCN2)CC1 ZINC000028254433 IG Annotated Anodyne O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@H]2CCCN2)CC1 ZINC000028254439 IG Annotated Anodyne CCOc1nc2c(n1Cc1ccc(O)c(Cl)c1)C(=O)N(CC)C1=N[C@@H]3CCC[C@@H]3N12 ZINC000028265307 IG Annotated Anodyne CC1(C)O[C@@H]2C=CC=CC2=C1OCCN1CCC(Oc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000028338503 IG Annotated Anodyne CC1(C)O[C@H]2C=CC=CC2=C1OCCN1CCC(Oc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000028338512 IG Annotated Anodyne O=C(/C=C/c1cccnc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028339858 IG Annotated Anodyne O=C(/C=C/c1cccnc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl ZINC000028339865 IG Annotated Anodyne COc1cccc(-n2c(SCC(=O)NN)nc3scc(-c4ccccc4)c3c2=O)c1 ZINC000028340466 IG Annotated Reactive Nc1ccc(/C=C/C(=O)N[C@@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341376 IG Annotated Anodyne Nc1ccc(/C=C/C(=O)N[C@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341383 IG Annotated Anodyne NNC(=O)CSc1nc2scc(-c3ccccc3F)c2c(=O)n1-c1cccc(F)c1 ZINC000028341928 IG Annotated Reactive NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccc(F)c1 ZINC000028345781 IG Annotated Reactive NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccc(F)cc1 ZINC000028345787 IG Annotated Reactive NNC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1 ZINC000028349737 IG Annotated Reactive NNC(=O)CSc1nc2scc(-c3cccc(F)c3)c2c(=O)n1-c1cccc(F)c1 ZINC000028349743 IG Annotated Reactive O=C(OCCBr)N(C(=O)OCCBr)c1onc2c1CCC2 ZINC000028354090 IG Annotated Reactive NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1F ZINC000028355222 IG Annotated Reactive CN(C)CCO[C@@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000028356982 IG Annotated Anodyne CN(C)CCO[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 ZINC000028356989 IG Annotated Anodyne CN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000028361005 IG Annotated Anodyne CON(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 ZINC000028365291 IG Annotated Anodyne NN(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4Cl)CC3)cc2)C(=O)O1 ZINC000028368415 IG Annotated Anodyne CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)N(C)C)OC3=O)cc2F)cc1 ZINC000028370573 IG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O ZINC000028370782 IG Annotated Anodyne C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@@]12O[C@@H]1[C@@](C)(O)NC2=O)C(=O)OC(C)(C)C ZINC000028371169 IG Annotated Mild COC(=S)NC[C@H]1CN(c2ccc(Oc3ccc(NC(C)=O)cc3)c(F)c2)C(=O)O1 ZINC000028375334 IG Annotated Anodyne CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2F)cc1 ZINC000028378746 IG Annotated Anodyne C/C(=N\NC(N)=O)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1C ZINC000028391280 IG Annotated Reactive COc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCCN(C)C)c2cc1OC)OCO5 ZINC000028393073 IG Annotated Bother N[C@@H]1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]21 ZINC000028457244 IG Annotated Anodyne CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N32)cc1 ZINC000028460009 IG Annotated Bother CN1CC[C@@H](N(C)C(=O)N2CC[C@H](N(C)C(=O)c3ccc(-c4ccc(F)cc4)s3)C2)C1 ZINC000028462113 IG Annotated Anodyne C=CCN(CCC(=O)O)C(=O)c1cccc(COc2cc(O)c(C(C)=O)cc2CC)n1 ZINC000028469220 IG Annotated Mild CCn1nnc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 ZINC000028474894 IG Annotated Anodyne CCn1nnc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 ZINC000028474897 IG Annotated Anodyne COc1cc2c(=O)n(CCNC(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028522259 IG Annotated Bother NC(=O)COc1ccc(Cl)cc1-c1c(CCO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028522510 IG Annotated Anodyne Cc1ccc(C(=O)CN2C(=O)c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3C2=O)cc1C ZINC000028523090 IG Annotated Anodyne Cc1ccc2occ(/C=N/c3nccc(Nc4ccc(S(N)(=O)=O)cc4)n3)c(=O)c2c1 ZINC000028523203 IG Annotated Mild NC(=O)Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21 ZINC000028523692 IG Annotated Anodyne C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000028524525 IG Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C ZINC000028524526 IG Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccc(F)cc3)CC2)c1O ZINC000028525234 IG Annotated Reactive C=CCCO/C(O)=N/C(=N/C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028527249 IG Annotated Mild C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1O ZINC000028527962 IG Annotated Reactive CC(C)/N=C(/NC(=O)OC(C)(C)C)NC1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000028528342 IG Annotated Mild CC(C)CO/C(O)=N/C(=N/C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028528967 IG Annotated Mild COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C(C)C)C(C)C)C1)N2 ZINC000028529881 IG Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)N(C(C)C)C(C)C)C1)N2 ZINC000028529883 IG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O ZINC000028539689 IG Annotated Mild CCOc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000028563380 IG Annotated Bother CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCCC2)sc2c1CCC(C)(C)C2 ZINC000028565400 IG Annotated Mild Cc1ccc(CNc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 ZINC000028565438 IG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NCc2cccs2)nc1 ZINC000028565460 IG Annotated Mild CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)N2CCCCC2)sc2c1CCC(C)(C)C2 ZINC000028565543 IG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000028565773 IG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2N[C@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000028565775 IG Annotated Mild C[C@@H]1C[C@@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028566090 IG Annotated Mild C[C@H]1C[C@@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028566092 IG Annotated Mild C[C@H]1C[C@H](C)CN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028566095 IG Annotated Mild COc1ccc([C@@H](CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1 ZINC000028568683 IG Annotated Anodyne COc1ccc([C@H](CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1 ZINC000028568684 IG Annotated Anodyne O=c1n(Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1S(=O)(=O)O ZINC000028569623 IG Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(CCCc3nnn[nH]3)c3ccccc32)nc2ccccc21 ZINC000028569862 IG Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OC[C@H]2CC=CCC2)nc1 ZINC000028570155 IG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OC[C@@H]2CC=CCC2)nc1 ZINC000028570156 IG Annotated Mild CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)NCCO)cc21 ZINC000028570459 IG Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCCNC(=O)c1ccncc1)CC2 ZINC000028570980 IG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCCNC(=O)c1ccncc1)CC2 ZINC000028570981 IG Annotated Anodyne CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@@]1(C)c1cccc2ccccc12 ZINC000028571982 IG Annotated Anodyne CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@]1(C)c1cccc2ccccc12 ZINC000028571983 IG Annotated Anodyne Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(-n2cnc3ccccc32)n1 ZINC000028604179 IG Annotated Anodyne Cc1ccc(C(=O)O)cc1Nc1nc(N(C)CC(C)(C)C)nc(N2CCCN(C)CC2)n1 ZINC000028637331 IG Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2N(C)S3(=O)=O)cc1 ZINC000028638704 IG Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2S(=O)(=O)N3C)cc1 ZINC000028638839 IG Annotated Anodyne COc1cc(CN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc(OC)c1OC ZINC000028639004 IG Annotated Anodyne COc1cc(N(C)CCCNC(=O)N[C@H](CS)C(=O)O)c2nc(C(C)(C)C)ccc2c1 ZINC000028639708 IG Annotated Mild COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@@H](O)N1[C@H]2C)N3C ZINC000028641424 IG Annotated Anodyne COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@H](O)N1[C@H]2C)N3C ZINC000028641425 IG Annotated Anodyne O=c1n(Cc2nnc(SCc3ccccc3F)s2)nnn1-c1ccc(Cl)cc1 ZINC000028647668 IG Annotated Anodyne O=c1n(Cc2nnc(SCc3cccc(F)c3)s2)nnn1-c1ccc(Cl)cc1 ZINC000028647671 IG Annotated Anodyne COC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000028647751 IG Annotated Clean COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)nc3)s2)cc(OC)c1OC ZINC000028648967 IG Annotated Anodyne COc1cccc(CS(=O)(=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000028648986 IG Annotated Anodyne O=C1/C(=N\NC(=S)Nc2ccc(F)cc2)c2cc(F)ccc2N1CN1CCCCC1 ZINC000028651528 IG Annotated Mild O=C1/C(=N\NC(=S)Nc2ccccc2)c2cc([N+](=O)[O-])ccc2N1CN1CCCCC1 ZINC000028651557 IG Annotated Mild C[C@@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O ZINC000028651659 IG Annotated Mild C[C@H]1S/C(=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)N(c2ccc(Cl)cc2)C1=O ZINC000028651663 IG Annotated Mild O=C1N=C(O)N(Cc2ccccc2F)C12CCN(Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000028704461 IG Annotated Anodyne CCOC(=O)c1cn(Cc2ccc(Br)cc2)c2c(ccc3c2nnn3C)c1=O ZINC000028704633 IG Annotated Anodyne CS(=O)(=O)N1CCN(C(=O)CCCc2cn(Cc3ccccc3)c3ccccc23)CC1 ZINC000028704791 IG Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C ZINC000028705865 IG Annotated Bother CCN(CC)CC(=O)N[C@H]1Cc2c(cc(OC)c3c(=O)c4ccccc4oc23)OC1(C)C ZINC000028705868 IG Annotated Bother CCSc1ccc(OCc2nnc3n2N=C(NC(=O)c2ccccc2O)CS3)cc1 ZINC000028709031 IG Annotated Anodyne COc1ccc(CC(=O)Nc2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1 ZINC000028712237 IG Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(NCc4ccc5c(c4)OCCO5)cc(c23)C1=O ZINC000028712277 IG Annotated Anodyne COc1ccc2oc(=O)sc2c1C(=O)/C=C/c1ccc(OCCN2CCOCC2)cc1 ZINC000028712336 IG Annotated Mild COc1c2occc2c(OC)c2c(=O)c(CN3CCN(C)CC3)c(-c3cccnc3)oc12 ZINC000028712693 IG Annotated Anodyne COc1ccc(OC)c(-c2nnc3n2ccc2nnc(-c4cc(OC)ccc4OC)n23)c1 ZINC000028712773 IG Annotated Anodyne CCN1C(=O)c2c(ncn2Cc2ccc(OC)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000028756760 IG Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccccc1-2 ZINC000028759644 IG Annotated Clean CO[C@]1(c2cnc(S(=O)(=O)c3ccc(/C(C)=N/OCC#N)cc3)s2)CCO[C@@H](C)C1 ZINC000028760813 IG Annotated Mild Cc1nnc(CNC(=O)[C@H](N)CC(C)C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028765756 IG Annotated Anodyne Cc1nnc(CNC(=O)[C@@H](N)CC(C)C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000028765758 IG Annotated Anodyne CC(=O)NCCCCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000028769793 IG Annotated Clean Nn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000028814871 IG Annotated Anodyne COCC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815946 IG Annotated Mild COCC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815948 IG Annotated Mild OCCNCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 ZINC000028817117 IG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@H](NCc3ccc5c(c3)OCCO5)C4)c2n1 ZINC000028817427 IG Annotated Anodyne COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)OCCO5)C4)c2n1 ZINC000028817428 IG Annotated Anodyne C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCC2=CC(C(N)=O)=CC[C@H]21 ZINC000028821529 IG Annotated Mild CC(C)S(=O)(=O)n1c(=O)n(Cc2nc3ccccc3n2CCCC#N)c2ccccc21 ZINC000028821624 IG Annotated Mild CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3cnc4ccncc43)nc2n1C ZINC000028822403 IG Annotated Anodyne O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1 ZINC000028822878 IG Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C3CC3)c(=O)c3ccccc32)nc2cc(CN)ccc21 ZINC000028824460 IG Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(C3CC3)c(=O)c3ccccc32)nc2cc(CO)ccc21 ZINC000028824465 IG Annotated Anodyne NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCCCF ZINC000028824467 IG Annotated Anodyne O=C1c2c(O)c3n(c2CCN1Cc1ccc(F)cc1)CCN(Cc1ccc(F)cc1)C3=O ZINC000028826626 IG Annotated Anodyne CCC(CC)C(=O)N/C(=N/C1=NC(=O)C(=O)N1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028866575 IG Annotated Mild CC(C)N1C(=O)C(=O)N=C1/N=C(/NC(=O)C(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000028866581 IG Annotated Mild CCC(CC)C(=O)N/C(=N\C1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1)NC(C)C ZINC000028866584 IG Annotated Mild CCCN(C(=O)CCCCCN)C1=C(C)C[C@@H](c2ccccc2)N(CCC(=O)O)C1=O ZINC000028869398 IG Annotated Anodyne CCCN(C(=O)CCCCCN)C1=C(C)C[C@H](c2ccccc2)N(CCC(=O)O)C1=O ZINC000028869401 IG Annotated Anodyne O=C(O)COCCCCS(=O)(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028871603 IG Annotated Anodyne C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)O ZINC000028878912 IG Annotated Anodyne CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@H]2CC3C[C@@H]1CC(c1nnn[nH]1)(C3)C2 ZINC000028882234 IG Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)NCCOCCNC(C)=O)cc2)c1Cl ZINC000028887818 IG Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)NCCOCCNC(C)=O)cc2)c1Cl ZINC000028887824 IG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc(-c4csnn4)cc3)S2)cc1 ZINC000028888766 IG Annotated Mild O=C([C@H](O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 ZINC000028891704 IG Annotated Anodyne O=C([C@@H](O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 ZINC000028891709 IG Annotated Anodyne N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(Br)cc1 ZINC000028891743 IG Annotated Anodyne N[C@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(Br)cc1 ZINC000028891749 IG Annotated Anodyne COc1cccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)c1OC ZINC000028893262 IG Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)cc1OC ZINC000028893274 IG Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCc2ccccc2)=CC4=NCC3)cc1 ZINC000028895508 IG Annotated Mild Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCCc2ccccc2)=CC4=NCC3)cc1 ZINC000028895567 IG Annotated Mild CC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 ZINC000028897070 IG Annotated Anodyne Cc1cc(N2C[C@@H](C)N[C@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 ZINC000028948489 IG Annotated Anodyne Cc1cc(N2C[C@H](C)N[C@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 ZINC000028948491 IG Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c(-c4cc(C)on4)n[nH]c2-3)C(=O)O1 ZINC000028949268 IG Annotated Anodyne CCOC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 ZINC000028949345 IG Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)C1CC1 ZINC000028949353 IG Annotated Anodyne O=[N+]([O-])c1ccc(/C=N\NC2=NS(=O)(=O)c3ccccc3N2c2ccccc2)s1 ZINC000028951277 IG Annotated Mild C=CCNC(=O)[C@H](N(Cc1ccncc1)C(=O)c1cccnc1)C(Cl)(Cl)Cl ZINC000028953144 IG Annotated Mild C=CCNC(=O)[C@@H](N(Cc1ccncc1)C(=O)c1cccnc1)C(Cl)(Cl)Cl ZINC000028953146 IG Annotated Mild CS(=O)(=O)N(Cc1cccc(F)c1)c1c(Cl)c(Cl)cc2[nH]c(=O)c(O)nc12 ZINC000028954095 IG Annotated Anodyne CCS(=O)(=O)N(CCC(F)(F)F)c1c(Cl)c(Cl)cc2[nH]c(=O)c(O)nc12 ZINC000028954151 IG Annotated Anodyne CC(C)NC(=O)N1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 ZINC000028961950 IG Annotated Bother CC(C)NC(=O)N1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 ZINC000028961955 IG Annotated Bother CCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966529 IG Annotated Anodyne CCC(=O)O[C@]12CCC(C(=O)OC)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966635 IG Annotated Anodyne O=C(CS(=O)(=O)N1CC=C(c2ccc(-c3ccccc3)c(C(F)(F)F)c2)CC1)NO ZINC000028970111 IG Annotated Bother Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(F)c2F)O1 ZINC000028974491 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(F)c2F)O1 ZINC000028974496 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cccc(F)c2F)O1 ZINC000028974500 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(F)c2F)O1 ZINC000028974504 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2ccc(F)cc2F)O1 ZINC000028974512 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccc(F)cc2F)O1 ZINC000028974519 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2ccc(F)cc2F)O1 ZINC000028974525 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccc(F)cc2F)O1 ZINC000028974531 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)ccc2F)O1 ZINC000028974536 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cc(F)ccc2F)O1 ZINC000028974542 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 ZINC000028974548 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 ZINC000028974553 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2c(F)cccc2F)O1 ZINC000028974559 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2c(F)cccc2F)O1 ZINC000028974563 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2c(F)cccc2F)O1 ZINC000028974569 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2c(F)cccc2F)O1 ZINC000028974574 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000028974580 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cc(F)cc(F)c2)O1 ZINC000028974588 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 ZINC000028974594 IG Annotated Anodyne Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 ZINC000028974600 IG Annotated Anodyne CNC(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976046 IG Annotated Anodyne COc1cc(/C=N/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)cc(OC)c1OC ZINC000029038268 IG Annotated Mild COc1cc(/C=N/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccccc2)cc(OC)c1OC ZINC000029038269 IG Annotated Mild CC1=C(Br)[C@@](Br)(C(Br)Br)OC1=O ZINC000029038921 IG Annotated Reactive CC1=C(Br)[C@](Br)(C(Br)Br)OC1=O ZINC000029038923 IG Annotated Reactive COC(=O)CCN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)OC)c3)o2)C1=O ZINC000029044124 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCc2ccsc2)nn1 ZINC000029044334 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCc2ccsc2)nn1 ZINC000029044337 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCCCCCCO)nn1 ZINC000029044340 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCCCCCCO)nn1 ZINC000029044343 IG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)C)C1 ZINC000029044610 IG Annotated Anodyne COC(=O)CCC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 ZINC000029044619 IG Annotated Anodyne COc1cc2c(=O)n(CCn3ccnc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000029045005 IG Annotated Bother O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 ZINC000029050429 IG Annotated Anodyne Cc1cc(-n2cc(NC(N)=O)c(C(N)=O)n2)ccc1-c1cc(C)c(O)c(Br)c1 ZINC000029056713 IG Annotated Anodyne O=C(CN1CCCC1)Nc1cc2nc(CN3CCCC3)[nH]c2c2c(=O)c3ccccc3oc12 ZINC000029056721 IG Annotated Bother CC/N=c1/cc2oc3cc(NCCC(=O)NCC(=O)OC)c4ccccc4c3nc-2cc1C ZINC000029059358 IG Annotated Bother CCOC(=O)c1nn2c(O)nc3cc(Cl)c(-n4cccc4)cc3c2c1C(=O)OCC ZINC000029060689 IG Annotated Anodyne CCOC(=O)N1CCN(Cc2c(OC(=O)c3ccccc3)ccc3ccc(=O)oc23)CC1 ZINC000029062644 IG Annotated Anodyne N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2cccc(Nc3ccc(=O)[nH]n3)c2)[nH]c1=O ZINC000029063817 IG Annotated Mild COC(=O)c1cc2c(cc1C(=O)OC)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029123278 IG Annotated Anodyne COc1cc(-c2nnc([S@@](=O)Cc3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC ZINC000029123328 IG Annotated Bother COc1cc(-c2nnc([S@](=O)Cc3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC ZINC000029123329 IG Annotated Bother NCc1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccc(O)cc4)o3)CC1)CO2 ZINC000029126377 IG Annotated Mild NC(=O)c1ccc2c(c1)C1(CCN(C(=O)c3ccc(C#Cc4ccccc4)o3)CC1)CO2 ZINC000029126500 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2cc(F)c(F)c(F)c2)cc1OC ZINC000029126520 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2cc(F)c(F)c(F)c2)cc1OC ZINC000029126521 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](COc2ccc(Cl)cc2)OCC#C)cc1OC ZINC000029126596 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](COc2ccc(Cl)cc2)OCC#C)cc1OC ZINC000029126597 IG Annotated Mild Cc1ccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)cc1 ZINC000029126936 IG Annotated Anodyne Cc1cccc(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C)csc34)CC2)c1 ZINC000029126985 IG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 ZINC000029126987 IG Annotated Anodyne Cc1ccn(CC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)n1 ZINC000029128977 IG Annotated Mild Cc1ccn(CC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)n1 ZINC000029128978 IG Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cn2nccc2C)[C@@H](c2ccccc2)C1 ZINC000029128979 IG Annotated Mild Cc1ccccc1N/C(=N\C#N)N1CCN(C(=O)Cn2nccc2C)[C@H](c2ccccc2)C1 ZINC000029128980 IG Annotated Mild CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000029130275 IG Annotated Anodyne in-vivo COc1ccc(-c2cn(C(C)=O)c(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029131460 IG Annotated Anodyne Cc1cc(=O)oc2c(I)c(O)c(I)cc12 ZINC000029132393 IG Annotated Anodyne Brc1cccc(Nc2ncnc3ccncc23)c1NCCN1CCOCC1 ZINC000029132872 IG Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C[C@H](N)C(C)C)CC3)nc3c(C)ccnc32)n1 ZINC000029134081 IG Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(C[C@@H](N)C(C)C)CC3)nc3c(C)ccnc32)n1 ZINC000029134083 IG Annotated Anodyne CC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)nn(CC[n+]2ccccc2)c1=O ZINC000029205244 IG Annotated Anodyne CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(C(C)=O)c1=O ZINC000029207179 IG Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN[C@H](C)CO2)[C@]13C(=O)O ZINC000029214474 IG Annotated Mild O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cc(I)ccc1O ZINC000029243264 IG Annotated Anodyne O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(I)ccc1O ZINC000029243270 IG Annotated Anodyne COc1cc2c(cc1OC)-c1cc(Nc3cc(OC)c(OC)c(OC)c3)nc(=O)n1CC2 ZINC000029246824 IG Annotated Anodyne NCC(=O)NCc1nnc(C2CC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000029250635 IG Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318483 IG Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318488 IG Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000029318729 IG Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000029318734 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 ZINC000029322324 IG Annotated Anodyne CCN(CC)CCn1nc2c3cc(O)ccc3sc3c(NCCNCCO)ccc1c32 ZINC000029324437 IG Annotated Bother C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 ZINC000029325661 IG Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(OC)c1C2=O ZINC000029342768 IG Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4c3C(=O)C=C(N3CC3)C4=O)cccc12 ZINC000029347561 IG Annotated Mild Cc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2 ZINC000029390941 IG Annotated Anodyne Cc1nn(C)c(NC(=O)CN(C)CCCN2CCCC[C@H]2C)c1C(=O)c1ccccc1F ZINC000029392780 IG Annotated Anodyne Cc1nn(C)c(NC(=O)CN(C)CCCN2CCCC[C@@H]2C)c1C(=O)c1ccccc1F ZINC000029392784 IG Annotated Anodyne O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1cc(Cl)sc1Cl ZINC000029394071 IG Annotated Mild CCCCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000029402787 IG Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)[n+](C)c2)n2c1CCC2 ZINC000029402911 IG Annotated Anodyne CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1 ZINC000029405330 IG Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccn(C)c(=O)c2)n2c1CCC2 ZINC000029408976 IG Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](C)c(F)c2)n2c1CCC2 ZINC000029408979 IG Annotated Anodyne CNc1ccc(N(CCI)CCI)cc1 ZINC000029412132 IG Annotated Reactive CCN(CC)c1nc(NC[C@@H](O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12 ZINC000029415605 IG Annotated Anodyne CCN(CC)c1nc(NC[C@H](O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12 ZINC000029415608 IG Annotated Anodyne COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)c(OC)c4)CC3)OC2=O)cc1 ZINC000029416072 IG Annotated Anodyne CCOc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1 ZINC000029417289 IG Annotated Anodyne CC[C@@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@@H](CC)CO ZINC000029472999 IG Annotated Reactive CC[C@@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](CC)CO ZINC000029473004 IG Annotated Reactive CC[C@H](CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](CC)CO ZINC000029473012 IG Annotated Reactive CC(C)(CO)NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(C)(C)CO ZINC000029479304 IG Annotated Reactive NC(=O)N1C(=O)/C(=C(/OC(=O)/C=C/C(=O)O)c2cccs2)c2cc(F)c(Cl)cc21 ZINC000029483117 IG Annotated Anodyne NCCCC[C@H](C(N)=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 ZINC000029563576 IG Annotated Bother NCCCC[C@@H](C(N)=O)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(-c2ccccc2)on1 ZINC000029563580 IG Annotated Bother O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cccc2ccccc12 ZINC000029564393 IG Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1cccc2ccccc12 ZINC000029564397 IG Annotated Reactive Cc1c(N2CC[C@H]([C@@H](N)C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000029565230 IG Annotated Anodyne Cc1c(N2CC[C@@H]([C@@H](N)C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000029565234 IG Annotated Anodyne O=C(O)C[C@@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 ZINC000029565352 IG Annotated Reactive O=C(O)C[C@H](CC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1 ZINC000029565355 IG Annotated Reactive COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)O)C[C@H]31)O2 ZINC000299804714 IG Annotated Anodyne CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1ccccc1 ZINC000299806609 IG Annotated Anodyne CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1ccccc1 ZINC000299806610 IG Annotated Anodyne CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1)c1ccccc1 ZINC000299806611 IG Annotated Anodyne CC(C)(C)c1ocnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3)c2)nc1O ZINC000299811644 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(N)c1N=Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000299813164 IG Annotated Clean Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C#N)c2)C1(C)C ZINC000299815831 IG Annotated Mild CCOC(=O)N1C=N[C@]23[C@H](c4ccccc4)[C@H](c4ccccc4)[C@]12C(=O)N(C)C(=O)N3C ZINC000299816884 IG Annotated Anodyne CCOC(=O)N1C=N[C@]23[C@H](c4ccccc4)[C@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C ZINC000299816885 IG Annotated Anodyne CCOC(=O)N1C=N[C@]23[C@H](c4ccccc4)[C@@H](c4ccccc4)[C@]12C(=O)N(C)C(=O)N3C ZINC000299816886 IG Annotated Anodyne Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(Br)c1 ZINC000299818674 IG Annotated Anodyne COc1ccc2c(c1)C[C@]1(OC)C(=O)/C(=C(O)/C=C/c3ccccc3)C(=O)C[C@@]1(OC)O2 ZINC000299820683 IG Annotated Mild COc1ccc(C(=O)NCC(=O)NCC#N)cc1C(=O)[C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000299821912 IG Annotated Mild COc1ccc(C(=O)NCC(=O)NCC#N)cc1C(=O)[C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000299821913 IG Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](Cn3ccnc3I)[C@@H]2CC1 ZINC000299822096 IG Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3I)[C@@H]2CC1 ZINC000299822098 IG Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Br)c1 ZINC000299822129 IG Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Br)c1 ZINC000299822132 IG Annotated Anodyne CCOC(=O)Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(C)cc2)nn1 ZINC000299823215 IG Annotated Mild O=C(NNC(=O)N1CCOCC1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299823390 IG Annotated Reactive CN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 ZINC000299823707 IG Annotated Anodyne COC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Nc2cc(OC)ccc2Cl)c1 ZINC000299825174 IG Annotated Anodyne CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299825829 IG Annotated Anodyne CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000299825832 IG Annotated Anodyne O=C(Cn1cc(C[C@@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 ZINC000299825965 IG Annotated Anodyne O=C(Cn1cc(C[C@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 ZINC000299825968 IG Annotated Anodyne COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(Cc4ccccc4)C[C@@H]23)cc1OC ZINC000299827415 IG Annotated Reactive CC(C)CN(C[C@@H](O)CNc1ccc2[nH]ccc2c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299827542 IG Annotated Bother COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299828036 IG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299828037 IG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299828038 IG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299828039 IG Annotated Anodyne Cc1c(C2CN(C(=O)/C=C/c3ccc(NC(=O)Cn4ccnn4)nc3)C2)oc2ccccc12 ZINC000299828398 IG Annotated Anodyne CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(N(C)C)cc12 ZINC000299828648 IG Annotated Anodyne O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000299830066 IG Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@@](C)(O)CN3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299831168 IG Annotated Anodyne COc1cc(Nc2nc3n(n2)C[C@](C)(O)CN3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299831178 IG Annotated Anodyne O=S(=O)(c1cccc(-c2ccc3ncc(-c4ccc(-c5nnn[nH]5)cc4)n3n2)c1)C1CC1 ZINC000299831311 IG Annotated Anodyne COC(=O)[C@@]1(CC=C(C)C)OC(C)(C)[C@@H]2CC(=O)C=C3C(=O)c4c(O)cccc4O[C@]321 ZINC000299831681 IG Annotated Mild CCOC(=O)c1sc2nc(Cc3nnc(S)n3-c3ccccc3)nc(O)c2c1C ZINC000299831750 IG Annotated Anodyne CC1=C[C@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(C(=O)C2=C(O)[C@@H](CO)NC2=O)[C@H]1/C=C/C=C/C[C@@H](C)O ZINC000299832042 IG Annotated Mild CC1=C[C@@H]2C[C@@H](C)CC[C@@H]2[C@@](C)(C(=O)C2=C(O)[C@@H](CO)NC2=O)[C@@H]1/C=C/C=C/C[C@@H](C)O ZINC000299832043 IG Annotated Mild CC(C)CN(C[C@@H](O)CNc1cccc2[nH]ccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299832619 IG Annotated Bother COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(C)cc3)c(=O)c2cc1OC ZINC000299832740 IG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccccc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299833511 IG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccccc4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299833517 IG Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299833584 IG Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299833585 IG Annotated Anodyne Cc1ccc(NC(=S)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1 ZINC000299833597 IG Annotated Anodyne CC(C)Cn1c(=O)c2c3c(cnc2n(CC(C)C)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299833866 IG Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(Br)cn1 ZINC000299833927 IG Annotated Anodyne CNc1nc2cc[nH]c(=O)c(Cc3cc(Br)c(O)c(Br)c3)c-2n1 ZINC000299834067 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(N2CCOCC2)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299834106 IG Annotated Mild Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299834112 IG Annotated Mild CN(C)C(=O)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000299834276 IG Annotated Anodyne CN(C)C(=O)[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 ZINC000299834277 IG Annotated Anodyne COc1cnc2ccc(=O)n(CCN3CCC(c4nc5cc(C#N)ccc5[nH]4)CC3)c2c1 ZINC000299834296 IG Annotated Mild Cc1cc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(F)cc54)CC3)nc2cc1C#N ZINC000299834986 IG Annotated Mild COc1cc(Nc2nc3n(n2)[C@@H](C2CC2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299835454 IG Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C2CC2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299835455 IG Annotated Anodyne COC1=CC(=O)c2c(c(COc3ccc(I)cc3)c(C)n2C)C1=O ZINC000299835737 IG Annotated Mild COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 ZINC000299835820 IG Annotated Anodyne COc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)C[C@@H](O)[C@H]3C(C)(C)OC(=O)CC[C@]3(C)[C@H]1C2 ZINC000299836080 IG Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3ccccc3F)c2)n1 ZINC000299836118 IG Annotated Anodyne Cc1nn(-c2ccccc2)c(SCC(=O)O)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299836384 IG Annotated Mild CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CCOC(F)(F)F)C1 ZINC000299836484 IG Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNCc3ccc(F)cc3)c(O)cc(O)c12 ZINC000299836629 IG Annotated Clean COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncc(Br)s1 ZINC000299836888 IG Annotated Anodyne Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(OC(F)(F)F)c1 ZINC000299837268 IG Annotated Anodyne COC1=CC(=O)c2c(c(COc3cccc(I)c3)c(C)n2C)C1=O ZINC000299837592 IG Annotated Mild CS(=O)(=O)NCCc1cc(-c2ccnc3[nH]nc(C(F)(F)F)c23)cc(C2(C#N)CC2)c1 ZINC000299838205 IG Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncccc1Br ZINC000299838667 IG Annotated Anodyne COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)CCn4sc5cccc(F)c5c4=O)(C3)C1)C2 ZINC000299839063 IG Annotated Anodyne Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1ccc(Br)cc1 ZINC000299839512 IG Annotated Anodyne Cc1c2c(cc(O)c1-c1cc(O)cc(=O)o1)C(=O)c1cc3cc(O)cc(O)c3c(O)c1C2=O ZINC000299839603 IG Annotated Clean Cc1c(-c2cc(O)cc(=O)o2)c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3=O ZINC000299839785 IG Annotated Clean COc1cc2ncn(Cc3ccc(OCc4cccnc4)c(OC)c3)c(=O)c2cc1OC ZINC000299840180 IG Annotated Anodyne C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC[C@H](C)c1ccccc1 ZINC000299840364 IG Annotated Anodyne C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC[C@@H](C)c1ccccc1 ZINC000299840365 IG Annotated Anodyne COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840938 IG Annotated Anodyne COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840939 IG Annotated Anodyne COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840940 IG Annotated Anodyne COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840941 IG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNC4CCCCC4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299841080 IG Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNC4CCCCC4)[C@H](CC[C@@H]21)[C@H]3O ZINC000299841081 IG Annotated Anodyne C[C@H]1NC(=O)Nc2nc3c([C@H]4CCCO4)c(F)c(-c4cnc(C(C)(C)O)nc4)cc3n21 ZINC000299841207 IG Annotated Anodyne C[C@@H]1NC(=O)Nc2nc3c([C@H]4CCCO4)c(F)c(-c4cnc(C(C)(C)O)nc4)cc3n21 ZINC000299841208 IG Annotated Anodyne CN1CCN(c2cc(/C=C/c3ccc(N4CCOCC4)cc3)[n+](C)c3ccccc23)CC1 ZINC000299844571 IG Annotated Clean CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CN[C@H]4C3)c2c1Cl ZINC000299844812 IG Annotated Anodyne O=C(N[C@@H](CO)c1ccccc1)c1ccc2nc(N[C@@H]3CC[C@@H](O)CC3)c3nccn3c2c1 ZINC000299845085 IG Annotated Anodyne COc1ccc(CN2CCOc3ccc(CN4CCCC[C@H]4CO)cc3C2)c(OC)c1 ZINC000299845338 IG Annotated Anodyne C#CCCOC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCC#C)[C@H]1c1ccc(O)cc1 ZINC000299845341 IG Annotated Mild CN1C[C@@H]2[C@@H]3CN(C)[C@@H]4C[C@]3(C(=O)Cc3ccccc3)[C@@H]1C[C@]24C(=O)Cc1ccccc1 ZINC000299846906 IG Annotated Anodyne COc1cccc(CN2C[C@@]34C[C@@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@H]3S2(=O)=O)O4)c1 ZINC000299847659 IG Annotated Anodyne COc1cccc(CN2C[C@@]34C[C@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@@H]3S2(=O)=O)O4)c1 ZINC000299847662 IG Annotated Anodyne COc1cccc(CN2C[C@@]34C[C@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@H]3S2(=O)=O)O4)c1 ZINC000299847664 IG Annotated Anodyne CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@H]32)[C@@H]2C=C(N)C=CC2=N1 ZINC000299848902 IG Annotated Anodyne CCO/C(O)=C(\C#N)C=Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000299849758 IG Annotated Reactive CCO/C(O)=C(/C#N)C=Nc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000299849759 IG Annotated Reactive C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)c1cccnc1)C2(C)C ZINC000299852147 IG Annotated Mild CC(C)COc1nc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1 ZINC000299852238 IG Annotated Bother COc1ccc2c(c1)sc1nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299852446 IG Annotated Anodyne COc1cc2c(cc1O)C(=O)c1c-2n(CCCn2ccnc2)c(=O)c2cc([N+](=O)[O-])ccc12 ZINC000299853109 IG Annotated Clean COc1cc2c(cc1O)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCn1ccnc1)C2=O ZINC000299854402 IG Annotated Clean COc1cccc2c(O)c3c(NCc4cccnc4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299854566 IG Annotated Bother Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CC(=O)NC4=O)cc2)cn1 ZINC000299854593 IG Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2cnnc2)cc1Cl)C3 ZINC000299855828 IG Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2cnnc2)cc1Cl)C3 ZINC000299855830 IG Annotated Anodyne C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000299856226 IG Annotated Mild CCCCCOC(=O)[C@H](C)N[P@](=O)(Oc1ccccc1)O[C@@H]1CC[C@H](O)[C@H]1CO ZINC000299856470 IG Annotated Anodyne CCCCCOC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@@H]1CC[C@H](O)[C@H]1CO ZINC000299856471 IG Annotated Anodyne CC1(C)Cc2c(c(N3CCOCC3)nc(SCCc3ccccc3)c2C(=N)NO)CO1 ZINC000299856798 IG Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299857628 IG Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299857630 IG Annotated Anodyne C[C@H](N[P@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299857631 IG Annotated Anodyne C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 ZINC000299857633 IG Annotated Anodyne COc1cccc2c(O)c3c(NCc4ccccn4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299858224 IG Annotated Bother COCCNC(=O)c1ccc(NCc2ccccn2)c2c(O)c3cccc(OC)c3nc12 ZINC000299858546 IG Annotated Bother C=CCn1c(=Cc2ccccc2OC)c(O)nc(=Cc2cccc(Cl)c2Cl)c1=O ZINC000299859870 IG Annotated Mild CCCCC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299859985 IG Annotated Bother O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)NC1CCCCC1 ZINC000299860061 IG Annotated Anodyne CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)/C=C/[C@H](C)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000299860467 IG Annotated Anodyne CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 ZINC000299860618 IG Annotated Anodyne COCCNC(=O)c1ccc(NCc2ccncc2)c2c(O)c3cccc(OC)c3nc12 ZINC000299860795 IG Annotated Bother O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000299861374 IG Annotated Reactive CC[C@H](C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299861393 IG Annotated Bother CC[C@@H](C)C(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299861394 IG Annotated Bother CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@@H]1CCCN(O)C(=O)C1 ZINC000299861997 IG Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@H]1CCCN(O)C(=O)C1 ZINC000299861998 IG Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1Cl)C3 ZINC000299862746 IG Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2ccnn2)cc1Cl)C3 ZINC000299862747 IG Annotated Anodyne COc1cc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299863010 IG Annotated Bother O=C1Nc2ccc(Cl)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863600 IG Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 ZINC000299863601 IG Annotated Anodyne Cc1nc2onc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299863643 IG Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(SCCN(C)C)=CC(=O)C[C@H]1C ZINC000299863819 IG Annotated Mild O=C(C1CCC1)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299864522 IG Annotated Bother CC(C)CC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000299865195 IG Annotated Bother CCOC(=O)CNC(=O)C(=O)c1[nH]c2cc(OC)cc(OC)c2c1-c1ccc(Cl)cc1 ZINC000299865375 IG Annotated Anodyne COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc1OC ZINC000299865469 IG Annotated Clean COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2S(N)(=O)=O)cc1OC ZINC000299865470 IG Annotated Clean O=c1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)coc2ccc(F)cc12 ZINC000299865631 IG Annotated Mild O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)CC2 ZINC000299865781 IG Annotated Anodyne CCc1nc2onc(-c3ccc(C)cc3)c2c(=O)n1-c1ccc(N2CCOCC2=O)cc1 ZINC000299866062 IG Annotated Anodyne COc1cccc2c(O)c3c(NCc4ccncc4)ccc(C(=O)NCCN(C)C)c3nc12 ZINC000299867088 IG Annotated Bother CN(C)CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 ZINC000299867147 IG Annotated Anodyne COc1cc2nc(/C=C/c3cccc([N+](=O)[O-])c3)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299867234 IG Annotated Bother O=C1CCCC2=C1[C@]1(O)C(=O)c3ccccc3[C@]1(O)N2c1ccc(Br)cc1 ZINC000299867511 IG Annotated Mild CC1(C)Cc2c(C#N)c(SC[C@H](O)c3ccccc3)nc(N3CCOCC3)c2CO1 ZINC000299867943 IG Annotated Mild CC1(C)Cc2c(C#N)c(SC[C@@H](O)c3ccccc3)nc(N3CCOCC3)c2CO1 ZINC000299867944 IG Annotated Mild Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2cncn2)cc1Cl)C3 ZINC000299867969 IG Annotated Anodyne Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2cncn2)cc1Cl)C3 ZINC000299867970 IG Annotated Anodyne O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccc(F)cc12 ZINC000299868699 IG Annotated Mild CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)/C=C/[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C ZINC000299869038 IG Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@H]4[C@]5([C@H]1N(CC)[C@@H]1O[C@@H]5CC[C@]41C)[C@@H]3C[C@@H]2OC(C)=O ZINC000299869222 IG Annotated Mild COc1ccc([C@@H]2[C@@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000299869877 IG Annotated Anodyne COc1ccc([C@@H]2[C@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000299869879 IG Annotated Anodyne COc1ccc([C@H]2[C@@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000299869882 IG Annotated Anodyne COc1ccc([C@H]2[C@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000299869884 IG Annotated Anodyne O=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)CN1 ZINC000299870044 IG Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)Nc3ccc(Br)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299870177 IG Annotated Anodyne O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc(Br)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299870178 IG Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)CC)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(=O)CC ZINC000299870604 IG Annotated Mild C/C(=C\Cc1c(O)cc2c(c1O)CN([C@H](C(=O)O)C(C)C)C2=O)CC/C=C(\C)C(=O)O ZINC000299870872 IG Annotated Clean CN1CCN(c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)CC1 ZINC000299871006 IG Annotated Anodyne O=C1NCC[C@@]12CCCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 ZINC000299871755 IG Annotated Anodyne O=C1NCC[C@]12CCCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 ZINC000299871756 IG Annotated Anodyne C/C(=N/NC(=O)[C@@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299871931 IG Annotated Reactive C/C(=N/NC(=O)[C@H](C#N)C(=S)S)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299871932 IG Annotated Reactive CC1(C)Cc2c(c(N3CCOCC3)nc(SCCc3ccccc3)c2C(N)=O)CO1 ZINC000299871944 IG Annotated Anodyne COc1ccc(CNC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)cc1 ZINC000299872436 IG Annotated Anodyne COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@H](c1cccnc1)N1CCCCC1)C2 ZINC000299872916 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299873830 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299873831 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299873861 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299873862 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299873863 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299873973 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299873974 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299873975 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299875018 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299875019 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299875167 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299875168 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299875641 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299875642 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000299875643 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000299875644 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299875744 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299875745 IG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000299876307 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299876465 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299876515 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299876516 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000299876517 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000299876518 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299876664 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299876665 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)CC ZINC000299876666 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299876873 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000299876874 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299877445 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299877446 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000299877447 IG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000299877448 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877775 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299877776 IG Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2nc1O ZINC000299878658 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299878688 IG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)C1 ZINC000299879065 IG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2F)C1 ZINC000299879066 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299879373 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299879374 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 ZINC000299879829 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000299879830 IG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000299879847 IG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000299879848 IG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000299880116 IG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000299880117 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000299880264 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000299880265 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000299880266 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000299880267 IG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000299880791 IG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000299880792 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000299881037 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000299881038 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000299881039 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 ZINC000299881040 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299881553 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000299881806 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299881807 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299881808 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299881809 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299882452 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)cc1 ZINC000299882453 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299882885 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299882886 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000299882967 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000299882968 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000299882969 IG Annotated Anodyne CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000299882970 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299883006 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299883007 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299883008 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299883009 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000299883126 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000299883127 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000299883128 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 ZINC000299883129 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883198 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299883199 IG Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299883660 IG Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299883661 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 ZINC000299883677 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883822 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883823 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000299883824 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299883825 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000299883826 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299884303 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000299884762 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000299884763 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000299884764 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 ZINC000299884765 IG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299884789 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885498 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299885499 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299885694 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299885695 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000299886891 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000299886892 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000299886893 IG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/C)CC(C)(C)O2 ZINC000299886979 IG Annotated Mild COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887756 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299887757 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c1 ZINC000299887918 IG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000299887959 IG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000299887960 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299887985 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000299887986 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299887987 IG Annotated Anodyne CCOC(=O)c1sc2nc(SCC#N)n(Cc3ccc4c(c3)OCO4)c(=O)c2c1C ZINC000003010491 IG Annotated Mild CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)cc1 ZINC000003017566 IG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 ZINC000003017763 IG Annotated Anodyne COc1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2F)c1 ZINC000003024892 IG Annotated Anodyne C=CCn1c(SCc2cccc(F)c2)nc2cc(C(=O)N3CCOCC3)ccc2c1=O ZINC000003052138 IG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000003209550 IG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000003209551 IG Annotated Mild O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccncc1 ZINC000003218625 IG Annotated Reactive CC(C)(CSc1nncn1/N=C/c1ccco1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003227126 IG Annotated Mild Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br ZINC000003233191 IG Annotated Reactive CC(=O)c1cc(Cl)cc(Cl)c1OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000003252214 IG Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC[C@H]1CCCO1 ZINC000003332823 IG Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)NC[C@@H]1CCCO1 ZINC000003332825 IG Annotated Anodyne Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C ZINC000003417666 IG Annotated Anodyne COc1ccc(CCNc2nnc(Sc3nnnn3-c3ccccc3)s2)cc1OC ZINC000003418559 IG Annotated Anodyne Cc1ccc2nc(COc3ccc(N(C)S(=O)(=O)c4ccccc4)cc3)cc(=O)n2c1 ZINC000003428555 IG Annotated Anodyne CC1(C)O[C@@H]2O[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(=O)[C@H]2O1 ZINC000301054820 IG Annotated Reactive CC1(C)C[C@@H](N)[C@@](C(=O)O)(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)N1O ZINC000306147365 IG Annotated Anodyne CC1(C)C[C@H](N)[C@](C(=O)O)(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)N1O ZINC000306147366 IG Annotated Anodyne CC1(C)C[C@H](N)[C@@](C(=O)O)(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)N1O ZINC000306147367 IG Annotated Anodyne CC1(C)C[C@@H](N)[C@](C(=O)O)(C(=O)OCC2c3ccccc3-c3ccccc32)C(C)(C)N1O ZINC000306147368 IG Annotated Anodyne C=C1[C@H]2C[C@@]3(C)C(=C)[C@@]4(C(=O)O[C@H](C)[C@]4(O)C3=O)[C@]2(C)CC[C@]12C=CC(=O)OC2(C)C ZINC000031160119 IG Annotated Mild CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CCO[C@H]4O3)[C@H]1CCC[C@]21CO1 ZINC000031167034 IG Annotated Anodyne in-vitro CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc2ccccc2c1 ZINC000031174644 IG Annotated Anodyne CCOC(=O)N1C=N[C@@]23[C@@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C ZINC000031842279 IG Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872509 IG Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872511 IG Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872513 IG Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)O[C@@H]2[C@H]1COC(C)(C)O1 ZINC000031872515 IG Annotated Anodyne COc1cc([C@](O)(CC#N)c2cc3c(cc2Br)OCO3)cc(OC)c1OC ZINC000031896261 IG Annotated Mild COC(=O)[C@@H](Cc1ccccc1I)C1=CCC2(CC1)OCCO2 ZINC000031899926 IG Annotated Anodyne COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC ZINC000031900938 IG Annotated Anodyne Cc1cc(C)c([S@](=O)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)c(C)c1 ZINC000031905674 IG Annotated Anodyne Cc1cc2c(cc1Cl)SC(NS(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000031910007 IG Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1OC ZINC000032221526 IG Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1OC ZINC000032221528 IG Annotated Anodyne CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@H](O)CC[C@@]12C)[C@H](C(=O)O)[C@@H]3C(=O)O ZINC000033363599 IG Annotated Anodyne C/C(=N\NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1 ZINC000033400124 IG Annotated Reactive C/C(=N/NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1 ZINC000033400126 IG Annotated Reactive COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3[N+](=O)[O-])C2=O)c(OC)c1 ZINC000033557282 IG Annotated Clean COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000033616345 IG Annotated Clean Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000033633778 IG Annotated Anodyne CC(=O)OC[C@@]12[C@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@@]21CO1 ZINC000033698512 IG Annotated Anodyne Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000033817040 IG Annotated Bother O=C1C=C(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc2/C1=N\Nc1c(O)ccc2ccccc12 ZINC000033838153 IG Annotated Mild in-vitro C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 ZINC000033954861 IG Annotated Anodyne CCC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)/C(=C\C=C4/CCCC(C)(C)C4)[C@@H]3[C@@H]21 ZINC000033955591 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C\CCN1CCNCC1)c1ccccc1S2 ZINC000033956324 IG Annotated Anodyne investigational COC(=O)c1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCCCCO)C2)cc1 ZINC000034158176 IG Annotated Anodyne CCOC(=O)C1CCN(c2ncnc(Oc3ccc(CCC(C)=O)cc3)c2[N+](=O)[O-])CC1 ZINC000034208050 IG Annotated Bother C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000034332557 IG Annotated Anodyne COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000034518675 IG Annotated Bother COc1cc(O)c(C(C)=O)c(O)c1-c1c(C)cc(O)c2c1C(=O)c1cccc(O)c1C2=O ZINC000034651840 IG Annotated Clean C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(OC)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000034651848 IG Annotated Anodyne Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(C(N)=O)cc2Cl)c(C)c1 ZINC000034816693 IG Annotated Anodyne CC[C@@H](C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000034817392 IG Annotated Anodyne CC[C@H](C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 ZINC000034817394 IG Annotated Anodyne Cc1ccc2oc(=O)c(C[C@@H](CCc3ccc(OCCN(C)C)cc3)C(=O)NO)cc2c1 ZINC000034851708 IG Annotated Bother Cc1ccc2oc(=O)c(C[C@H](CCc3ccc(OCCN(C)C)cc3)C(=O)NO)cc2c1 ZINC000034851710 IG Annotated Bother COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c(OC)c1 ZINC000034858157 IG Annotated Anodyne COc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccc(C)cc3)N[C@](CC(C)C)(C(=O)O)[C@@H]2C1=O ZINC000034858260 IG Annotated Anodyne Cc1ccc(CNC(=O)Cn2c(=O)c3sccc3n(Cc3ccccc3C)c2=O)cc1 ZINC000034858262 IG Annotated Anodyne O=C(c1ccc(SCCN2CCOCC2)c([N+](=O)[O-])c1)N1CCc2ccccc2C1 ZINC000034859812 IG Annotated Anodyne Cc1ccc(F)cc1NC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C ZINC000034861255 IG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1cccs1 ZINC000034861317 IG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC(/C(O)=N/c2ncc(Br)s2)CC1 ZINC000034864859 IG Annotated Anodyne C=CCn1c(SCc2ccccc2F)nc2cc(C(=O)N3CCOCC3)ccc2c1=O ZINC000034896248 IG Annotated Mild O=C1C=C(Nc2ccc(I)cc2)C(=O)c2[nH]c(-c3ccccn3)nc21 ZINC000003588222 IG Annotated Mild O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(Br)c12 ZINC000003591453 IG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(C(F)(F)F)ccc12 ZINC000003591460 IG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(Br)cccc12 ZINC000003591464 IG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc(Br)cc12 ZINC000003591480 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000003596699 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000003596701 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000003596706 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O ZINC000003596708 IG Annotated Anodyne O=C1NC(=O)/C(=C2\CN(Cc3ccc(Cl)s3)S(=O)(=O)c3ccccc32)S1 ZINC000003630159 IG Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S)nc2c1 ZINC000003630218 IG Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 ZINC000003630220 IG Annotated Anodyne O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S)nc2c1 ZINC000003631959 IG Annotated Anodyne O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 ZINC000003631961 IG Annotated Anodyne COc1ccc(NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(S)nc3c2)c(OC)c1 ZINC000003631971 IG Annotated Anodyne COc1ccc(NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(S)nc3c2)c(OC)c1 ZINC000003631973 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000003637024 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000003637025 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641391 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641393 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641394 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000003641397 IG Annotated Anodyne Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 ZINC000003645699 IG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncco3)ccc(F)c12 ZINC000003648842 IG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cnco3)ccc(F)c12 ZINC000003648916 IG Annotated Anodyne CSC(=O)N1C(=O)C2(CCC2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000003649684 IG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c21 ZINC000003662154 IG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c21 ZINC000003662155 IG Annotated Anodyne CN(CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 ZINC000003670356 IG Annotated Anodyne CN(CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 ZINC000003670358 IG Annotated Anodyne CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC2CC2)cc1 ZINC000003670488 IG Annotated Anodyne CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@]2(O)C(=O)NC2CC2)cc1 ZINC000003670489 IG Annotated Anodyne O=C1c2c(F)cccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F ZINC000003776016 IG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1 ZINC000003784753 IG Annotated Anodyne CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1ccc(OC)cc1 ZINC000003797888 IG Annotated Anodyne C[C@@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(c32)S1 ZINC000003801947 IG Annotated Anodyne O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1 ZINC000003810793 IG Annotated Anodyne COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)O2 ZINC000003813886 IG Annotated Bother CCCc1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 ZINC000003815638 IG Annotated Anodyne COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O ZINC000003826075 IG Annotated Anodyne Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cc4ccccc4cn1)C(=O)N3CC2 ZINC000003827877 IG Annotated Anodyne CC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000003832151 IG Annotated Anodyne Nc1nc2c(nc(Br)n2[C@@H]2CCCc3cccc(Br)c32)c(=O)[nH]1 ZINC000003842937 IG Annotated Anodyne CNC[C@H](O)c1ccc(O)c([C@]2(O)c3ccccc3-[n+]3ccc4c([nH]c5ccccc54)c32)c1 ZINC000003875106 IG Annotated Anodyne C[C@@H]1CC(C)(C)N[C@H](CCO[P@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000003917646 IG Annotated Reactive COc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3NC2CC2)cc1 ZINC000003920925 IG Annotated Bother in-vitro C/C=C(\C=C(C)\C=C\CC/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](C)(O)NC2=O)C(=O)OC(C)(C)C ZINC000003928360 IG Annotated Mild COc1ccccc1CCN/C(N)=N/c1nc(-c2ccc(CNC(C)=O)s2)cs1 ZINC000003928847 IG Annotated Mild C=C1C(=O)[C@]2(OC)C(=O)O[C@@]34C[C@H](C)C(C(=O)O)=C[C@@H]3CCC[C@@H](C)C[C@@H](C)[C@H]1O[C@H]24 ZINC000003941065 IG Annotated Mild COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O ZINC000003958474 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O ZINC000003958478 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O ZINC000003958481 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O ZINC000003958484 IG Annotated Anodyne CCOc1cc2[nH]c(=O)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC ZINC000003958702 IG Annotated Anodyne O=C(N[C@@H]1N=C(c2ccccc2)c2cc(O)cc3c2N(CC3)C1=O)c1cc2ccccc2cn1 ZINC000003959302 IG Annotated Anodyne CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1C ZINC000003959377 IG Annotated Anodyne CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C ZINC000003959383 IG Annotated Anodyne CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 ZINC000003975528 IG Annotated Anodyne C=C1C(=O)OC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000003982212 IG Annotated Mild COc1ccc2c(c1-c1cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc1N)OCO2 ZINC000035000915 IG Annotated Bother O=C(NCc1ccc(F)cc1)c1c(O)c2ncsc2n(-c2cccc([N+](=O)[O-])c2)c1=O ZINC000035010327 IG Annotated Bother CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049993 IG Annotated Anodyne CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 ZINC000035049994 IG Annotated Anodyne C[C@]12C[C@@]34CCC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 ZINC000035050252 IG Annotated Anodyne in-vivo CCc1cn2c(/C=N/N=C(N)N)c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nc2s1 ZINC000035086216 IG Annotated Mild CS(=O)(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 ZINC000035087129 IG Annotated Anodyne COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)c(OC)c1 ZINC000035111070 IG Annotated Anodyne COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)c(OC)c1 ZINC000035111073 IG Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(CN2CCOCC2)ccc1O ZINC000035242421 IG Annotated Clean CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCCCF)c2)C1=O ZINC000035261802 IG Annotated Anodyne CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)C1=O ZINC000035261808 IG Annotated Anodyne C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@H]3[C@H](C[C@@H]1C4)O2 ZINC000035269567 IG Annotated Mild in-vitro O=C(Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12)[C@@H]1CCCNC1 ZINC000035277685 IG Annotated Anodyne O=C(Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12)[C@H]1CCCNC1 ZINC000035277692 IG Annotated Anodyne COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000035801180 IG Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)C(C)(C)CC[C@H](OC(C)=O)[C@]2(C)[C@H]2Cc3occc3[C@](C)(O)[C@H]12 ZINC000035819273 IG Annotated Anodyne in-vitro biogenic CC(=O)OCC(=O)N1CCC(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1 ZINC000035880667 IG Annotated Anodyne COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000035933997 IG Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000035934329 IG Annotated Anodyne CCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21 ZINC000035998068 IG Annotated Anodyne COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1ccccc1F ZINC000036070449 IG Annotated Anodyne COc1ccc(-n2cc(C(=O)c3cc(Br)ccc3OCC(=O)O)cn2)cc1 ZINC000036127043 IG Annotated Anodyne CN(C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)CCO ZINC000036178080 IG Annotated Anodyne CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCN(c3ccc(OC)cc3)CC1)S2 ZINC000036201434 IG Annotated Clean CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCN(c3ccc(OC)cc3)CC1)S2 ZINC000036201437 IG Annotated Clean COc1ccc([C@H](CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)no2)cn1 ZINC000036269250 IG Annotated Anodyne COc1ccc([C@@H](CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)no2)cn1 ZINC000036269253 IG Annotated Anodyne CNc1cccc(CCOc2cc(C[C@@H](CC(=O)O)c3ccc4c(c3)OCO4)on2)n1 ZINC000036269282 IG Annotated Anodyne CNc1cccc(CCOc2cc(C[C@H](CC(=O)O)c3ccc4c(c3)OCO4)on2)n1 ZINC000036269286 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O ZINC000036287146 IG Annotated Anodyne CCN(CCCN(C)C)CCN1CCN(Cc2cccc3ccccc23)C1=C(C#N)C#N ZINC000036289090 IG Annotated Reactive N#CC(C#N)=C1N(CCNCc2ccc(CN3CCCCC3)o2)CCN1c1ccccc1 ZINC000036338473 IG Annotated Reactive COc1cc(Nc2ncc3ccn(-c4cccc(-c5nnn[nH]5)c4)c3n2)cc(OC)c1OC ZINC000036348771 IG Annotated Anodyne CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(OC)cc5)sc4c3=O)cn2)C1 ZINC000036351525 IG Annotated Anodyne CN(C)C(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375542 IG Annotated Clean NC(=O)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375763 IG Annotated Anodyne C=C[C@H](COC(C)=O)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000036376064 IG Annotated Mild C=C[C@@H](COC(C)=O)N(C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)cc1 ZINC000036376072 IG Annotated Mild CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 ZINC000036378228 IG Annotated Anodyne O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCNCC1 ZINC000036381432 IG Annotated Anodyne CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@@H]1c1ccccc1 ZINC000036381994 IG Annotated Anodyne CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036382322 IG Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382418 IG Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000036382419 IG Annotated Anodyne COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCC(=O)c3ccc(Cl)cc3)nc2c1 ZINC000036383265 IG Annotated Anodyne NC(=O)CCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000036383474 IG Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036384306 IG Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036384313 IG Annotated Anodyne CCCn1c(-c2ccc(F)cc2)nc2c(N3CCN(CCn4ccnc4)CC3)nc(C)nc21 ZINC000036384596 IG Annotated Anodyne O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccs1 ZINC000036385967 IG Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386422 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)N[C@@]2(C)C(=O)OC ZINC000036386430 IG Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000036386454 IG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386464 IG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386467 IG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccccc4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386477 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N1CCC[C@@]21C(=O)OC ZINC000036386480 IG Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(SC3CCCCC3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386506 IG Annotated Anodyne CC[C@@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036386510 IG Annotated Anodyne CC[C@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036386511 IG Annotated Anodyne CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(F)cc4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000036386517 IG Annotated Anodyne COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3cccc(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000036386526 IG Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386548 IG Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386549 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3ccc(Cl)cc3NC(=O)[C@@]12C ZINC000036387202 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]12C ZINC000036387203 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3c(C)cc(C)cc3NC(=O)[C@@]12C ZINC000036387209 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C ZINC000036387210 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387231 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(F)ccc3NC(=O)[C@@]12C ZINC000036387232 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C ZINC000036387236 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(F)cc3NC(=O)[C@@]12C ZINC000036387362 IG Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC ZINC000036387619 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036387740 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000036387741 IG Annotated Anodyne Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCNC(=O)OC(C)(C)C)cc1 ZINC000036387749 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 ZINC000036387771 IG Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388482 IG Annotated Anodyne COCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(OC(F)(F)F)cc1)C2 ZINC000036388484 IG Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388523 IG Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 ZINC000036388562 IG Annotated Anodyne C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389046 IG Annotated Anodyne C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000036389047 IG Annotated Anodyne CCCSc1ccc2c(c1)nc(NC(=O)OC)n2COC(=O)c1ccc(CN)cc1 ZINC000036402538 IG Annotated Anodyne Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(-n3cccn3)cc1C)CC2 ZINC000036410462 IG Annotated Anodyne CC1(C)O[C@@](C)([C@H]2CC[C@](C)(NC=O)[C@H]3CC[C@@](C)(O)[C@H](N=C=O)[C@@H]32)CC[C@@H]1Cl ZINC000036444575 IG Annotated Reactive COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2=O)c(OC)c1 ZINC000037999211 IG Annotated Anodyne Cn1ccc(=Nc2ccc(C(=O)c3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000377406478 IG Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccc3ccccc3c2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377812421 IG Annotated Mild CCOC(=O)[C@H]1[C@H]2CC[C@H]3C[C@@]4(CCC=C[C@H](CC)O4)N=C(N[C@@]14CCC[C@@H](C)O4)N32 ZINC000377813757 IG Annotated Anodyne C[C@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377815868 IG Annotated Anodyne C[C@@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377815869 IG Annotated Anodyne C[C@@H](Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O)c1ccccc1 ZINC000377815874 IG Annotated Anodyne C[C@H](Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O)c1ccccc1 ZINC000377815875 IG Annotated Anodyne N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O ZINC000377845797 IG Annotated Mild CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C ZINC000038140032 IG Annotated Mild CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@H]1c1ccccc1 ZINC000038142367 IG Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C/c1oc2ccccc2[n+]1CC ZINC000038146359 IG Annotated Anodyne CCN1/C(=C/C=c2\sc(=CC3=[N+](CC)CCS3)n(CC)c2=O)C=Cc2ccccc21 ZINC000038146379 IG Annotated Anodyne CN(C)Cc1ccc(CCN2CCn3nc(C(=O)Nc4ccc(F)cc4)cc3C2=O)cc1 ZINC000038149869 IG Annotated Anodyne C[n+]1ccc(Nc2ccc(C(=O)c3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 ZINC000038158037 IG Annotated Anodyne C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn[nH]2)c1 ZINC000038210420 IG Annotated Anodyne COC(=O)C1=C2CCC3=C2[C@@]2(C1)C1=NC[C@@H](C)[C@]14CC[C@@]2(COC(C)=O)[C@H](CC3)[C@H]4O ZINC000038212242 IG Annotated Anodyne CC(C)=CC(=O)C/C(C)=C/COc1ccc(CCN(C)C(=O)/C=C/S(C)(=O)=O)cc1 ZINC000038216568 IG Annotated Mild C=C([C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000038226438 IG Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000038226439 IG Annotated Mild C=C([C@@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000038226440 IG Annotated Mild C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@@H]2O[C@]2(C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000038226441 IG Annotated Mild CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)C)cn1 ZINC000038254635 IG Annotated Anodyne C=C[C@@]1(C)CCC2=C([C@H]1OC(C)=O)[C@H](O)C[C@@H]1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(=O)OC ZINC000038290296 IG Annotated Mild C=C(C)[C@@H](O)CC[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@](C)(O)/C=C/C(=O)/C(CO)=C\C1 ZINC000038300043 IG Annotated Mild CN(C[C@@](C)(CCN1CC[C@H]2NCC[C@@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038321306 IG Annotated Anodyne CC1=CC(=O)O[C@@H]1CC[C@H](C)C(=O)[C@@]1(O)C2=CC(C)(C)O[C@]2(O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]21 ZINC000038359830 IG Annotated Anodyne in-vitro Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc4[nH]ccc4c3)sc12 ZINC000038382537 IG Annotated Anodyne Cc1cc(O)c2c(c1)C(=O)c1c(Br)c(O)c(Br)c(O)c1C2=O ZINC000038428321 IG Annotated Clean CCOC(=O)C1CCN(c2ncnc(Oc3ccc(CCOC)cc3)c2[N+](=O)[O-])CC1 ZINC000038428522 IG Annotated Bother NC(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](C(F)F)[C@H]3[C@@H]3CCCN32)cc1 ZINC000038444302 IG Annotated Anodyne in-vivo O=C(O)C[C@@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCO2 ZINC000038449759 IG Annotated Anodyne C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000038449938 IG Annotated Anodyne COC(=O)[C@@H]1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)[C@H]12 ZINC000038560850 IG Annotated Anodyne COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]3COC[C@H]32)cc(OC)c1OC ZINC000038561996 IG Annotated Anodyne C/C=C/c1oc(=O)c(COCc2c(OC)c(C=O)c(/C=C/C)oc2=O)c(OC)c1C=O ZINC000038655031 IG Annotated Anodyne O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@]1(O)Cc1ccc(O)cc1 ZINC000038664782 IG Annotated Anodyne in-vitro COC(=O)/C(C)=C1\C(=O)C[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)OC ZINC000038800102 IG Annotated Mild Cc1cc(C)cc(Oc2c(Cn3ccnn3)c(C)[nH]c(=O)c2I)c1 ZINC000038840322 IG Annotated Anodyne CCCC(=O)O[C@@H]1CC/C(C)=C\[C@H]2O[C@]2([C@@H](C)C(=O)OC)C(=O)[C@H]2[C@H](C)C(=O)C=C[C@@]21C ZINC000038969526 IG Annotated Mild CSc1ccc(C#CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)SC(=O)NC2=O)cc1 ZINC000038991787 IG Annotated Mild CSc1ccc(C#CC[C@]2(S(=O)(=O)c3ccc(F)cc3)SC(=O)NC2=O)cc1 ZINC000038991788 IG Annotated Mild CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C ZINC000039013200 IG Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc([C@@H]2CSC([C@]3(C)CO3)=N2)n1)OC ZINC000039013500 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@]4(CCC=C[C@@H](CC)O4)NC(=N[C@]14CCC[C@H](C)O4)N23 ZINC000039065527 IG Annotated Anodyne CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(Cl)cccc2s1 ZINC000039107740 IG Annotated Anodyne CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(Cl)cccc2s1 ZINC000039107741 IG Annotated Anodyne CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 ZINC000039148482 IG Annotated Anodyne CC(=O)O[C@@H]1O[C@H](OC(C)=O)[C@@H](O)[C@]12O[C@@H]2C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000039165260 IG Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)[C@H](O)[C@@H]3O[C@@H]32)O[C@H]1O ZINC000039165412 IG Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(C=C(Cl)[C@@H](O)[C@H]3O[C@H]32)O[C@H]1O ZINC000039182227 IG Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1SC1CCCCC1 ZINC000039346356 IG Annotated Anodyne NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2cccs2)cc1Oc1ccccc1 ZINC000039378682 IG Annotated Anodyne COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@@H](c1cccnc1)N1CCCCC1)C2 ZINC000039510475 IG Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc2ccc(C(N)N)cc2c1)c1ccc(O[C@H]2CCNC2)cc1 ZINC000039680362 IG Annotated Anodyne in-vivo COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1 ZINC000004001670 IG Annotated Anodyne Cc1cc(C)c2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1 ZINC000004034603 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12 ZINC000004034796 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004034797 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12 ZINC000004034798 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 ZINC000004034799 IG Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C ZINC000004035470 IG Annotated Anodyne CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C ZINC000004035471 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004038719 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004038727 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004038736 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004038755 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038879 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038884 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000004038886 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004038969 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004038974 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004038977 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)CC ZINC000004038981 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004039077 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004039080 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004039082 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004039085 IG Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039621 IG Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004039622 IG Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039626 IG Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004039628 IG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004040625 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004040629 IG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004040632 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 ZINC000004040635 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004041059 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004041062 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004041070 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC ZINC000004041074 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041110 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041112 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041118 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041123 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCOC ZINC000004041907 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCOC ZINC000004041910 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCOC ZINC000004041915 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCOC ZINC000004041916 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004041957 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)cc1 ZINC000004041958 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004041960 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)cc1 ZINC000004041964 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043456 IG Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004043457 IG Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043458 IG Annotated Mild CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004043459 IG Annotated Mild CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)c1 ZINC000004043510 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)c1 ZINC000004043511 IG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)c1 ZINC000004043513 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)c1 ZINC000004043514 IG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004043637 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004043640 IG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004043643 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000004043644 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044113 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044114 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044118 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 ZINC000004044123 IG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004045171 IG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004045174 IG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004045178 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC ZINC000004045179 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045225 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045227 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045230 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004045233 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045541 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045542 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045584 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004045586 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004045594 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000004045596 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045628 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004045630 IG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c1 ZINC000004046306 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c1 ZINC000004046307 IG Annotated Anodyne CC1CCN(c2ccc3[nH]c(=O)c(CCCNC(=O)OCc4ccccc4)nc3n2)CC1 ZINC000004048870 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049342 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049343 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049344 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004049345 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051831 IG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051832 IG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004051833 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051875 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051878 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051880 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 ZINC000004051883 IG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004051909 IG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 ZINC000004051910 IG Annotated Anodyne CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052653 IG Annotated Bother CC(C)(CO)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052656 IG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004053671 IG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004053674 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004053678 IG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004053714 IG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004053718 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004053722 IG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054920 IG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054921 IG Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004054922 IG Annotated Anodyne O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004054923 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055178 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055179 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055180 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055181 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055198 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055199 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055200 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055201 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004055326 IG Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004055327 IG Annotated Mild COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004055328 IG Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004055329 IG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055338 IG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055339 IG Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055340 IG Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055341 IG Annotated Mild COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004076944 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004076957 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004076988 IG Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080809 IG Annotated Anodyne COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080811 IG Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004080812 IG Annotated Anodyne COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004080814 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004081123 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004081126 IG Annotated Anodyne COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004081372 IG Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004081374 IG Annotated Bother COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004081407 IG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004081408 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004081409 IG Annotated Anodyne CCC(=O)N1c2c(cc(OC)c(OC)c2O)[C@@]23CCN4CCC[C@]5(CCO[C@@]452)CC[C@@H]13 ZINC000004097855 IG Annotated Anodyne in-vitro CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1 ZINC000004097870 IG Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C\C)[C@H]12 ZINC000004098117 IG Annotated Anodyne in-vitro COc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000004100355 IG Annotated Anodyne CO[C@@H]1/C=C/C=C(\C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O ZINC000004102389 IG Annotated Anodyne in-vitro CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccc(Cl)cc23)CC1 ZINC000004110536 IG Annotated Anodyne Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000004119237 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004151923 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004151924 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004151925 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004151926 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004151946 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004151947 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@@H](O)CC)cc1 ZINC000004151948 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@H](O)CC)cc1 ZINC000004151949 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004152111 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO ZINC000004152112 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004152113 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO ZINC000004152114 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152358 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152359 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152361 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152362 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO ZINC000004152521 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO ZINC000004152522 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO ZINC000004152523 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO ZINC000004152524 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153908 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153909 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153910 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154309 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004154310 IG Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000004175592 IG Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000004175597 IG Annotated Anodyne CCCCC1=NN(C(=O)C(=O)Nc2ccc(Br)cc2)[C@](O)(C(F)(F)F)C1 ZINC000004199520 IG Annotated Anodyne CCCCC1=NN(C(=O)C(=O)Nc2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 ZINC000004199521 IG Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004201914 IG Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004201915 IG Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004201920 IG Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004201922 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004202090 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004202092 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004202212 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004202213 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004202214 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004202215 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N(C)C ZINC000004204555 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N(C)C ZINC000004204556 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C ZINC000004204564 IG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N(C)C ZINC000004204565 IG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204587 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204590 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004204592 IG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205846 IG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205847 IG Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004205849 IG Annotated Anodyne O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004205851 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004206604 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206607 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004206609 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004206612 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004206658 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206660 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004206663 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004206665 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004206960 IG Annotated Mild COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004206962 IG Annotated Mild COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004206964 IG Annotated Mild COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c(OC)c1OC ZINC000004206967 IG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206988 IG Annotated Mild N#CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206991 IG Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206996 IG Annotated Mild N#CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004206997 IG Annotated Mild COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004208478 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004208479 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004208480 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004208481 IG Annotated Anodyne COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004211394 IG Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000004211397 IG Annotated Bother COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004211463 IG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004211464 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004211467 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212230 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212233 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212235 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004212238 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212357 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004212359 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212363 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@H](O)CC ZINC000004212368 IG Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO ZINC000004213640 IG Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCOCCO ZINC000004213643 IG Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO ZINC000004213646 IG Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCOCCO ZINC000004213649 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC ZINC000004214035 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCCOC ZINC000004214036 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC ZINC000004214038 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCCOC ZINC000004214039 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CCOCC1 ZINC000004215599 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N1CCOCC1 ZINC000004215601 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CCOCC1 ZINC000004215602 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N1CCOCC1 ZINC000004215604 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 ZINC000004215605 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N1CCOCC1 ZINC000004215607 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 ZINC000004215608 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N1CCOCC1 ZINC000004215609 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216592 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCC(C)(C)CO ZINC000004216594 IG Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216597 IG Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCC(C)(C)CO ZINC000004216601 IG Annotated Bother O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 ZINC000004238701 IG Annotated Anodyne O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 ZINC000004239124 IG Annotated Anodyne O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004239187 IG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295746 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004295750 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004295752 IG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004295873 IG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004295874 IG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004295876 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004295878 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296173 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296174 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296179 IG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000004296180 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296194 IG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296195 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296197 IG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296198 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296453 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296454 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296455 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296456 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296555 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296556 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296557 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296558 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004296604 IG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004296605 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004296719 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004296720 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004296721 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCOC ZINC000004296726 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCOC ZINC000004296727 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC ZINC000004296728 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC ZINC000004296729 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004296872 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000004296873 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296987 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296988 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296989 IG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC ZINC000004296990 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310345 IG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310346 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310347 IG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310348 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004310394 IG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000004310395 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310610 IG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310611 IG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310612 IG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004310613 IG Annotated Anodyne Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)no1 ZINC000004383650 IG Annotated Anodyne Cc1nc(/N=N/c2ccc(C(=O)O)c(Cl)c2)c(COP(=O)(O)O)c(C=O)c1O ZINC000004392986 IG Annotated Clean Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000004399806 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCCCC2)cc1 ZINC000004399807 IG Annotated Anodyne CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@@H](C(=O)O)[C@H]4C(=O)O ZINC000004416487 IG Annotated Anodyne CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@@H](C(=O)O)[C@@H]4C(=O)O ZINC000004416488 IG Annotated Anodyne CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@H](C(=O)O)[C@H]4C(=O)O ZINC000004416489 IG Annotated Anodyne CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@H](C(=O)O)[C@@H]4C(=O)O ZINC000004416490 IG Annotated Anodyne Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1c(F)cccc1Cl ZINC000004436617 IG Annotated Anodyne CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)c3C2=O)CC1 ZINC000004437360 IG Annotated Anodyne CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@H](C)C[C@@H](C)C4)c3C2=O)CC1 ZINC000004437362 IG Annotated Anodyne CNCC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1 ZINC000040393270 IG Annotated Mild C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000040393368 IG Annotated Mild CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(-c3ccccc3)nnc12 ZINC000040393682 IG Annotated Anodyne CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5[nH]c(=O)[nH]c5c4)c3n2)CC1 ZINC000040394316 IG Annotated Anodyne Cc1cc2cc3nc(cc4cc(C)c(cc5nc(cc1[nH]2)C(=O)[C@]5(C)O)[nH]4)C(=O)[C@]3(C)O ZINC000040394902 IG Annotated Bother CC1(c2ccc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(C#N)c3)cc2)CC1 ZINC000040394914 IG Annotated Mild COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@@H](O)CCCC(C)(C)O)cccc3nc12 ZINC000040401898 IG Annotated Bother COC(=O)c1cccc2nc3c([C@@H](C(=O)OC)[C@H](O)CCCC(C)(C)O)cccc3nc12 ZINC000040401901 IG Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@@H](O)CCCC(C)(C)O)cccc3nc12 ZINC000040401904 IG Annotated Bother COC(=O)c1cccc2nc3c([C@H](C(=O)OC)[C@H](O)CCCC(C)(C)O)cccc3nc12 ZINC000040401907 IG Annotated Bother CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21 ZINC000040405819 IG Annotated Anodyne COc1cc(COC(C)=O)c(-c2cc3c(cc2COC(C)=O)OCO3)c(OC)c1OC ZINC000040407658 IG Annotated Anodyne CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCC1CCN(C)CC1 ZINC000040407676 IG Annotated Mild COc1cc([C@@]2(C)C3=C(COC3=O)N(C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000040409220 IG Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccccc4[N+](=O)[O-])CC3)cc1CC2 ZINC000040409838 IG Annotated Bother C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H]3CC[C@@]2(C)O1 ZINC000040412455 IG Annotated Mild COC(=O)[C@@H]1C[C@]23C4=NC[C@@H](C)[C@]45CC[C@@]2(COC(C)=O)[C@H](CCC2=C3[C@@H]1CC2)[C@H]5O ZINC000040412534 IG Annotated Anodyne Nc1nc(=S)[nH]c2nc3nc(=S)[nH]c(O)c3c(-c3ccc(N4CCOCC4)cc3)c12 ZINC000040413047 IG Annotated Bother CCOC(=O)c1c2c(n(-c3ccc(C(F)(F)F)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040414150 IG Annotated Clean COc1ccc2c(c1-c1cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc1N)OCO2 ZINC000040421179 IG Annotated Bother CCOc1ccc(Cc2ccc(C(=O)N/C=C\CCCC(=O)NCC(=O)OC)cc2)cc1 ZINC000040421763 IG Annotated Anodyne N=C(N)SCCCn1c(=O)c2n3ccc4cccc(c43)c3cc4ccccc4n3c=2c1=O ZINC000040422218 IG Annotated Bother N=C1S/C(=C\c2cc(CC(N)=O)[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1 ZINC000040422644 IG Annotated Anodyne CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccco5)cc43)cc2)CC1 ZINC000040422976 IG Annotated Anodyne COc1cccc(Cn2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1 ZINC000040423012 IG Annotated Anodyne O=C1Nc2ccc(OC(F)(F)F)cc2/C1=N/NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000040423034 IG Annotated Mild CCN(CC)c1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423079 IG Annotated Mild CCN(CC)c1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423080 IG Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000040423221 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000040423834 IG Annotated Anodyne CN(C)CCN1C(=O)c2c(c3c4cc5c(cc4[nH]c3c3[nH]c4ccncc4c23)OCO5)C1=O ZINC000040424776 IG Annotated Bother COc1cc(OC)c2c(=O)c3ccc(N4CCN(c5ccccn5)CC4)cc3n(C)c2c1 ZINC000040428884 IG Annotated Bother CC(=O)O[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@@H](/C=C/c1ccccc1)OC(=O)[C@H](C)N(C)C ZINC000040430312 IG Annotated Anodyne N#C/C=C1/c2ccccc2N=C(N2CCN(CCN3CCOC3=O)CC2)c2ccccc21 ZINC000040433998 IG Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@H](C(=O)O)CN3c1ccc(F)cc1 ZINC000040465192 IG Annotated Clean O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)C(=O)[C@@H](C(=O)O)CN3c1ccc(F)cc1 ZINC000040465193 IG Annotated Clean C(=N\NC1=NCCS1)\c1ccc(-c2cn3cc(/C=N\NC4=NCCS4)ccc3n2)cc1 ZINC000040496442 IG Annotated Mild C(=N\NC1=NCCS1)\c1ccc2nc(-c3ccc(/C=N/NC4=NCCS4)cc3)cn2c1 ZINC000040496443 IG Annotated Mild C(=N\NC1=NCCS1)\c1ccc(-c2cn3cc(/C=N/NC4=NCCS4)ccc3n2)cc1 ZINC000040496444 IG Annotated Mild CCOC(=O)CNC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@H]1[N+]2(C)Cc1ccccc1 ZINC000040496478 IG Annotated Bother CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@H]1[N+]2(C)Cc1ccccc1 ZINC000040496480 IG Annotated Bother CC(C)C(=O)OCC(=O)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@@]21C ZINC000040496601 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000040496604 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000040496606 IG Annotated Anodyne CC(C)C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C ZINC000040496608 IG Annotated Anodyne C/C=C/c1ccc(O[C@@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503500 IG Annotated Anodyne C/C=C/c1ccc(O[C@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040503503 IG Annotated Anodyne CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCN(CC)CC2)c1 ZINC000040565655 IG Annotated Clean O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(CO)CC3)co2)cc1 ZINC000040567251 IG Annotated Anodyne COC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1 ZINC000040567281 IG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccc(CCO)cc2)C3=O)C(=O)O1 ZINC000040576587 IG Annotated Mild C[C@H](Nc1c(-c2c(F)cc(OCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000040577217 IG Annotated Anodyne Cc1cc(N2C[C@H](C)N[C@@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 ZINC000040605932 IG Annotated Anodyne Cc1ccc2c(c1)N=C(N1CCN(CCN3CCOC3=O)CC1)c1ccccc1/C2=C\C#N ZINC000040676491 IG Annotated Reactive CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000040762972 IG Annotated Bother CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000040762974 IG Annotated Bother CC(C)COC(=O)N1CCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000040763398 IG Annotated Clean O=C(O)c1cccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)c1 ZINC000040763435 IG Annotated Anodyne N#Cc1ccc(OC[C@H]2CN(c3ccc(N4Cc5cccnc5C4)c(F)c3)C(=O)O2)nc1 ZINC000040766705 IG Annotated Mild COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@H]3COC(C)=O)cc(OC)c1OC ZINC000040812773 IG Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)ON(C)C)c(C(=O)ON(C)C)cc3C=C[C@@H]12 ZINC000040822202 IG Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc(C(=O)ON(C)C)c(C(=O)ON(C)C)cc3C=C[C@H]12 ZINC000040822204 IG Annotated Mild CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1cccc(Cl)c1F)C2)S(C)(=O)=O ZINC000040845523 IG Annotated Anodyne CC(C)(C(=O)Nc1nnc([C@@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040845737 IG Annotated Anodyne CC(C)(C(=O)Nc1nnc([C@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000040845739 IG Annotated Anodyne COc1ccc2nc3oc(=O)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1 ZINC000040846186 IG Annotated Bother COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(=O)oc2nc2c(OC)cccc12 ZINC000040846423 IG Annotated Bother CCCCc1ccc(N2C(=O)N[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040846681 IG Annotated Mild CCCCc1ccc(N2C(=O)N[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040846683 IG Annotated Mild COc1cc(CCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc(OC)c1OC ZINC000040846795 IG Annotated Anodyne CC(C)(C)c1ccc(N2C(=O)N[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040846925 IG Annotated Mild CC(C)(C)c1ccc(N2C(=O)N[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)C2=O)cc1 ZINC000040846926 IG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnoc4)cc3)c(F)c2)C(=O)O1 ZINC000040847212 IG Annotated Anodyne O=C(c1ccc(Cl)s1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 ZINC000040847900 IG Annotated Bother COc1ccc([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1[N+](=O)[O-] ZINC000040848522 IG Annotated Bother COc1ccc([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1[N+](=O)[O-] ZINC000040848524 IG Annotated Bother COc1cc(OC)nc(NC(=S)NC(=O)[C@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859848 IG Annotated Anodyne COc1cc(OC)nc(NC(=S)NC(=O)[C@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859850 IG Annotated Anodyne COc1cc(OC)nc(NC(=S)NC(=O)[C@@H]2[C@@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859852 IG Annotated Anodyne COc1cc(OC)nc(NC(=S)NC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 ZINC000040859854 IG Annotated Anodyne COc1cc(C2=C[C@@H](c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc(OC)c1OC ZINC000040859933 IG Annotated Anodyne COc1cc(OC)c([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)c(OC)c1 ZINC000040860219 IG Annotated Anodyne Nc1nccc(-c2ccc3nc([C@H]4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1 ZINC000040860506 IG Annotated Anodyne Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1 ZINC000040860508 IG Annotated Anodyne CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@@H]2C[C@]35CCCN3C(=O)[C@]2(NC5=O)C4=O)O1 ZINC000040860913 IG Annotated Anodyne COc1ccc(OCCCO)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000040861933 IG Annotated Anodyne CN1C/C(=C\c2ccco2)C(=O)[C@]2(C1)[C@@H](c1ccco1)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000040862158 IG Annotated Mild O=[N+]([O-])c1cnc(/C=C/c2ccc(/C=N/NC(=S)NC3CCCCC3)cc2)n1CCO ZINC000040863129 IG Annotated Mild C=C(C(=O)OCC)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)CC[C@]2(C)O[C@@H]2C1 ZINC000040863694 IG Annotated Mild CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040865572 IG Annotated Anodyne COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000040866833 IG Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000040866835 IG Annotated Reactive Nc1nc(Cc2ccc(O)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040872849 IG Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@H]1c1ccc2c(c1)OCO2 ZINC000040873189 IG Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040873191 IG Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc2c(c1)OCO2 ZINC000040873193 IG Annotated Anodyne CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 ZINC000040873194 IG Annotated Anodyne O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O ZINC000040873745 IG Annotated Bother Cc1ccc2c(O)c(C(=O)NCCCNC(=O)c3ccc4nc(C)ccc4c3O)ccc2n1 ZINC000040876838 IG Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H]2O[C@]2(C)C[C@H]2C=C(C(=O)O2)[C@H](OC(C)=O)C1 ZINC000040877381 IG Annotated Mild COC(=O)CC[C@@H](Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000040877877 IG Annotated Anodyne COC(=O)CC[C@H](Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O ZINC000040877880 IG Annotated Anodyne Cc1noc(C)c1COC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)Oc1ccccc1 ZINC000040878714 IG Annotated Bother Cc1noc(C)c1COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)Oc1ccccc1 ZINC000040878718 IG Annotated Bother COc1cc2c(c3c1c(=O)c1ccccc1n3C)[C@@H](O)[C@H](OC(=O)CCl)C(C)(C)O2 ZINC000040881250 IG Annotated Reactive CCOc1cccc2c1S(=O)(=O)N/C2=C1\C(=O)[C@H](CC(C)C)N(CCC(C)(C)C)C1=O ZINC000040892149 IG Annotated Mild C[C@@H](c1cc(O)c2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1 ZINC000040894050 IG Annotated Mild COC(=O)c1c(NCC(OC)OC)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040894346 IG Annotated Anodyne COC(=O)[C@@H]1Cc2c(OC)cc(OC)c(OC)c2-c2cc3c(cc2C[C@H]1OC)OCO3 ZINC000040895831 IG Annotated Anodyne CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)c(Cl)c1)C2)S(C)(=O)=O ZINC000040896600 IG Annotated Anodyne COc1cc2c(cc1OC)[C@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C ZINC000040900417 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C ZINC000040900420 IG Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)c3c(c1)OCO3)c1cc3c(cc1N2)OCO3 ZINC000040914553 IG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)c3c(c1)OCO3)c1cc3c(cc1N2)OCO3 ZINC000040914555 IG Annotated Anodyne CCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3c(F)cccc3F)c2n1 ZINC000040915626 IG Annotated Anodyne in-vivo CN1C(=O)/C(=N\NC(=S)Nc2ccc([N+](=O)[O-])cc2)c2cc(OC(F)(F)F)ccc21 ZINC000040916999 IG Annotated Mild COc1ccc(C(=O)CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)cc1 ZINC000040917311 IG Annotated Anodyne N=C1S/C(=C\c2c[nH]nc2-c2ccc(N3CCOCC3)cc2)C(=O)N1c1nccs1 ZINC000040917864 IG Annotated Anodyne CCOC(=O)N1CCC(N(Cc2cc(Br)ccc2O)C(=O)N(C)C)CC1 ZINC000040917903 IG Annotated Clean CNC(=O)c1c(NCC2CCC3(CC2)CC3)nc(C#N)nc1OCCC1CCN(C)CC1 ZINC000040918509 IG Annotated Mild Cc1ccsc1/C=C/C(=O)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 ZINC000040918735 IG Annotated Mild CC(=O)N(C)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[nH]2)c1 ZINC000040918841 IG Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3[N+](=O)[O-])nn2)O1 ZINC000040919179 IG Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040919232 IG Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040919233 IG Annotated Mild C=C(C(=O)OCC)[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@@H](OC(C)=O)C/C=C(\C)[C@H](O)C1 ZINC000040933828 IG Annotated Mild COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000040934052 IG Annotated Anodyne CCOC(=O)c1c2c(n(-c3ccc(Br)cc3)c1N)C(=O)c1ncccc1C2=O ZINC000040934548 IG Annotated Clean C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccccc3)nn2)O1 ZINC000040934865 IG Annotated Mild CC(C)(O)/C=C/C[C@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936154 IG Annotated Mild CC(C)(O)/C=C/C[C@@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936156 IG Annotated Mild CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](C)(c4ccc(F)cc4F)O3)cc2)CC1 ZINC000040936229 IG Annotated Clean C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936728 IG Annotated Mild C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936730 IG Annotated Mild C=C(C)[C@H](O)CC[C@@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936732 IG Annotated Mild C=C(C)[C@@H](O)CC[C@@](C)(O)[C@H]1Oc2ccc(C(=O)/C=C/c3ccc(O)cc3)c(O)c2[C@@H]1O ZINC000040936733 IG Annotated Mild COC(=O)[C@@H]1C[C@@]2(Br)c3cc(Br)ccc3N3C(=N)C(C)(C)N1[C@H]32 ZINC000040937134 IG Annotated Anodyne O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@H]1CCCNC1 ZINC000040937384 IG Annotated Anodyne Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc1CC2 ZINC000040937768 IG Annotated Bother COCCN(CCOC)c1nc(C)nc2c(-c3cc(OC)c(OC)cc3Cl)c(C)nn12 ZINC000040938294 IG Annotated Anodyne O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@@H]1CCCNC1 ZINC000040938589 IG Annotated Anodyne C#CCN(C)CCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000040940386 IG Annotated Mild O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 ZINC000040943355 IG Annotated Anodyne COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccccn5)CC4)cc3[nH]c2c1 ZINC000040950172 IG Annotated Bother COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ccncc5)CC4)cc3n(C)c2c1 ZINC000040951223 IG Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000040951497 IG Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000040951499 IG Annotated Mild COc1ccc(CC(=O)N[C@@H](N/C(=N/C#N)Nc2ccccc2F)C(C)(C)C)cc1OC ZINC000040951847 IG Annotated Mild COc1ccc(CC(=O)N[C@H](N/C(=N/C#N)Nc2ccccc2F)C(C)(C)C)cc1OC ZINC000040951849 IG Annotated Mild CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2c(C(=O)N(CC)CC)nnc12 ZINC000040954883 IG Annotated Anodyne CCc1nnc2c(C(=O)N(CC)CC)c(N(CC)C(=O)c3cccnc3)c3cccnc3n12 ZINC000040956423 IG Annotated Anodyne CCOC(=O)[C@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040957125 IG Annotated Anodyne CCOC(=O)[C@@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040957128 IG Annotated Anodyne O=C1CC[C@@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040957712 IG Annotated Anodyne O=C1CC[C@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040957715 IG Annotated Anodyne Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2S(C)(=O)=O)cn1 ZINC000040972581 IG Annotated Anodyne CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1 ZINC000040972952 IG Annotated Anodyne Nc1ncnc(Nc2ccc3c(cnn3Cc3cccc(F)c3)c2)c1/C=N/N1CCOCC1 ZINC000040973370 IG Annotated Mild O=C1CC[C@](c2cccnc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040976167 IG Annotated Anodyne O=C1CC[C@@](c2cccnc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 ZINC000040976169 IG Annotated Anodyne C=C([C@@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000040976855 IG Annotated Mild C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000040976857 IG Annotated Mild C=C([C@@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000040976859 IG Annotated Mild C=C([C@H](C[C@@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000040976861 IG Annotated Mild O=[N+]([O-])c1ccc(/C=N/NC(=S)Nc2ncc(Br)cc2Br)o1 ZINC000040979209 IG Annotated Mild CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@H](C[C@H](C)O)C1 ZINC000042888903 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@H](C[C@@H](C)O)C1 ZINC000042888907 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H](C[C@H](C)O)C1 ZINC000042888911 IG Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H](C[C@@H](C)O)C1 ZINC000042888915 IG Annotated Anodyne CCCCCCOc1c(/C=N/N=C(N)N)ccc(/C=N/NC(=N)N)c1OCCCCCC ZINC000042965237 IG Annotated Mild CONC(=O)c1ccc(C)c(Nc2cc(=O)n(C)c3c2cnn3-c2ccc(F)cc2F)c1 ZINC000042990033 IG Annotated Anodyne CN(C)c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1 ZINC000043013952 IG Annotated Clean C[C@@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000043015163 IG Annotated Anodyne C[C@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000043015167 IG Annotated Anodyne CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl ZINC000043016418 IG Annotated Anodyne CCCN/C(O)=N/S(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 ZINC000043018196 IG Annotated Mild CCCc1nn(CN2CCN(C)CC2)c(=S)n1/N=C/c1c[nH]nc1-c1ccc(C)cc1 ZINC000043059587 IG Annotated Mild CCc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12 ZINC000043061180 IG Annotated Anodyne CSC1=CC(=O)C(Br)=C[C@]12C=CNC1=C2C2=NCCc3cn(C)c(c32)C1=O ZINC000043064896 IG Annotated Mild COc1cc2c(=O)n(CCNC3CC3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000043064981 IG Annotated Bother CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 ZINC000043068157 IG Annotated Anodyne C[C@H](Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 ZINC000043069058 IG Annotated Anodyne C[C@@H](Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 ZINC000043069062 IG Annotated Anodyne COCCCn1c(CN2C(=O)/C(=N/OCCCN(C)C)c3ccccc32)nc2ccccc21 ZINC000043070827 IG Annotated Mild Cn1c2c(c(=O)[nH]c1=O)[C@H](c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000043074251 IG Annotated Mild Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cc(F)cc(C(F)(F)F)c1)C1=C(N2)c2ccccc2C1=O ZINC000043074254 IG Annotated Mild COC(=O)c1c(O)cccc1O[C@H](CO)CCc1cc(-c2cc(C(=O)O)no2)ccc1F ZINC000043075105 IG Annotated Anodyne COC(=O)c1c(O)cccc1O[C@@H](CO)CCc1cc(-c2cc(C(=O)O)no2)ccc1F ZINC000043075108 IG Annotated Anodyne O=C(C[C@H]1NCC[C@@H]1OCc1ccccc1)Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000043076455 IG Annotated Anodyne CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl ZINC000043080303 IG Annotated Anodyne O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000043080439 IG Annotated Anodyne C[C@@H](COc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 ZINC000043119373 IG Annotated Anodyne C[C@H](COc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 ZINC000043119378 IG Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(O)cc(OC)c3)cc21 ZINC000043119919 IG Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(O)cc(OC)c3)cc21 ZINC000043119920 IG Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(SCCCO[N+](=O)[O-])cc1 ZINC000043120088 IG Annotated Anodyne O=C1/C(=N/OCC(F)(F)F)c2cccnc2N1Cc1nc2ccccc2n1CCCCO ZINC000043120488 IG Annotated Mild O=C1OCC/C=C/CC/C=C/C(=N/OCC(=O)N2CCCCC2)Cc2cc(O)cc(O)c21 ZINC000043121571 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OC(=O)CC#N)c2ccc(Cl)cc2)cc1OC ZINC000043121953 IG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OC(=O)CC#N)c2ccc(Cl)cc2)cc1OC ZINC000043121957 IG Annotated Mild OCCN1CCN(CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@H]32)CC1 ZINC000043123239 IG Annotated Anodyne OCCN1CCN(CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 ZINC000043123241 IG Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000043131741 IG Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 ZINC000043173783 IG Annotated Anodyne O=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21 ZINC000043196744 IG Annotated Anodyne CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccccc2Br)CC1 ZINC000043196745 IG Annotated Anodyne Cc1cnc(Nc2cc(N3CCN(C)CC3)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1 ZINC000043200596 IG Annotated Anodyne C[C@H](Nc1nc(Nc2ncc(C#N)s2)cc(N2CCOCC2)n1)c1ccc(F)cn1 ZINC000043200598 IG Annotated Mild CCn1c(C(=O)c2cc(C)cc(C#N)c2)c(C(C)C)c(=O)n(COC(=O)OC(C)C)c1=O ZINC000043202170 IG Annotated Mild CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000043203229 IG Annotated Anodyne NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1 ZINC000043203439 IG Annotated Bother C[C@@H]1CC(C)(C)N[C@@H](CCO[P@](=O)(N(CCCl)CCCl)N2CCOCC2)O1 ZINC000043211868 IG Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@]13OO2 ZINC000043328131 IG Annotated Reactive CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOC(=O)CNC(=O)OC(C)(C)C)[C@@]13OO2 ZINC000043328132 IG Annotated Reactive COc1cc([C@@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN=[N+]=[N-])cc(OC)c1OC ZINC000043382138 IG Annotated Clean COc1cc([C@H]2OC(c3ccc(N(C)C)cc3)=NN2C(=O)CN=[N+]=[N-])cc(OC)c1OC ZINC000043382139 IG Annotated Clean CN(C)C(=N)N/N=C/c1c2ccccc2c(/C=N/N=C(\N)N(C)C)c2cc(Cl)ccc12 ZINC000043397053 IG Annotated Mild CSC1=CC(=O)C(Br)=C[C@]12C=CNC1=C2C2=NCCc3c[nH]c(c32)C1=O ZINC000043524002 IG Annotated Mild CCCCCCCCN(CCCCCCCC)S[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O ZINC000043574591 IG Annotated Mild C[C@@H](/C(O)=N/S(=O)(=O)c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000043587292 IG Annotated Unstable CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000043727030 IG Annotated Anodyne O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 ZINC000044387176 IG Annotated Reactive O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 ZINC000044387178 IG Annotated Reactive O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 ZINC000044387181 IG Annotated Reactive O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 ZINC000044387184 IG Annotated Reactive CC(=O)OC[C@@H](C)C1=C(OC(C)=O)C(=O)C2=C(C(=O)C(O)=C3C(C)(C)CCC[C@]23C)C1=O ZINC000044404397 IG Annotated Mild in-vitro biogenic CC(C)C[C@@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1[C@H]3[C@H](CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1[C@@H](O)[C@@H]3O ZINC000044430510 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004547102 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 ZINC000004547333 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 ZINC000004547339 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 ZINC000004547345 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 ZINC000004547356 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004547473 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004547506 IG Annotated Anodyne O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@@]1(O)Cc1ccc(O)cc1 ZINC000004650687 IG Annotated Anodyne in-vivo CC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O ZINC000004654440 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760702 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760705 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccnc1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004760708 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccnc1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004760710 IG Annotated Anodyne O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004790286 IG Annotated Anodyne O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccc(Cl)cc1 ZINC000004790293 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000004799094 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@@H]1CCCO1)[C@H](c1ccccc1F)N(C)C2=O ZINC000004799098 IG Annotated Anodyne COc1cccc(COC[C@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 ZINC000045189133 IG Annotated Anodyne COc1cccc(COC[C@@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 ZINC000045189136 IG Annotated Anodyne COc1ccc2nccc(N3CCC(CCNCc4cc5c(cn4)OCCO5)CC3)c2n1 ZINC000045195216 IG Annotated Anodyne COc1ccc(C[C@@]2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1 ZINC000045201775 IG Annotated Anodyne COc1ccc(C[C@]2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1 ZINC000045201777 IG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCC2)s1 ZINC000045202458 IG Annotated Anodyne Cc1cnc(N2CCN(CC3CCN(C)CC3)CC2)nc1Oc1ccc(-n2ccnc2)cc1 ZINC000045202968 IG Annotated Anodyne Cn1nc(-c2ccc(OC(F)(F)F)cc2)cc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000045245008 IG Annotated Bother C[C@H](c1ccc2ccccc2c1)N(C)c1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 ZINC000045245151 IG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(OC(F)(F)F)cc3)no1)C2 ZINC000045245368 IG Annotated Bother C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 ZINC000045245420 IG Annotated Anodyne C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000045245772 IG Annotated Anodyne C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)C12CC3CC(CC(C3)C1)C2 ZINC000045245773 IG Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCF)c(=O)c3)cc2n1 ZINC000045253032 IG Annotated Anodyne Cc1cc(C)cc(Oc2c(COCCO)c(C)[nH]c(=O)c2I)c1 ZINC000045253045 IG Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([C@@H](C)OC(=O)CCc2ccccc2)C(=O)N1C(=O)CCc1ccccc1 ZINC000045253677 IG Annotated Anodyne NC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 ZINC000045255831 IG Annotated Anodyne C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc2CN1 ZINC000045257022 IG Annotated Anodyne C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc2CN1 ZINC000045257025 IG Annotated Anodyne C[C@H]1NCCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc21 ZINC000045257029 IG Annotated Anodyne C[C@H]1NCCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc21 ZINC000045257032 IG Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CS(C)(=O)=O)CC3=O ZINC000045257298 IG Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CS(C)(=O)=O)CC3=O ZINC000045257303 IG Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N4CCCC4)nc3)cc2n1 ZINC000045257674 IG Annotated Anodyne N#C[C@@H](Br)C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000045258375 IG Annotated Reactive N#C[C@@H](Br)C(=O)N1N=C(O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000045258379 IG Annotated Reactive N#C[C@@H](Br)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000045258384 IG Annotated Reactive N#C[C@@H](Br)C(=O)N1N=C(O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000045258387 IG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OCCCO)cc3)c1)C2 ZINC000045258733 IG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3OCCCO)cc1)C2 ZINC000045258879 IG Annotated Bother Cc1c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1 ZINC000045261365 IG Annotated Anodyne Cc1c(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1 ZINC000045261368 IG Annotated Anodyne O=C(O)CCCCCCCCCCC(=O)OC[C@H]1CC[C@@H](n2cnc3c(=O)[nH]cnc32)O1 ZINC000045283769 IG Annotated Anodyne COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O ZINC000045284455 IG Annotated Mild Cc1cc(C)cc(Sc2c(CNC=O)c(C)[nH]c(=O)c2I)c1 ZINC000045284481 IG Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2c[n+]([O-])ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045284585 IG Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2c[n+]([O-])ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045284587 IG Annotated Anodyne CC1(C)C[C@@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 ZINC000045285000 IG Annotated Anodyne CC1(C)C[C@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 ZINC000045285002 IG Annotated Anodyne CN(C)CCOc1cccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1 ZINC000045285406 IG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OCCCO)cc3)cc1)C2 ZINC000045287176 IG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(OCCCO)c3)cc1)C2 ZINC000045287290 IG Annotated Bother Nc1ncc(-c2ccc(C(=O)NC[C@@H]3CCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045287888 IG Annotated Anodyne Nc1ncc(-c2ccc(C(=O)NC[C@H]3CCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045287890 IG Annotated Anodyne Nc1ncc(-c2ccc(C(=O)NC[C@@H]3CCCN3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045289044 IG Annotated Anodyne Nc1ncc(-c2ccc(C(=O)NC[C@H]3CCCN3)cc2)nc1Oc1ccc2cc[nH]c2c1 ZINC000045289049 IG Annotated Anodyne CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 ZINC000045291580 IG Annotated Anodyne C[C@@H]1NCCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc21 ZINC000045298595 IG Annotated Anodyne C[C@@H]1NCCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc21 ZINC000045298597 IG Annotated Anodyne COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O ZINC000045298959 IG Annotated Mild C[C@@H]1NCCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc21 ZINC000045300680 IG Annotated Anodyne C[C@@H]1NCCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc21 ZINC000045300682 IG Annotated Anodyne COc1c(-c2cc3n(c2)C[C@H](C)N[C@@H]3C)c(F)cc2c1N(C1CC1)C[C@H](C(=O)O)C2=O ZINC000045300966 IG Annotated Anodyne COc1c(-c2cc3n(c2)C[C@H](C)N[C@@H]3C)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O ZINC000045300968 IG Annotated Anodyne CCCn1ccc(-c2cc(-c3ncc(C)cn3)n3cc(NC(=O)NCC)nc3c2)cc1=O ZINC000045300972 IG Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cncn3)c(C)[nH]c(=O)c2I)c1 ZINC000045301709 IG Annotated Anodyne COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCC2)cc1 ZINC000045302263 IG Annotated Anodyne COc1cc(N(C(C)=O)[C@@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1 ZINC000045316755 IG Annotated Anodyne COc1cc(N(C(C)=O)[C@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1 ZINC000045316759 IG Annotated Anodyne CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OCc3cc[nH]n3)cn2)o1)C1CCCCC1 ZINC000045319059 IG Annotated Anodyne CC1(C)N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)N=C(N)N1OCc1ccc2ccccc2c1 ZINC000045320597 IG Annotated Bother COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1 ZINC000045320720 IG Annotated Anodyne Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(OC(F)(F)F)cc1 ZINC000045320975 IG Annotated Bother Cn1nc(C(=O)N2CCC(c3[nH]ncc3Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000045334670 IG Annotated Anodyne COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c2[nH]c3ccccc3c2c1C ZINC000045335738 IG Annotated Mild COCCc1sc(S(=O)(=O)/N=C(\O)Nc2ncc(Br)s2)cc1C ZINC000045336014 IG Annotated Mild Cc1cc(S(=O)(=O)/N=C(\O)Nc2nc(C)c(C(F)(F)F)s2)sc1CCO ZINC000045336087 IG Annotated Mild CN1C(=O)/C(=C/c2cc3ccccc3n2CC(=O)O)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000045339589 IG Annotated Clean CC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000045340247 IG Annotated Anodyne COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(CN)cc2)oc1C ZINC000045347544 IG Annotated Anodyne COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000045349485 IG Annotated Mild COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@@H](C)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000045349488 IG Annotated Mild COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000045349491 IG Annotated Mild COc1ccc([C@@H]2C/C(=N\N3C(=O)CNC3=S)[C@@H](C)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000045349494 IG Annotated Mild O=C(NCC/N=C/c1cc(Br)cc(Br)c1O)c1ccccc1O ZINC000045350823 IG Annotated Mild NC1=CC(=O)c2ccc(-c3nc(C(=O)N4CCCC4)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000045355738 IG Annotated Mild C/C=C1\[C@H]2C=C(C)C[C@]1(/N=C/c1ccccc1OS(=O)(=O)O)c1ccc(=O)[nH]c1C2 ZINC000045358445 IG Annotated Mild COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCN(C)CC1)OCO2 ZINC000045364120 IG Annotated Anodyne CC(=O)Nc1ccc(/C=N/NC(=O)c2nc(-c3ccc(Br)cc3)no2)cc1 ZINC000045367398 IG Annotated Reactive CC(=O)OCCN1C(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C1=O)OCO4 ZINC000045373042 IG Annotated Anodyne C#CCNC(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C[C@@H]1O2 ZINC000045374358 IG Annotated Mild COc1cccc([C@@]2(O)c3ccccc3Oc3cc(C(=O)N4CCN(C)CC4)ccc32)c1 ZINC000045385886 IG Annotated Anodyne COc1cccc([C@]2(O)c3ccccc3Oc3cc(C(=O)N4CCN(C)CC4)ccc32)c1 ZINC000045385889 IG Annotated Anodyne NC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 ZINC000045385899 IG Annotated Anodyne Cc1c(C(=O)N2CC[C@]3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2 ZINC000045387932 IG Annotated Anodyne Cc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2 ZINC000045387935 IG Annotated Anodyne CCCc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)CN1CCN(c2ncccn2)CC1 ZINC000045392135 IG Annotated Anodyne CCCc1nc(-c2ccccc2)oc1C(=O)N[C@H](C)CN1CCN(c2ncccn2)CC1 ZINC000045392138 IG Annotated Anodyne COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 ZINC000045393561 IG Annotated Anodyne O=C(NCCCC/N=C/c1cc(I)ccc1O)c1ccccc1O ZINC000045394372 IG Annotated Mild Cc1cc2ncc(C(=O)N3CCC([C@H](N)Cc4cc(F)c(F)cc4F)CC3)c(C)n2n1 ZINC000045484305 IG Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@@](C)(O)COC(C)=O)O2 ZINC000045495008 IG Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)C[C@H]([C@](C)(O)COC(C)=O)O2 ZINC000045495010 IG Annotated Bother C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000045495146 IG Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 ZINC000045495148 IG Annotated Anodyne O=C(O)c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)c1 ZINC000045495802 IG Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)cc(OC)c1OC ZINC000045496099 IG Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)cc(OC)c1OC ZINC000045496101 IG Annotated Anodyne O=C(Cc1ccc(O)cc1)N/N=C/c1cc(Br)c(O)c(Br)c1O ZINC000045498816 IG Annotated Reactive Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1Cc1ccccc1 ZINC000473081261 IG Annotated Anodyne CC(C)[C@]1(n2cc(-c3ccc4c(c3)OCCO4)nn2)Oc2cc3oc(=O)ccc3cc2C1=O ZINC000473082818 IG Annotated Anodyne CC(C)[C@@]1(n2cc(-c3ccc4c(c3)OCCO4)nn2)Oc2cc3oc(=O)ccc3cc2C1=O ZINC000473082819 IG Annotated Anodyne COC(=O)CCC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@H]1C(C)C ZINC000473083670 IG Annotated Mild COC(=O)CCC1=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C(O)C(=O)[C@@H]1C(C)C ZINC000473083671 IG Annotated Mild CN=c1nc(NCCN2CCNCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 ZINC000473083973 IG Annotated Anodyne O=C(O)CCN(Cc1ccc(Br)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473084269 IG Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(F)cc2[C@@]12Cn1nncc1CO2 ZINC000473084309 IG Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(F)cc2[C@]12Cn1nncc1CO2 ZINC000473084311 IG Annotated Anodyne CC(C)[C@@]1(n2cc(-c3cc([N+](=O)[O-])ccc3O)nn2)Oc2cc3oc(=O)ccc3cc2C1=O ZINC000473084322 IG Annotated Bother CC(C)[C@]1(n2cc(-c3cc([N+](=O)[O-])ccc3O)nn2)Oc2cc3oc(=O)ccc3cc2C1=O ZINC000473086019 IG Annotated Bother C=CC(=O)Nc1cccc([C@H](C)N=c2[nH]c(Nc3cnn(CCOC)c3)ncc2Cl)c1 ZINC000473086389 IG Annotated Anodyne C=CC(=O)Nc1cccc([C@@H](C)N=c2[nH]c(Nc3cnn(CCOC)c3)ncc2Cl)c1 ZINC000473086391 IG Annotated Anodyne O=C(c1ccccc1-c1ncccn1)N1[C@H]2CC[C@H]1[C@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473086904 IG Annotated Anodyne O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)Cc1ccccc1OC(F)(F)F ZINC000473087450 IG Annotated Anodyne COc1ccc(CN(C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)C(C)C)cc1 ZINC000473087962 IG Annotated Anodyne CN(Cc1cccc(C(F)(F)F)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473088062 IG Annotated Anodyne CN(Cc1ccc(C(F)(F)F)cc1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473088684 IG Annotated Anodyne O=C(O)CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473089063 IG Annotated Anodyne Cc1cc2c(-c3cccnc3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2nc1O ZINC000473090873 IG Annotated Anodyne CN(Cc1ccccc1C(F)(F)F)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000473093143 IG Annotated Anodyne O=c1cc(-c2ccc3[nH]c(=NCC4CCS(=O)(=O)CC4)sc3c2)ccn1CC1CC1 ZINC000473095012 IG Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1 ZINC000473096134 IG Annotated Mild CCN1C(=S)N2CCC[C@H]2c2c1nc(-c1cccc(O)c1)c(C#N)c2N1CCOCC1 ZINC000473096135 IG Annotated Mild C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CC(F)F)c3)ncc2Cl)c1 ZINC000473097917 IG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@](C)(O)C1=O ZINC000473101889 IG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@@](C)(O)C1=O ZINC000473101890 IG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@@](C)(O)C1=O ZINC000473101893 IG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@](C)(O)C1=O ZINC000473101896 IG Annotated Anodyne O=C(NC[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473102972 IG Annotated Bother O=C(NC[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cc([N+](=O)[O-])c2cccnc2c1O ZINC000473102973 IG Annotated Bother CCn1cc(-c2nn(-c3nc4ccccc4[nH]c3=O)c(=S)o2)c(=O)c2ccc(C)nc21 ZINC000473104013 IG Annotated Anodyne C=CC(=O)Nc1cccc(CN=c2[nH]c(=NCCCCN(CC)CC)[nH]cc2Cl)c1 ZINC000473104044 IG Annotated Anodyne C[C@@H](C(=O)N[C@H]1CC=C[C@H](c2ccccc2)N(C)C1=O)N(C)C(=O)OCc1ccccc1 ZINC000473105464 IG Annotated Anodyne CN1C(=O)[C@@H](NC(=O)C(C)(C)NC(=O)OCc2ccccc2)CC=C[C@@H]1c1ccccc1 ZINC000473106893 IG Annotated Anodyne C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCOCC)c3)ncc2Cl)c1 ZINC000473108003 IG Annotated Anodyne C=C(C)C(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCOC)c3)ncc2Cl)c1 ZINC000473109188 IG Annotated Mild COc1cccc(-c2ccc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c23)c1 ZINC000473114587 IG Annotated Anodyne O=C1Nc2c(Br)cc([N+](=O)[O-])cc2C1=NNC(=S)Nc1ccc(F)cc1 ZINC000473115838 IG Annotated Mild COc1nc(O)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)n1 ZINC000473117762 IG Annotated Anodyne COc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)cc1 ZINC000473119249 IG Annotated Anodyne CN1CCCN(c2nc3ccsc3c(=NC3CCN(Cc4ccccc4)CC3)[nH]2)CC1 ZINC000473123103 IG Annotated Anodyne COc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1 ZINC000473123201 IG Annotated Anodyne CC(C)=C[C@H](C)C[C@H](C)/C=C(\C)C(=O)NC1=C[C@](O)(CCCCC(=O)O)[C@@H](O)CC1=O ZINC000473123580 IG Annotated Mild COc1ccccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12 ZINC000473124814 IG Annotated Anodyne CC(=O)Cc1cc(O)c2c(c1)CCc1c-2cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000473125074 IG Annotated Clean COC[C@H](C)Oc1cc(C#Cc2ccc3[nH]ccc3c2)cc(C(=O)N=c2ccn(C)[nH]2)c1 ZINC000473125720 IG Annotated Mild O=C(C#Cc1ccccc1)N/C=C/C[C@H]1C[C@@H](O)CC/C=C/Cc2cccc(O)c2C(=O)N1 ZINC000473126547 IG Annotated Mild C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]1C3 ZINC000473127284 IG Annotated Mild CCn1cc(C(=O)O)c(=O)c2ccc(N=c3ccnc(Nc4ccc(C#N)cc4)[nH]3)cc21 ZINC000473130928 IG Annotated Mild O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccc(O)cc2O)o1 ZINC000473133079 IG Annotated Anodyne Cc1[nH]nc2ncc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccnc4)c3F)cc12 ZINC000473133096 IG Annotated Mild O=c1c2c[nH]nc2c2ncc(-c3ccccc3N3CCOCC3)cc2n1CC(F)(F)F ZINC000473133102 IG Annotated Clean C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](O)C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1C3 ZINC000473133156 IG Annotated Anodyne NC(=O)Cc1ccc(NC(=O)Cn2c3c(c4cc(Cl)ccc42)CC[C@@H](C(=O)O)C3)cc1 ZINC000473133996 IG Annotated Anodyne CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)nn3C)nc21 ZINC000473134045 IG Annotated Anodyne Cc1cc(C#N)cnc1N1CCC2(CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)C1 ZINC000473134416 IG Annotated Mild Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)ncc1C#N ZINC000473134447 IG Annotated Mild Cc1cn([C@H]2C[C@H](n3nncc3C3CC3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473134759 IG Annotated Reactive COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(C(C)C)cn4)sc3C2)c1 ZINC000473134809 IG Annotated Anodyne Cc1nc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)ccc1C#N ZINC000473134813 IG Annotated Mild Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 ZINC000473135117 IG Annotated Anodyne CNC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@H]1c1ccc(N(C)C)cc1 ZINC000473135161 IG Annotated Clean CNC(=O)C1=C(C)N=C2N=C(SCc3ccccc3)NN2[C@@H]1c1ccc(N(C)C)cc1 ZINC000473135163 IG Annotated Clean CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C)cc3)=NC2=N1 ZINC000473135379 IG Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccc(C)cc3)=NC2=N1 ZINC000473135380 IG Annotated Clean CCOP(=O)(OCC)[C@@H]1C[C@H](CN2C(=O)c3cccc4cc(N)cc(c34)C2=O)ON1C ZINC000473135437 IG Annotated Anodyne CCOP(=O)(OCC)[C@@H]1C[C@@H](CN2C(=O)c3cccc4cc(N)cc(c34)C2=O)ON1C ZINC000473135439 IG Annotated Anodyne Cc1cc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)cnc1C#N ZINC000473136537 IG Annotated Mild CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@@H](N)CC2)S(=O)(=O)CC1CC1 ZINC000473145353 IG Annotated Anodyne NC1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1 ZINC000473145944 IG Annotated Anodyne CCO[C@H]1OC[C@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473146753 IG Annotated Anodyne CCO[C@@H]1OC[C@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 ZINC000473146754 IG Annotated Anodyne C[C@@H]1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1 ZINC000473146761 IG Annotated Anodyne C[C@H]1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1 ZINC000473146762 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000473148702 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(Br)cc12 ZINC000473148703 IG Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(OC(F)(F)F)cc1 ZINC000473149181 IG Annotated Anodyne C[C@@H]1CC[C@H]2[C@]3(C[C@@H]4c5ccccc5CCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473150946 IG Annotated Reactive C[C@@H]1CC[C@H]2[C@]3(C[C@H]4c5ccccc5CCN4O3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000473150948 IG Annotated Reactive CN1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1 ZINC000473150991 IG Annotated Anodyne CCCOc1cc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)ccc1[N+](=O)[O-] ZINC000473151284 IG Annotated Bother CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473151857 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000473151858 IG Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)NCCc2ccccc2)c2cc(C(=O)O)ccc21 ZINC000473152698 IG Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@H](OC)OC5)[C@@H](C)C1=CC(=O)O2 ZINC000473152857 IG Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@@H](OC)OC5)[C@@H](C)C1=CC(=O)O2 ZINC000473152858 IG Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccnc(F)c3)cc2)C1=O ZINC000473153127 IG Annotated Anodyne CCCc1cnc(N)c(C/N=C(/NC(=O)c2ccccc2)Nc2ccc3nc(O)oc3c2)n1 ZINC000473156982 IG Annotated Mild C#CCOc1ccc(C(=O)Nc2cc(F)c(Cl)c([C@]3(CF)NC(=N)O[C@H]4C[C@H]43)c2)nc1 ZINC000473159041 IG Annotated Mild COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(OC2CCOCC2)cc1 ZINC000473160631 IG Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)c1ccc(CCO)cc1 ZINC000473164994 IG Annotated Anodyne NCCNc1ccc(C(=O)Nc2sc(=Nc3ccc4ccccc4c3)[nH]c2C(N)=O)cc1 ZINC000473165004 IG Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cnc(C#N)nc3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473165183 IG Annotated Mild CC(C)N1C(=O)CN(C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)Cc2ccccc21 ZINC000473166880 IG Annotated Anodyne COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(-n2nc(C)cc2C)cc1 ZINC000473167101 IG Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C2[C@@]23C(=O)O[C@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473168117 IG Annotated Anodyne CC1(C)C[C@@H]2OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C2[C@@]23C(=O)O[C@@H]4OCC(=CC[C@@H]12)[C@H]43 ZINC000473168118 IG Annotated Anodyne Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(C(=O)NCCN(C)C)cc3)c2n1 ZINC000473169984 IG Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc4ccccc4[nH]2)C3)n1 ZINC000473170611 IG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1 ZINC000473170659 IG Annotated Anodyne CN(C)CCNc1nccn2c(I)c(-c3ccc(F)cc3)nc12 ZINC000473170704 IG Annotated Anodyne Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)n1 ZINC000473170850 IG Annotated Anodyne CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(C2CC2)o1 ZINC000473170928 IG Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)C2CC2)S3)cc(OC)c1OC ZINC000473171641 IG Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)C2CC2)S3)cc(OC)c1OC ZINC000473171642 IG Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)C2CC2)S3)cc(OC)c1OC ZINC000473171643 IG Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)C2CC2)S3)cc(OC)c1OC ZINC000473171644 IG Annotated Anodyne Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)F)n1 ZINC000473171796 IG Annotated Anodyne NC(=O)c1[nH]c(=Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCCn1ccnc1 ZINC000473179083 IG Annotated Mild COc1nc(-c2cccc(C(C)(C)O)c2)nc(=NCCc2ccc(OC(F)F)cc2)[nH]1 ZINC000473179364 IG Annotated Anodyne Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1 ZINC000473179377 IG Annotated Anodyne O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000473179532 IG Annotated Anodyne C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2CC(F)(F)C2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473197656 IG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CC(F)(F)C2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473197670 IG Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2CC(F)(F)C2)C3=O)C[C@@H](C)[C@@H]1O ZINC000473197674 IG Annotated Mild CC[C@@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1O ZINC000473197714 IG Annotated Mild CC[C@@H]1C[C@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1O ZINC000473197727 IG Annotated Mild CC[C@@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H](C)[C@H]1O ZINC000473197732 IG Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H]1C ZINC000473198006 IG Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H]1C ZINC000473198007 IG Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)F)C3=O)C[C@H]1C ZINC000473198008 IG Annotated Mild CC[C@H]1C[C@@]2(CC[C@@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(C[C@H]2CCCO2)C1=O ZINC000473198136 IG Annotated Mild CC[C@H]1C[C@]2(CC[C@@H]1OC)Cc1ccc(C#N)cc1[C@]21NC(=N)N(C[C@H]2CCCO2)C1=O ZINC000473198139 IG Annotated Mild CC[C@H]1C[C@]2(CC[C@@H]1OC)Cc1ccc(C#N)cc1[C@@]21NC(=N)N(C[C@H]2CCCO2)C1=O ZINC000473198142 IG Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)Cl)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198613 IG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC(C)(C)Cl)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198616 IG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC(C)(C)Cl)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198620 IG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CCC(F)(F)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198641 IG Annotated Mild C[C@H]1C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCC(F)(F)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198644 IG Annotated Mild C[C@H]1C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CCC(F)(F)F)C3=O)C[C@@H](C)[C@@H]1O ZINC000473198647 IG Annotated Mild C[C@H]1C[C@@H](C)C[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1 ZINC000473210250 IG Annotated Anodyne COc1cnc2c(Nc3ccc(F)c([C@@]4(CF)NC(=N)O[C@@H]5C[C@@H]54)c3F)nccc2n1 ZINC000473213276 IG Annotated Anodyne N#Cc1cnc2c(c1)OCC[C@@H]2Nc1ccc(F)c([C@@]2(C(F)F)NC(=N)O[C@@H]3C[C@@H]32)c1 ZINC000473213452 IG Annotated Mild Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CC[C@@H](O)CC3)cc2F)cn1 ZINC000473224143 IG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CC[C@H](N)CC3)cc2F)cn1 ZINC000473224145 IG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](CCOCO)C(=O)O)C2=O)cc1 ZINC000473240741 IG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](CCOCO)C(=O)O)C2=O)cc1 ZINC000473240744 IG Annotated Anodyne C[C@@H]1[C@H]2c3cc(N4CCN(C)CC4)ccc3C[C@@H](c3ccc(N4CCN(C)CC4)cc32)N1C ZINC000473243948 IG Annotated Clean CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(F)cc1)CC(=O)C[C@@H]2c1ccc(F)cc1 ZINC000473247912 IG Annotated Anodyne CCOC(=O)Cn1cc(COCc2c(-c3ccc(Cl)cc3)nc3sc(C)nn23)nn1 ZINC000473248551 IG Annotated Anodyne CCCCc1cc(=O)n2[nH]c(=NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473248978 IG Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)CN3CCCCC3)[C@H]12 ZINC000473249938 IG Annotated Mild CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(=Nc2cc([C@@H]3CCC(=O)C3)[nH]n2)[nH]1 ZINC000474605830 IG Annotated Anodyne CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(=Nc2cc([C@H]3CCC(=O)C3)[nH]n2)[nH]1 ZINC000474605831 IG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 ZINC000474607093 IG Annotated Anodyne CN(C)CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc(C#N)cc1)[C@@H]23 ZINC000474607137 IG Annotated Mild COC[C@H](C)c1cc(N=c2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)[nH]2)n[nH]1 ZINC000474609675 IG Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)C1=O ZINC000049031561 IG Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)C1=O ZINC000049031564 IG Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)C1=O ZINC000049031566 IG Annotated Anodyne CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)C1=O ZINC000049031569 IG Annotated Anodyne c1ccc(OC2COc3ccccc3CNCCNCCNCc3ccccc3OC2)cc1 ZINC000049031949 IG Annotated Anodyne O=C(Nn1c(-c2cccc([N+](=O)[O-])c2)nc2c(-c3ccco3)n[nH]c2c1=O)c1ccccc1 ZINC000049033436 IG Annotated Bother C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033464 IG Annotated Anodyne C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033466 IG Annotated Anodyne C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033468 IG Annotated Anodyne C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000049033470 IG Annotated Anodyne C=C1C[C@@H](OC(C)=O)/C=C(\COC(C)=O)CC[C@@H]2/C(=C\[C@H](O)C=C(C)C)C(=O)OC[C@@H]12 ZINC000049034272 IG Annotated Mild CO/N=C1\CCSC2=C1CN(c1cc3c(cc1N)c(=O)c(C(=O)O)cn3C1CC1)CC2 ZINC000049035866 IG Annotated Mild CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2C1 ZINC000049036177 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2C1 ZINC000049036179 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)C(=O)CCS4)c(N)cc2C1 ZINC000049036609 IG Annotated Mild Cc1nnsc1C(=O)N/C(C(=O)N1CCCCC1)=C(\Br)c1ccccc1 ZINC000049049127 IG Annotated Anodyne O=C1CCc2ccc(CC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1 ZINC000049050886 IG Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1N1CCC2=C(C1)/C(=N/O)CCS2 ZINC000049053587 IG Annotated Mild COc1ccc(COc2ncc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049054956 IG Annotated Anodyne COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049054959 IG Annotated Anodyne C[C@@H]1CSC2=C(CN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C3CC3)CC2)C1=O ZINC000049055191 IG Annotated Mild C[C@H]1CSC2=C(CN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C3CC3)CC2)C1=O ZINC000049055195 IG Annotated Mild CC(C)(C)CCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049055680 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23CC[C@@H](C[C@H]21)[C@](C)(O)C3 ZINC000049055779 IG Annotated Mild in-vitro O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)nc1 ZINC000049066816 IG Annotated Anodyne CC(=O)O[C@@H](O/C(C)=N/NC(=O)c1cc(/C=C\c2ccco2)on1)c1ccc([N+](=O)[O-])o1 ZINC000049067149 IG Annotated Reactive CC(=O)O[C@H](O/C(C)=N/NC(=O)c1cc(/C=C\c2ccco2)on1)c1ccc([N+](=O)[O-])o1 ZINC000049067151 IG Annotated Reactive CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O ZINC000049067305 IG Annotated Anodyne Cc1nnsc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCCCC1 ZINC000049068441 IG Annotated Anodyne Cc1ccc(C(=O)NC[C@@H](C)/N=C/c2cc(I)ccc2O)c(O)c1 ZINC000049069100 IG Annotated Mild Cc1ccc(C(=O)NC[C@H](C)/N=C/c2cc(I)ccc2O)c(O)c1 ZINC000049069102 IG Annotated Mild O=c1ccn(CCOc2ccc(Nc3ncc(Cc4c(F)cccc4F)o3)cc2)c(=O)[nH]1 ZINC000049070622 IG Annotated Anodyne CNC(=O)C1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 ZINC000049071057 IG Annotated Anodyne CN(C)C(=O)C1CCN(c2ccnc3c2c(/C=C2\Oc4cccc(O)c4C2=O)cn3C)CC1 ZINC000049071132 IG Annotated Mild CC(C)CCN(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049071502 IG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 ZINC000049072757 IG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(C)cc32)[C@H]2CCCN21 ZINC000049072759 IG Annotated Anodyne CCCCN(CC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049072784 IG Annotated Anodyne CCCN(CCC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049087727 IG Annotated Anodyne CCCN(CC1CC1)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049087730 IG Annotated Anodyne CCOC(=O)CCn1nc(-c2ccccc2)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049088207 IG Annotated Bother CC(C)c1ccc(CN2CCN(Cc3cc(C(C)C)ccc(O)c3=O)CC2)c(=O)c(O)c1 ZINC000049088927 IG Annotated Anodyne CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21 ZINC000049088940 IG Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)NCC[S@](C)=O)cc3c(nc(C)n3C)c2O1 ZINC000049089041 IG Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)NCC[S@@](C)=O)cc3c(nc(C)n3C)c2O1 ZINC000049089042 IG Annotated Anodyne N[C@H](CNc1ncc(-c2ccc3nnn(N)c3c2)s1)Cc1ccc(C(F)(F)F)cc1 ZINC000049089232 IG Annotated Anodyne N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1/C=C/c1ccccc1 ZINC000049111949 IG Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1/C=C/c1ccccc1 ZINC000049111951 IG Annotated Reactive COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 ZINC000049112169 IG Annotated Anodyne COC(=O)n1[nH]c(=O)c(-c2ccc(OC)c(OC)c2)c1-c1cc(OC)c(OC)cc1OC ZINC000049113308 IG Annotated Anodyne O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1 ZINC000049114624 IG Annotated Anodyne NC(=O)C1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000049695496 IG Annotated Reactive Cc1c(N2CCC3=C(C2)/C(=N/O)CCS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049775586 IG Annotated Mild Cc1c(N2CCC3=C(C2)C(=O)[C@H](C)CS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049775776 IG Annotated Mild Cc1c(N2CCC3=C(C2)C(=O)[C@@H](C)CS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049775777 IG Annotated Mild Cc1c(N2CCC3=C(C2)C(=O)CCS3)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000049777003 IG Annotated Mild COc1cc(C2(c3cc(OC)c(N)cc3OC)C(=O)Nc3ccccc32)c(OC)cc1N ZINC000049784785 IG Annotated Anodyne N#Cc1c(NNC(N)=S)nc(SCc2nc3ccccc3[nH]2)nc1-c1ccccc1 ZINC000049803191 IG Annotated Mild Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccc(Cl)cc3)c(=O)c12 ZINC000049803253 IG Annotated Reactive COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(OCCCN(C)C)cn3)C[C@H]1C=N2 ZINC000049803737 IG Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3cccc(Cl)c3)c(=O)c12 ZINC000049807688 IG Annotated Reactive CNC(=O)c1ccc2c(CNCCCCO)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 ZINC000049808012 IG Annotated Anodyne Cn1nccc1CNC(=O)c1ccc2c(CO)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 ZINC000049808075 IG Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(N4CCN(C)CC4)cc3)C[C@H]1C=N2 ZINC000049808187 IG Annotated Clean Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3Cl)c(=O)c12 ZINC000049808603 IG Annotated Reactive Nc1nc2c(nc(Br)n2[C@H]2CCCc3cccc(Br)c32)c(=O)[nH]1 ZINC000000589850 IG Annotated Anodyne COc1ccnc2c1C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O ZINC000000590484 IG Annotated Clean CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 ZINC000000602621 IG Annotated Anodyne CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(C(=O)c1ccccc1)C2 ZINC000000606706 IG Annotated Anodyne C/C(=N\NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)c1cccc(NC(=O)C(C)C)c1 ZINC000000673360 IG Annotated Reactive Cn1c(=O)c(-c2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 ZINC000000704366 IG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1 ZINC000000753916 IG Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758671 IG Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758672 IG Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758675 IG Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758676 IG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000760729 IG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000760731 IG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763241 IG Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763242 IG Annotated Anodyne O=c1[nH]c2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1Cc1ccccc1 ZINC000000766686 IG Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000767166 IG Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000767167 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 ZINC000000767197 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000000767226 IG Annotated Anodyne CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767550 IG Annotated Bother CC(C)(CO)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000767552 IG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000000767845 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000000767967 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 ZINC000000768274 IG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000768797 IG Annotated Anodyne COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000769175 IG Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000769177 IG Annotated Bother COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000769302 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 ZINC000000769384 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)CN(C)C)c1 ZINC000000769446 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769680 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769682 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000769689 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769722 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000769724 IG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000769742 IG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000769743 IG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769774 IG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769775 IG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 ZINC000000769937 IG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 ZINC000000769938 IG Annotated Anodyne CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)ccc1OC ZINC000000770246 IG Annotated Anodyne CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)ccc1OC ZINC000000770247 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000000770384 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000770890 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771460 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771462 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N(C)C ZINC000000771589 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N(C)C ZINC000000771591 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C ZINC000000771659 IG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N(C)C ZINC000000771661 IG Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000771701 IG Annotated Anodyne COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000772647 IG Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000000772649 IG Annotated Bother COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000000772773 IG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000000772856 IG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000000772924 IG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(OC)cc1OC ZINC000000772947 IG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000772967 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000772968 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000773070 IG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000773072 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000000773151 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000773177 IG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000773179 IG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000773265 IG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 ZINC000000773266 IG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773524 IG Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773525 IG Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775110 IG Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775111 IG Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000775523 IG Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000775524 IG Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000775525 IG Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000775526 IG Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775682 IG Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775683 IG Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775684 IG Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775685 IG Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000000775851 IG Annotated Bother O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000000790383 IG Annotated Anodyne CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000000816132 IG Annotated Mild CN(C)CCC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000000839141 IG Annotated Anodyne COc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 ZINC000000985032 IG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000005070497 IG Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000005070503 IG Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000005070511 IG Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000005070517 IG Annotated Anodyne N#C[C@@H](C(=O)COC(=O)COc1cccc(Br)c1)c1nc2ccccc2[nH]1 ZINC000050664606 IG Annotated Mild CN(C)[C@@H]1CCC[C@H]1N=c1[nH]c(N=C2C=CC(=[S@@](C)(=N)O)C=C2)ncc1C(F)(F)F ZINC000514290507 IG Annotated Mild CN(C)[C@@H]1CCC[C@H]1N=c1[nH]c(N=C2C=CC(=[S@](C)(=N)O)C=C2)ncc1C(F)(F)F ZINC000514290508 IG Annotated Mild N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053229289 IG Annotated Reactive N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053229292 IG Annotated Reactive N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053229295 IG Annotated Reactive N#CC1=C(NCN2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053229298 IG Annotated Reactive CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(S(C)(=O)=O)cc3)sc12 ZINC000053276438 IG Annotated Anodyne CN(C)c1nc(NC(=O)C(c2ccccc2)c2ccccc2)n2nc(-c3ccco3)nc2n1 ZINC000053276767 IG Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(C(=O)NC)cc3)sc12 ZINC000053295598 IG Annotated Anodyne COc1cc(/C=C2/Cc3c(OC(C)=O)cc(OC(C)=O)cc3O2)cc(OC)c1OC(C)=O ZINC000053297170 IG Annotated Anodyne CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)Nc1ccccc12 ZINC000053297255 IG Annotated Reactive CCOC(=O)C1=C(N)OC(c2c[nH]c3ccccc23)=C(C#N)[C@@]12C(=O)N(C)c1ccccc12 ZINC000053298065 IG Annotated Reactive COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 ZINC000053298087 IG Annotated Anodyne O=C1/C=C\c2ccc(cc2)Oc2cc(ccc2O)/C=C/C(=O)NCCCCNCCCN1 ZINC000053598552 IG Annotated Anodyne in-man CC[C@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650915 IG Annotated Anodyne CC[C@@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650918 IG Annotated Anodyne C=CC(C)(C)[C@@]12C[C@@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000005723002 IG Annotated Mild CC(C)OP(=O)(OC(C)C)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000005732873 IG Annotated Anodyne Cc1ccc(N2C(=O)/C(=C3\SC(C(N)=O)=C(N)N3c3ccccc3)SC2=S)cc1 ZINC000005733354 IG Annotated Clean CC(=O)O[C@@H](c1nccn1Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000005763111 IG Annotated Anodyne CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)c(O)c2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000005808314 IG Annotated Clean CCOc1ccccc1NC(=O)CCc1nnc2s/c(=C\CCc3ccccc3)c(=O)n12 ZINC000005813523 IG Annotated Anodyne CC(C)(C)N/N=C(\C(=O)Nc1cccc(Cl)c1)[C@@H]1C(=O)Nc2ccccc2[S@@]1=O ZINC000005824021 IG Annotated Mild CC(C)(C)N/N=C(\C(=O)Nc1cccc(Cl)c1)[C@H]1C(=O)Nc2ccccc2[S@@]1=O ZINC000005824022 IG Annotated Mild O=C(NCCCCN(CCCNC(=O)C(F)(F)F)Cc1ccccc1)C(F)(F)F ZINC000005834343 IG Annotated Anodyne COC(=O)[C@@H]1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)[C@@H]12 ZINC000005836379 IG Annotated Anodyne O=C(O)CN1CCSc2ccccc2CN(CC(=O)O)CCSc2ccccc2C1 ZINC000005843512 IG Annotated Anodyne CCOC(=O)[C@@]12[C@@H]3C=C[C@@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 ZINC000005850051 IG Annotated Anodyne CCOC(=O)[C@@]12[C@H]3C=C[C@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 ZINC000005850055 IG Annotated Anodyne CC(=N/NC(=S)N1CCCCC1)/C(=N\NC(=S)N1CCCCC1)c1ccccc1 ZINC000005850275 IG Annotated Mild CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)[C@@H](OC)N1C(=O)OCC ZINC000005922865 IG Annotated Anodyne C/C=C\[C@H](CC(=O)O)CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000005923623 IG Annotated Anodyne C/C=C\[C@@H](CC(=O)O)CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000005923624 IG Annotated Anodyne C/C=C\[C@H](CC(=O)O)CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000005923627 IG Annotated Anodyne C/C=C\[C@@H](CC(=O)O)CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 ZINC000005923631 IG Annotated Anodyne COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=S)N=C3O)cc1 ZINC000005924744 IG Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)C23C(=O)NC(=S)N=C3O)cc1 ZINC000005924745 IG Annotated Anodyne COc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O ZINC000005924753 IG Annotated Anodyne COc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O ZINC000005924755 IG Annotated Anodyne O=C(Nc1cccc2nsnc12)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005983623 IG Annotated Anodyne Cc1nc(CNC(=O)C[C@@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cs1 ZINC000055042663 IG Annotated Anodyne Cc1nc(CNC(=O)C[C@H]2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cs1 ZINC000055042664 IG Annotated Anodyne COc1ccc(N2CCN([C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)CC2)cc1 ZINC000055089266 IG Annotated Clean COc1ccc(N2CCN([C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)CC2)cc1 ZINC000055089267 IG Annotated Clean CO[C@@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 ZINC000055183259 IG Annotated Anodyne CO[C@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 ZINC000055183260 IG Annotated Anodyne Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](N4CCN(c5ccccc5C)CC4)C3)cc2n1 ZINC000055383251 IG Annotated Anodyne Cc1cc(C)n2nc(C(=O)N3CCC[C@H](N4CCN(c5ccccc5C)CC4)C3)cc2n1 ZINC000055383255 IG Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 ZINC000055805355 IG Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 ZINC000055805356 IG Annotated Reactive Cc1cccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)c3nnnn3c12 ZINC000057679019 IG Annotated Anodyne O=C(Cn1nc(C2CCC(F)(F)CC2)c2cnccc2c1=O)NC1Cc2ccccc2C1 ZINC000058468173 IG Annotated Anodyne NC(=O)[C@@H](Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)c1cncnc1 ZINC000584904912 IG Annotated Anodyne COc1cc(C)c(CNC[C@@H](NC(=O)c2cc(C)on2)c2ccc(C#CCO)cc2)cc1C ZINC000584905188 IG Annotated Mild Cc1ncc(COP(=O)(O)O)c(CCC(=O)c2ccc(Br)cc2)c1O ZINC000584905501 IG Annotated Anodyne CNC(=O)N1N=C(c2ccc(N)c(Br)c2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000584905609 IG Annotated Anodyne O=C(c1cccc(I)c1)[C@H]1CNC[C@@H]1c1ccc2c(O)ncnc2c1 ZINC000584905635 IG Annotated Anodyne O=C[C@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)CCNc1ccccc1 ZINC000584905670 IG Annotated Mild O=C[C@H](Cc1cnc[nH]1)NC[C@H]1C[C@@H]2CCCC[C@H]2CN1C(=O)CCNc1ccccc1 ZINC000584905671 IG Annotated Mild CCCCC[C@@H]1CCCCCNC(=O)CC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)O1 ZINC000584905710 IG Annotated Anodyne O=S(=O)(NC[C@@H](NC12CCC(CC1)CNC2)c1ccccc1)c1ccc(Cl)cc1 ZINC000058512575 IG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 ZINC000058523812 IG Annotated Anodyne CN1CCC[C@H](C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 ZINC000058533851 IG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)cc1 ZINC000058541722 IG Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000058541816 IG Annotated Anodyne Cc1c(C(=O)NN(CC(C)C)c2nc(C#N)ncc2Br)oc2cccnc12 ZINC000058541956 IG Annotated Reactive COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@@H]3CCN(C)[C@H]3CO)c2O)n[nH]1 ZINC000058554576 IG Annotated Anodyne COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 ZINC000058563726 IG Annotated Anodyne Cc1nc2ccc(C(=O)NN(CC(C)C)c3nc(C#N)ncc3Br)cc2[nH]1 ZINC000058569450 IG Annotated Reactive c1ccc(Cn2nnnc2[C@@H](c2ccc3c(c2)CCO3)N2CCCN(C3CCC3)CC2)cc1 ZINC000058575993 IG Annotated Anodyne COC(=O)/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@H](OC(C)=O)[C@]1(C)C(=O)OC ZINC000058581185 IG Annotated Mild CC(C)CN(NC(=O)c1c[nH]c(-c2ccccc2)n1)c1nc(C#N)ncc1Br ZINC000058582460 IG Annotated Reactive CC(C)C[C@H]1C(=O)N(COC(=O)CCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058583243 IG Annotated Anodyne CCOC(=O)CCCCOCC#Cc1ccc2c(c1)c(=O)c(C(=O)OCC)cn2CC ZINC000058583555 IG Annotated Mild Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O ZINC000058586431 IG Annotated Anodyne O=S1(=O)COC[C@@H](COCc2ccc(-c3ccc(CBr)cc3)cc2)N1 ZINC000058590561 IG Annotated Reactive O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn12 ZINC000058592358 IG Annotated Anodyne CCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCc3ccccc32)n1 ZINC000058603636 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O ZINC000058608830 IG Annotated Anodyne Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O ZINC000058609011 IG Annotated Anodyne COc1ccccc1NC(=O)N[C@H](C(=O)N(CCC1CCCC1)CC(=O)NO)C(C)(C)C ZINC000058626680 IG Annotated Bother CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000058626976 IG Annotated Anodyne COc1ccc2c(c1)cc(/C(O)=N/S(=O)(=O)c1cc3ccccc3o1)n2CC(=O)O ZINC000058633687 IG Annotated Mild Cc1ccccc1-n1ncc(C(=O)c2cccc(C3CCN(S(C)(=O)=O)CC3)c2)c1N ZINC000058638431 IG Annotated Anodyne CC(C)N1CCC(N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 ZINC000058651266 IG Annotated Reactive O=S1(=O)COC[C@H](COCc2ccc(-c3ccc(CBr)cc3)cc2)N1 ZINC000058655495 IG Annotated Reactive C[C@H]1CN(c2cccc3cc(C#N)ccc23)CCN1CC[C@H]1OCC2=CC(C(N)=O)=CC[C@@H]21 ZINC000058685730 IG Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C4CCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586885005 IG Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586892477 IG Annotated Reactive O=C(O)[C@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586892485 IG Annotated Reactive O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586892486 IG Annotated Reactive O=C(O)[C@@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586892488 IG Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](O)c4cccc(O)c4)[nH]c3c2)cc1 ZINC000586892537 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1 ZINC000586892539 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893925 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 ZINC000586893926 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586900094 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 ZINC000586900772 IG Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586901628 IG Annotated Anodyne O=C1OC(=O)c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)ccc21 ZINC000586906782 IG Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CC3OCCO3)[nH]c2c1 ZINC000586908264 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909473 IG Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909481 IG Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586910789 IG Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586910791 IG Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586911123 IG Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586911125 IG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3=COCC3)nc1-2 ZINC000586911955 IG Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586913642 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913784 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913817 IG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(=O)oc2c1C ZINC000586918204 IG Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)ccc12 ZINC000586918885 IG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(=O)oc2c1C ZINC000586918909 IG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(I)c3[nH]2)cc1 ZINC000586919581 IG Annotated Bother O=S(=O)(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc2c(c1)CCC2 ZINC000586919914 IG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920014 IG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920058 IG Annotated Bother CSc1sc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920063 IG Annotated Reactive O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920082 IG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586920173 IG Annotated Bother CSc1sc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920211 IG Annotated Mild O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586920461 IG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586920542 IG Annotated Clean O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586920586 IG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586920623 IG Annotated Bother O=S(=O)(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc2c(c1)CCC2 ZINC000586920768 IG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(I)cc3[nH]2)cc1 ZINC000586920800 IG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586920814 IG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cccc(I)c3[nH]2)cc1 ZINC000586920994 IG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000586921037 IG Annotated Clean Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586921174 IG Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586921196 IG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586921441 IG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586921477 IG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586921500 IG Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586921845 IG Annotated Anodyne CC(C)COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586922077 IG Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000586922474 IG Annotated Anodyne CCCCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br ZINC000586922590 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)o1 ZINC000586922615 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c2)o1 ZINC000586923396 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2)o1 ZINC000586923561 IG Annotated Mild CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)o1 ZINC000586923600 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)o1 ZINC000586923741 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)o1 ZINC000586923773 IG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)o1 ZINC000586923866 IG Annotated Anodyne O=S(=O)(Cc1nc2c(I)cnc(Cl)c2[nH]1)C1CCCC1 ZINC000586923979 IG Annotated Anodyne COc1cc(Cc2nc3cc(Cl)nc(C#N)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924564 IG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ccc(Br)nc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924573 IG Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924590 IG Annotated Bother COc1cc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924674 IG Annotated Unstable COc1cc(Cc2nc3cc(Br)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924680 IG Annotated Unstable COc1cc(Cc2nc3ccc(Br)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925216 IG Annotated Unstable NS(=O)(=O)c1cccc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c12 ZINC000586925235 IG Annotated Unstable COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1OC ZINC000586925466 IG Annotated Unstable COc1cc(OC)c2[nH]c(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)nc2c1 ZINC000586925472 IG Annotated Unstable COc1cc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc(S(=O)(=O)Cl)c1OC ZINC000586925477 IG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586925487 IG Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2c1 ZINC000586925513 IG Annotated Unstable COc1cc(Cc2nc3cc(Br)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925564 IG Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586925572 IG Annotated Unstable COc1cc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925588 IG Annotated Unstable CS(=O)(=O)/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586925700 IG Annotated Anodyne CS(=O)(=O)/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586925705 IG Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cc(Br)ncc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925798 IG Annotated Bother COc1cc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc(S(=O)(=O)Cl)c1OC ZINC000586925813 IG Annotated Unstable COc1cc(Cc2nc3ccnc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925852 IG Annotated Unstable COc1cc(Cc2nc3c(Br)ccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925921 IG Annotated Unstable COc1cc(Cc2nc3cncc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925948 IG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586926148 IG Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3ccnc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926282 IG Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926405 IG Annotated Bother CN(C)CCOc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 ZINC000586926450 IG Annotated Bother O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl ZINC000586926596 IG Annotated Unstable CCc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926682 IG Annotated Unstable CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586926846 IG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Br)cnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927098 IG Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 ZINC000586927689 IG Annotated Bother CS(=O)(=O)c1cc(-c2nc3cncc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927858 IG Annotated Bother Cc1cc(-c2nc3ncc(I)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928054 IG Annotated Unstable CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586928076 IG Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586928154 IG Annotated Unstable CN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928658 IG Annotated Mild CN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928689 IG Annotated Mild CN(Cc1nc2c(F)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928711 IG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 ZINC000586928794 IG Annotated Anodyne CN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928811 IG Annotated Mild CN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928818 IG Annotated Mild CCCOc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586928932 IG Annotated Anodyne CN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928996 IG Annotated Mild CN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929268 IG Annotated Mild CC(C)CCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586929338 IG Annotated Anodyne CN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929364 IG Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586929435 IG Annotated Anodyne CN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929552 IG Annotated Anodyne CC(C)Oc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586929617 IG Annotated Anodyne CN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929697 IG Annotated Mild Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1Cl ZINC000586929716 IG Annotated Unstable CN(C)S(=O)(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586929871 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(N)c3[nH]2)c1 ZINC000586929987 IG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586930136 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(O)c3[nH]2)c1 ZINC000586930178 IG Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cc1 ZINC000586930416 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(N)c(N)cc3[nH]2)c1 ZINC000586930681 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(N)ccnc3[nH]2)c1 ZINC000586931066 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(N)ncc3[nH]2)c1 ZINC000586931280 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586931405 IG Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586931417 IG Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2)cc1 ZINC000586931432 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586931449 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586931600 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586931632 IG Annotated Bother CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586931671 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586931862 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586931914 IG Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586932174 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586932178 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586932204 IG Annotated Mild CCOC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c2c1 ZINC000586932218 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586932240 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586932298 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2c1 ZINC000586932465 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2c1 ZINC000586932468 IG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586932509 IG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586932510 IG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586932570 IG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586932572 IG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586932842 IG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586932843 IG Annotated Anodyne CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586932886 IG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586933752 IG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586933754 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586934535 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000586934540 IG Annotated Anodyne COC(=O)c1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cn1 ZINC000586934935 IG Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cn1 ZINC000586934938 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586934994 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000586934996 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CCO)cc2[nH]1 ZINC000586935027 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CCO)cc2[nH]1 ZINC000586935030 IG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586935075 IG Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586935433 IG Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586935437 IG Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc12 ZINC000586935447 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc12 ZINC000586935449 IG Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586935513 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1OC ZINC000586935514 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586935585 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586935587 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586935591 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586935593 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935990 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586935991 IG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586936125 IG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586936131 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586936418 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000586936419 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586936446 IG Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586936448 IG Annotated Bother NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 ZINC000586936839 IG Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ncnc2[nH]1 ZINC000586936910 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ncnc2[nH]1 ZINC000586936917 IG Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 ZINC000586936988 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 ZINC000586936989 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586937500 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586937503 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586938024 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586938026 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586938071 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586938075 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586938111 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586938116 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586938190 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc2cc1OC ZINC000586938191 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586938420 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000586938422 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586938443 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000586938444 IG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000586938557 IG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000586938558 IG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586938766 IG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586938772 IG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586939207 IG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586939208 IG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586939780 IG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586939781 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586939789 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586939790 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 ZINC000586939791 IG Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H](C)O)cc1 ZINC000586939792 IG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586940311 IG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586940313 IG Annotated Anodyne C=CCc1cccc2nc([C@@H]3CCCN3C(=O)CNS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586940353 IG Annotated Mild Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586940594 IG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940604 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940670 IG Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586940683 IG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586940684 IG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940783 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586940784 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(C)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940882 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586940883 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cnc4ccccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000586940913 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940927 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc4ncccc4c3[nH]2)cc1[N+](=O)[O-] ZINC000586941045 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1[N+](=O)[O-] ZINC000586941113 IG Annotated Bother COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Cl ZINC000586941150 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941205 IG Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586941291 IG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586941292 IG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000586941441 IG Annotated Bother N#Cc1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586941536 IG Annotated Mild O=S(=O)(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)s1 ZINC000586941555 IG Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)s1 ZINC000586941612 IG Annotated Anodyne N#Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1C(F)(F)F ZINC000586941641 IG Annotated Mild Cc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1Br ZINC000586941698 IG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1[N+](=O)[O-] ZINC000586941778 IG Annotated Bother O=S(=O)(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586941824 IG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586941867 IG Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586941890 IG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586941906 IG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(OC(C)C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941961 IG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941999 IG Annotated Bother Cc1c(Br)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942008 IG Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942095 IG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586942137 IG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942153 IG Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942160 IG Annotated Anodyne O=S(=O)(NCCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(Cl)nc1 ZINC000586942298 IG Annotated Bother O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCCO3)c1c(Cl)cccc1Cl ZINC000586942318 IG Annotated Anodyne Cc1cc(Br)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942343 IG Annotated Anodyne O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Br)s1 ZINC000586942348 IG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586942353 IG Annotated Anodyne O=[N+]([O-])c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1F ZINC000586942387 IG Annotated Bother O=S(=O)(NCCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942448 IG Annotated Anodyne Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942474 IG Annotated Anodyne O=S(=O)(NCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942489 IG Annotated Anodyne O=S(=O)(NCCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942607 IG Annotated Anodyne O=S(=O)(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942673 IG Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942714 IG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942849 IG Annotated Anodyne COC(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942855 IG Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942912 IG Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943114 IG Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2cc1[N+](=O)[O-] ZINC000586943181 IG Annotated Bother O=S(=O)(NCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(Br)s1 ZINC000586943202 IG Annotated Anodyne CCOC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586943282 IG Annotated Anodyne O=S(=O)(NCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1c(Cl)cccc1Cl ZINC000586943376 IG Annotated Anodyne O=C(O)c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1F ZINC000586943393 IG Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943445 IG Annotated Mild COc1cc(OC)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 ZINC000586943475 IG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)cc1 ZINC000586943671 IG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586943776 IG Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)cc1 ZINC000586943856 IG Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 ZINC000586943935 IG Annotated Bother CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)cc1 ZINC000586943943 IG Annotated Anodyne Cc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 ZINC000586944396 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945226 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc12 ZINC000586945251 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586945291 IG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586945293 IG Annotated Bother COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c1 ZINC000586945511 IG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 ZINC000586945514 IG Annotated Anodyne O=C1COc2cc3[nH]c(-c4sccc4S(=O)(=O)NCc4cccs4)nc3cc2N1 ZINC000586945519 IG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945531 IG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1[N+](=O)[O-] ZINC000586945597 IG Annotated Bother CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945617 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586945686 IG Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945689 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586945690 IG Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945692 IG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1OC ZINC000586945723 IG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586945794 IG Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945835 IG Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586945837 IG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586945875 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 ZINC000586945892 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 ZINC000586945894 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 ZINC000586946020 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 ZINC000586946021 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2n1 ZINC000586946199 IG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586946304 IG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586946352 IG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586946363 IG Annotated Anodyne O=C1CCc2cc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3cc2N1 ZINC000586946387 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1OC ZINC000586946409 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586946475 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586946477 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586946555 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586946558 IG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586946573 IG Annotated Clean CNS(=O)(=O)c1ccc(CCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586946627 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586946630 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586946632 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)n(C)c1 ZINC000586946745 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 ZINC000586946802 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 ZINC000586946805 IG Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cn1 ZINC000586946854 IG Annotated Anodyne CCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br ZINC000586947014 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 ZINC000586947052 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 ZINC000586947054 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586947136 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586947137 IG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586947175 IG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586947219 IG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586947222 IG Annotated Bother CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)n(C)c1 ZINC000586947231 IG Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586947260 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586947261 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947269 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947291 IG Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(C#N)c(C#N)[nH]c-4n3)cc2)c1C ZINC000586947331 IG Annotated Mild O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586947430 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586947433 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n(C)c1 ZINC000586947540 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n(C)c1 ZINC000586947547 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)n(C)c1 ZINC000586947557 IG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)n(C)c1 ZINC000586947612 IG Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br ZINC000586947637 IG Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(O)c2[nH]1 ZINC000586948288 IG Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586948638 IG Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586949124 IG Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586949597 IG Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2cnc(Cl)[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586949809 IG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(I)cc2[nH]1 ZINC000586949841 IG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2nc(Cl)c[nH]c-2n1)c1ccc2c(c1)OCCO2 ZINC000586949847 IG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586949854 IG Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949889 IG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Cl)ncnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950002 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 ZINC000586950248 IG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950317 IG Annotated Anodyne N[C@H](N=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950320 IG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586950505 IG Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2cccc(I)c2[nH]1 ZINC000586950518 IG Annotated Anodyne O=S(=O)(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950637 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 ZINC000586950699 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000586950719 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586950757 IG Annotated Anodyne COC(=O)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950959 IG Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586951009 IG Annotated Anodyne N#Cc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1C#N ZINC000586951023 IG Annotated Mild O=C(O)c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F ZINC000586951257 IG Annotated Anodyne N#Cc1nc(Cl)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951262 IG Annotated Mild O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586951397 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586951446 IG Annotated Anodyne CN(C)C(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951453 IG Annotated Anodyne O=S(=O)(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951464 IG Annotated Anodyne O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(N2CCCCC2)cc1 ZINC000586951468 IG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586951518 IG Annotated Clean O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)ncc3[nH]2)c1 ZINC000586951536 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586951599 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586951618 IG Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000586951625 IG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951630 IG Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586951739 IG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951741 IG Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586951794 IG Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc(I)cc3[nH]2)CC1 ZINC000586951965 IG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586951977 IG Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000586952586 IG Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)nccc3[nH]2)cc1 ZINC000586952822 IG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 ZINC000586952824 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000586952867 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2c1 ZINC000586952872 IG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cccc(I)c3[nH]2)CC1 ZINC000586952922 IG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586953009 IG Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cccc(I)c3[nH]2)CC1 ZINC000586953186 IG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000586953224 IG Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000586953245 IG Annotated Clean CC1CCC(NS(=O)(=O)Cc2nc3ccc(I)cc3[nH]2)CC1 ZINC000586953281 IG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586953459 IG Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000586953666 IG Annotated Bother Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncc(C)c3[nH]2)cc1 ZINC000586953683 IG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953684 IG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CC1 ZINC000586953689 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586953778 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1OC ZINC000586953964 IG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1[N+](=O)[O-] ZINC000586953995 IG Annotated Bother CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586954012 IG Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586954035 IG Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586954163 IG Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586954326 IG Annotated Anodyne CCCCOc1cc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2cc1Br ZINC000586954432 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2N)C1 ZINC000586954454 IG Annotated Anodyne Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586954455 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC2)cc1 ZINC000586954686 IG Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 ZINC000586954710 IG Annotated Anodyne COC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2n1 ZINC000586954711 IG Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 ZINC000586954757 IG Annotated Anodyne COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cn1 ZINC000586954776 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2N)C1 ZINC000586954826 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(OCCN(C)C)cc4[nH]3)CC2)cc1 ZINC000586954827 IG Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)ncc3[nH]2)c1)N1CCC1 ZINC000586954871 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2N)C1 ZINC000586954875 IG Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2N)C1 ZINC000586954882 IG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000586954883 IG Annotated Bother O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1)N1CCC1 ZINC000586955070 IG Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CC2)cc1 ZINC000586955095 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2N)C1 ZINC000586955268 IG Annotated Bother O=S(=O)(c1ccc(Cl)c(-c2nc3cncc(Br)c3[nH]2)c1)N1CCC1 ZINC000586955398 IG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 ZINC000586955479 IG Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586955485 IG Annotated Anodyne COC(=O)c1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2cc1OC ZINC000586955551 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2N)C1 ZINC000586955632 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2N)C1 ZINC000586955634 IG Annotated Bother COC(=O)c1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 ZINC000586955638 IG Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955660 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2N)C1 ZINC000586955661 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2N)C1 ZINC000586955662 IG Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(S)nc4[nH]3)CC2)cc1 ZINC000586955872 IG Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cc(Br)cnc3[nH]2)c1)N1CCC1 ZINC000586955879 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2N)C1 ZINC000586955923 IG Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955992 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2N)C1 ZINC000586956045 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1OC ZINC000586956053 IG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2N)C1 ZINC000586956056 IG Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956069 IG Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 ZINC000586956086 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586956229 IG Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2cn1 ZINC000586956303 IG Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 ZINC000586956439 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586956523 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586956524 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(OC)c2[nH]1 ZINC000586956549 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586956623 IG Annotated Anodyne Nc1nccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586956641 IG Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2n1 ZINC000586956683 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586956721 IG Annotated Anodyne COc1ccc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956762 IG Annotated Anodyne O=S(=O)(c1cc(-c2nc3cnnc(O)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956826 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586956894 IG Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(O)ncnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956896 IG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(OC)c2[nH]1 ZINC000586956900 IG Annotated Anodyne COc1ccc(Cc2nc3ccc(Cl)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957194 IG Annotated Anodyne COc1ccc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957242 IG Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)cc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957289 IG Annotated Anodyne COc1ccc(Cc2nc3cc(C)c(Cl)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957357 IG Annotated Anodyne COc1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1S(=O)(=O)N1CCOCC1 ZINC000586957363 IG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586957525 IG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586957540 IG Annotated Mild O=C1COc2cc3[nH]c(CCC[S@@](=O)c4ccc(Br)cc4)nc3cc2N1 ZINC000586957641 IG Annotated Anodyne O=C1COc2cc3[nH]c(CCC[S@](=O)c4ccc(Br)cc4)nc3cc2N1 ZINC000586957643 IG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586957841 IG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586957842 IG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586957938 IG Annotated Mild NS(=O)(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586958055 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586958059 IG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586958211 IG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586958213 IG Annotated Anodyne O=[S@@](CCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958421 IG Annotated Anodyne O=[S@](CCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958422 IG Annotated Anodyne Cc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1C ZINC000586958606 IG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586958655 IG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586958792 IG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586958802 IG Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)cc1 ZINC000586958876 IG Annotated Anodyne O=[S@](CCCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586959128 IG Annotated Anodyne O=[S@@](CCCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586959131 IG Annotated Anodyne CC(=O)c1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586959177 IG Annotated Mild O=[S@](CCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959205 IG Annotated Anodyne O=[S@@](CCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959208 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959412 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959415 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959416 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959417 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959420 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959421 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959422 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959424 IG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586959686 IG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586959907 IG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586959977 IG Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586960026 IG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586960045 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586960072 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586960075 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586960078 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 ZINC000586960081 IG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960319 IG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960320 IG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586960433 IG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586960435 IG Annotated Anodyne COc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1C ZINC000586960450 IG Annotated Mild COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586960682 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586960684 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586960687 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586960689 IG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586961023 IG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586961028 IG Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586961694 IG Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586961695 IG Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586961697 IG Annotated Anodyne N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 ZINC000586961699 IG Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2c1 ZINC000586961743 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961972 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586961973 IG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586962532 IG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586962533 IG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586962534 IG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586962537 IG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(O)nc(S)nc3[nH]2)ccc1Cl ZINC000586962806 IG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Cl ZINC000586963240 IG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963289 IG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586963290 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cnc2[nH]1 ZINC000586964309 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586964356 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(Br)c2[nH]1 ZINC000586964479 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)nc2[nH]1 ZINC000586964549 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586964661 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586964708 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000586964991 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(Br)ccnc2[nH]1 ZINC000586965120 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)ncc2[nH]1 ZINC000586965134 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000586965192 IG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)n2C)cc1 ZINC000586965332 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(Br)c2[nH]1 ZINC000586965442 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000586965509 IG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586965725 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2c1 ZINC000586965770 IG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)n2C)cc1 ZINC000586965788 IG Annotated Anodyne c1ccc(Cn2c(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)nnc2C2CC2)cc1 ZINC000586966240 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966410 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966423 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966434 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966465 IG Annotated Anodyne Ic1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586966671 IG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSc3nc(-c4cccnc4)no3)nc-2[nH]1 ZINC000586966913 IG Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1Cl ZINC000586968292 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586968415 IG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1C=O ZINC000586968743 IG Annotated Mild Cc1ccc(-n2cnnc2SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1Cl ZINC000586968908 IG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(O)nc(O)nc3[nH]2)c1C=O ZINC000586968914 IG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000586969635 IG Annotated Anodyne Cc1ccc(NC(=O)CSCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586971080 IG Annotated Anodyne COC(=O)c1cc2nc(CCNC(=O)CBr)[nH]c2c(F)c1Nc1ccccc1 ZINC000586971412 IG Annotated Reactive Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586971545 IG Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586973993 IG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586973998 IG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC ZINC000586975062 IG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC ZINC000586975063 IG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC ZINC000586975353 IG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC ZINC000586975360 IG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC ZINC000586975651 IG Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC ZINC000586975653 IG Annotated Bother COc1cc(Br)c([C@H](N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC ZINC000586975713 IG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC ZINC000586975714 IG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586976704 IG Annotated Anodyne COc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 ZINC000586976792 IG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586976825 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586977105 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586977106 IG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC ZINC000586977144 IG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC ZINC000586977146 IG Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cn1 ZINC000586977302 IG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccnc(O)c2[nH]1 ZINC000586977379 IG Annotated Anodyne COc1cncc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586977787 IG Annotated Anodyne Nc1ccnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 ZINC000586978056 IG Annotated Anodyne COc1nccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586978091 IG Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1N ZINC000586978317 IG Annotated Anodyne CCOc1cc(/C=C\c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(Br)c1OC ZINC000586978530 IG Annotated Mild CCOc1cc(/C=C/c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(Br)c1OC ZINC000586978531 IG Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586978612 IG Annotated Anodyne Cc1nn(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1Br ZINC000586978684 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978764 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 ZINC000586978788 IG Annotated Anodyne Cc1nn(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)c1Br ZINC000586979008 IG Annotated Anodyne Cc1nn(Cc2nc3cc(I)cnc3[nH]2)c(C)c1Br ZINC000586979106 IG Annotated Anodyne CCOc1n[nH]c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1Br ZINC000586979281 IG Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1Br ZINC000586979532 IG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2nc(Br)c[nH]c-2n1 ZINC000586979719 IG Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(I)cnc3[nH]2)c1Br ZINC000586979752 IG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586979767 IG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586979998 IG Annotated Anodyne Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980029 IG Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586980301 IG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586980348 IG Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)NNC(=O)C1 ZINC000586983377 IG Annotated Anodyne CC1=C(c2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)NNC(=O)C1 ZINC000586983382 IG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586983715 IG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1 ZINC000586984322 IG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1 ZINC000586984323 IG Annotated Anodyne CC(=O)N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 ZINC000586984624 IG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 ZINC000586984627 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984684 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984686 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985404 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985405 IG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986054 IG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986055 IG Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC1 ZINC000586987397 IG Annotated Anodyne CCOC(=O)C1=C[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000586987402 IG Annotated Anodyne CCOC(=O)C1=C[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000586987403 IG Annotated Anodyne CCOC(=O)[C@@H]([C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000586987913 IG Annotated Mild CCOC(=O)[C@H]([C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000586987915 IG Annotated Mild CCOC(=O)[C@@H]([C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000586987916 IG Annotated Mild CCOC(=O)[C@H]([C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1)[N+](=O)[O-] ZINC000586987918 IG Annotated Mild CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987920 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987923 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000586989700 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000586989701 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1)-c1ccccc1C5=O ZINC000586989702 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O ZINC000586989703 IG Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4S3(=O)=O)nc3ccc(O)c1c23 ZINC000586992923 IG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993279 IG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](N1CCS(=O)(=O)CC1)CCC3 ZINC000586993454 IG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](N1CCS(=O)(=O)CC1)CCC3 ZINC000586993458 IG Annotated Anodyne CC(=O)C(OO[C@@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000586993667 IG Annotated Reactive CC(=O)C(OO[C@H](C(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)=O ZINC000586993669 IG Annotated Reactive CS(=O)(=O)c1cc2c(nc1O)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993849 IG Annotated Anodyne COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1S(N)(=O)=O ZINC000586994200 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(O)ncnc2[nH]1 ZINC000586995016 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586995240 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586996082 IG Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586996520 IG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc([C@H](O)c3ccc(Br)cc3)nc-2[nH]1 ZINC000586996559 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586997271 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cnnc(O)c2[nH]1 ZINC000586997289 IG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000586997304 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(N)ncnc2[nH]1 ZINC000586998212 IG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(N)nc(Cl)c4[nH]3)cc2cc1Br ZINC000586998646 IG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586999472 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 ZINC000586999547 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 ZINC000586999597 IG Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000586999654 IG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000586999658 IG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)nc(S)nc4[nH]3)cc2cc1Br ZINC000586999773 IG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586999821 IG Annotated Bother Brc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2c1OCCO2 ZINC000586999826 IG Annotated Anodyne Brc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2c1OCCO2 ZINC000586999831 IG Annotated Anodyne O=C1COc2cc3nc(-c4cc5cc(Br)c(O)cc5oc4=O)[nH]c3cc2N1 ZINC000587000096 IG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587000238 IG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 ZINC000587000242 IG Annotated Anodyne CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 ZINC000587000267 IG Annotated Anodyne O=C(O)c1cc(F)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587000275 IG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587000289 IG Annotated Anodyne CCn1cc(Br)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 ZINC000587000292 IG Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)n1 ZINC000587000386 IG Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(I)cnc3[nH]2)n1 ZINC000587000497 IG Annotated Anodyne O=C(O)c1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1F ZINC000587000613 IG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587000891 IG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587001061 IG Annotated Anodyne N#Cc1nc(Cl)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001234 IG Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001574 IG Annotated Anodyne COC(=O)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001676 IG Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001927 IG Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001928 IG Annotated Anodyne COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1OC ZINC000587002018 IG Annotated Anodyne COc1cc(OC)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 ZINC000587002133 IG Annotated Anodyne CCOC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002134 IG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587002257 IG Annotated Anodyne O=C1CCc2cc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3cc2N1 ZINC000587002741 IG Annotated Anodyne COC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002808 IG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587003379 IG Annotated Anodyne O=C1C[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587003550 IG Annotated Anodyne O=C1C[C@H](Cc2nc3nc(Br)c[nH]c-3n2)c2c(Br)cccc2O1 ZINC000587003551 IG Annotated Anodyne O=C1COc2cc3[nH]c(C[C@@H]4CC(=O)Oc5cccc(Br)c54)nc3cc2N1 ZINC000587003667 IG Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H]4CC(=O)Oc5cccc(Br)c54)nc3cc2N1 ZINC000587003672 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003725 IG Annotated Anodyne CS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004804 IG Annotated Anodyne CS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587004806 IG Annotated Anodyne CCCn1cnc2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc(Br)c21 ZINC000587005000 IG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nc(Cl)cnc3Br)nc-2[nH]1 ZINC000587005620 IG Annotated Anodyne Clc1cnc(Br)c(-c2nc3cc(I)cnc3[nH]2)n1 ZINC000587005876 IG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cn1 ZINC000587005984 IG Annotated Anodyne O=c1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006014 IG Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c12 ZINC000587006144 IG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 ZINC000587006396 IG Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 ZINC000587006712 IG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587006874 IG Annotated Anodyne N#Cc1nc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2nc1C#N ZINC000587007324 IG Annotated Mild Brc1cnc2c(-c3nc4cc(I)cnc4[nH]3)cnn2c1 ZINC000587007626 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587007689 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587007831 IG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1)C(F)(F)F ZINC000587008695 IG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 ZINC000587009219 IG Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587013878 IG Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 ZINC000587013879 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4csc(CNC(=O)OC(C)(C)C)n4)[nH]c3c2)NNC(=O)C1 ZINC000587014582 IG Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cs2)o1 ZINC000587015875 IG Annotated Anodyne O=S(=O)(O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587016994 IG Annotated Anodyne O=C(Nc1nc(Cc2nc3nc(Br)c[nH]c-3n2)cs1)c1cccc(O)c1 ZINC000587018955 IG Annotated Anodyne COC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1OC ZINC000587019599 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 ZINC000587019770 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c12 ZINC000587019799 IG Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019900 IG Annotated Anodyne O=C(Nc1nc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020133 IG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c12 ZINC000587020248 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587020257 IG Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1)N1CCOCC1 ZINC000587020745 IG Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cs1 ZINC000587021605 IG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C#N)cc(Br)c3[nH]2)s1 ZINC000587023432 IG Annotated Mild O=C(CCc1nc2cc(Br)ncc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023450 IG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(F)cnc(Br)c3[nH]2)s1 ZINC000587023476 IG Annotated Anodyne O=C(CCc1nc2c(F)cnc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023488 IG Annotated Anodyne Cc1nc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023498 IG Annotated Anodyne O=C(CCc1nc2c(Br)ccnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023515 IG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)s1 ZINC000587023740 IG Annotated Anodyne O=C(CCc1nc2cc(Br)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023759 IG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 ZINC000587023769 IG Annotated Anodyne O=C(CCc1nc2cncc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023792 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587023793 IG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c(O)c3[nH]2)s1 ZINC000587024046 IG Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587024064 IG Annotated Anodyne O=C(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024329 IG Annotated Anodyne O=C(CCc1nc2ccnc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024407 IG Annotated Anodyne O=C(CCc1nc2ccc(Br)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024409 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026602 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026615 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026619 IG Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587026620 IG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587026695 IG Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cscn1 ZINC000587027339 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027579 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027581 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027583 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587027586 IG Annotated Anodyne O=C(c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587028617 IG Annotated Anodyne Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587028758 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)cc1 ZINC000587029206 IG Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4sc5c(c4C)C(=O)N4CCC=C4N5)nc3c2)NNC(=O)C1 ZINC000587029716 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 ZINC000587030070 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 ZINC000587030817 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 ZINC000587030818 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 ZINC000587030819 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 ZINC000587030820 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 ZINC000587030822 IG Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 ZINC000587030823 IG Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 ZINC000587030824 IG Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)NN)cc3[nH]1)N2 ZINC000587030825 IG Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 ZINC000587031446 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 ZINC000587031448 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 ZINC000587031450 IG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 ZINC000587031452 IG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(N)ccnc4[nH]3)ccc2s1 ZINC000587033455 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587033971 IG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccnc(O)c4[nH]3)ccc2s1 ZINC000587034297 IG Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(N)c(N)cc4[nH]3)ccc2s1 ZINC000587034392 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587034706 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2C1 ZINC000587035036 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2C1 ZINC000587035372 IG Annotated Anodyne O=C(NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587035493 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587036809 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587036810 IG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc12 ZINC000587036991 IG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc12 ZINC000587036992 IG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)cc12 ZINC000587037188 IG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)cc12 ZINC000587037189 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1OC ZINC000587037425 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1OC ZINC000587037428 IG Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587037978 IG Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1OC ZINC000587038003 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1OC ZINC000587038004 IG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)C1=O ZINC000587038045 IG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(I)cnc(Cl)c3[nH]2)C1=O ZINC000587038052 IG Annotated Mild CCS(=O)(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038061 IG Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038064 IG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc12 ZINC000587038395 IG Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc12 ZINC000587038399 IG Annotated Bother CC1=C(c2ccc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)NNC(=O)C1 ZINC000587038415 IG Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)NNC(=O)C1 ZINC000587038416 IG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)C1=O ZINC000587038458 IG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)C1=O ZINC000587038459 IG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)C1=O ZINC000587038461 IG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)C1=O ZINC000587038462 IG Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc(I)cc2[nH]1 ZINC000587038485 IG Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4nnsc4NC(=O)OC(C)(C)C)nc3c2)NNC(=O)C1 ZINC000587039890 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587040187 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587040196 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000587041086 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000587041087 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041686 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 ZINC000587041687 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042124 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 ZINC000587042125 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587044288 IG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587044289 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 ZINC000587047841 IG Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587047843 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587048268 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000587048273 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587049055 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587049179 IG Annotated Mild O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl ZINC000587050462 IG Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl ZINC000587050466 IG Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587050601 IG Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587050609 IG Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587051492 IG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000587051498 IG Annotated Anodyne O=C(c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587052698 IG Annotated Anodyne CCc1cc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl ZINC000587052854 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 ZINC000587053074 IG Annotated Bother COC(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2n1 ZINC000587053075 IG Annotated Bother COC(=O)c1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 ZINC000587053128 IG Annotated Bother COC(=O)c1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cn1 ZINC000587053130 IG Annotated Bother NS(=O)(=O)c1cccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 ZINC000587053222 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 ZINC000587054304 IG Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)nc12 ZINC000587054307 IG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c12 ZINC000587060529 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1c1ccccc1Cl ZINC000587061096 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)OC)ncc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062044 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(O)nc(S)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062097 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)OC)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062515 IG Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587062820 IG Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587062822 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cccc(C(N)=O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063334 IG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(C(=O)OC)ccnc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063711 IG Annotated Anodyne O=c1cccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063957 IG Annotated Anodyne O=c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064029 IG Annotated Anodyne O=C1COc2cc3nc(-c4cccc(=O)n4CCOc4ccccc4Cl)[nH]c3cc2N1 ZINC000587064163 IG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587067104 IG Annotated Anodyne Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587067727 IG Annotated Anodyne Cc1c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073094 IG Annotated Anodyne O=C(c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587074713 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 ZINC000587075559 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587075591 IG Annotated Anodyne Cc1onc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078755 IG Annotated Bother Cc1onc(-c2nc3nccc(Br)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079024 IG Annotated Bother Cc1onc(-c2nc3ncc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079068 IG Annotated Bother CCOC(=O)Cc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 ZINC000587079370 IG Annotated Bother COC(=O)c1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1OC ZINC000587079419 IG Annotated Bother Cc1onc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079556 IG Annotated Bother COC(=O)c1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1OC ZINC000587079796 IG Annotated Bother Cc1onc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079832 IG Annotated Bother Cc1onc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079845 IG Annotated Bother Cc1onc(-c2nc3nc(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079982 IG Annotated Bother Cc1onc(-c2nc3cnc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079985 IG Annotated Bother Cc1onc(-c2nc3c(Br)cncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080417 IG Annotated Bother Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080603 IG Annotated Bother O=S(=O)(c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1)N1CCOCC1 ZINC000587080645 IG Annotated Anodyne Cc1onc(-c2nc3c(Br)nccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080808 IG Annotated Bother Cc1onc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080851 IG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 ZINC000587082580 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084955 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587085036 IG Annotated Anodyne Clc1nccnc1N1CCC(c2nc3cc(I)cnc3[nH]2)CC1 ZINC000587085496 IG Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587086566 IG Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587087132 IG Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(O)ncnc5[nH]4)(C3)C1)C2 ZINC000587087252 IG Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587087284 IG Annotated Mild Oc1nc(NCc2ccccc2)c2nc(C(F)(Br)Br)nc-2[nH]1 ZINC000587087791 IG Annotated Anodyne FC(Br)(Br)c1nc2cc(I)cnc2[nH]1 ZINC000587087816 IG Annotated Anodyne Nc1ncnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587088145 IG Annotated Anodyne N=c1[nH]cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc-2[nH]1 ZINC000587088775 IG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587088790 IG Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cnnc(O)c5[nH]4)(C3)C1)C2 ZINC000587088833 IG Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587088844 IG Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587091485 IG Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)nn1CC(F)(F)F ZINC000587091656 IG Annotated Bother NS(=O)(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587091730 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000587091731 IG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(F)(F)F ZINC000587091928 IG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(F)(F)F ZINC000587091930 IG Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587092708 IG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587092720 IG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587093185 IG Annotated Bother Cc1csc([C@](O)(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093815 IG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093830 IG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093905 IG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)F)n1 ZINC000587093913 IG Annotated Anodyne CC1=C(c2ccc3nc(C[C@@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587094971 IG Annotated Anodyne CC1=C(c2ccc3nc(C[C@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587094975 IG Annotated Anodyne Cc1ccc2c3c(cc(-c4cc5c(=O)n(C)c(=O)n(C)c5n4C)nc13)-c1ccccc1C2=O ZINC000587096400 IG Annotated Anodyne COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587097268 IG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O ZINC000587097271 IG Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587097274 IG Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587097276 IG Annotated Anodyne C[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097859 IG Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097870 IG Annotated Anodyne CCOC(=O)C1=C[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000587105106 IG Annotated Anodyne CCOC(=O)C1=C[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N ZINC000587105107 IG Annotated Anodyne COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107651 IG Annotated Anodyne O=C(c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587108998 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109397 IG Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587110091 IG Annotated Bother CCOC(=O)Cc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587111210 IG Annotated Anodyne COC(=O)c1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1OC ZINC000587111244 IG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587111763 IG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587111773 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 ZINC000587112712 IG Annotated Anodyne CN(C)CCOc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113288 IG Annotated Anodyne COC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1OC ZINC000587113370 IG Annotated Anodyne CN1CCN(c2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)CC1 ZINC000587113411 IG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)n2)cc1 ZINC000587113974 IG Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1[N+](=O)[O-] ZINC000587113989 IG Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587114357 IG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587114359 IG Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)nc(O)nc4[nH]3)nc2n1 ZINC000587115459 IG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587116953 IG Annotated Bother NS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116999 IG Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(S)nc(S)nc3[nH]2)cc1Br ZINC000587117529 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587117716 IG Annotated Anodyne CN(C)C(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117933 IG Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118924 IG Annotated Anodyne Nc1nc(Cl)c2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2n1 ZINC000587118985 IG Annotated Bother O=C1COc2cc3[nH]c(CCn4cc(Br)c(C(F)(F)F)n4)nc3cc2N1 ZINC000587119062 IG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587119165 IG Annotated Bother FC(F)(F)c1nn(CCc2nc3nc(Br)c[nH]c-3n2)cc1Br ZINC000587119541 IG Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119577 IG Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)no2)n1 ZINC000587119827 IG Annotated Anodyne CC1=C(c2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)NNC(=O)C1 ZINC000587120087 IG Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)NNC(=O)C1 ZINC000587120096 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587120612 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)ncc2[nH]1 ZINC000587120729 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)cnc2[nH]1 ZINC000587120747 IG Annotated Anodyne N#Cc1nc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc-2[nH]c1C#N ZINC000587120783 IG Annotated Mild Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)nc2[nH]1 ZINC000587121004 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccnc(Br)c2[nH]1 ZINC000587121014 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587121026 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 ZINC000587121033 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(Br)ccnc2[nH]1 ZINC000587121138 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cncc(Br)c2[nH]1 ZINC000587121146 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587121218 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587121240 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3c2)NNC(=O)C1 ZINC000587123811 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](C)N5)[nH]c3c2)NNC(=O)C1 ZINC000587123813 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3c2)NNC(=O)C1 ZINC000587123816 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](C)N5)[nH]c3c2)NNC(=O)C1 ZINC000587123820 IG Annotated Anodyne Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124214 IG Annotated Anodyne Cc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125820 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587126600 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 ZINC000587126876 IG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)ncc(F)c2[nH]1)C(F)(F)F ZINC000587127401 IG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(F)(F)F ZINC000587127423 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587127781 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587127796 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Cl)ncnc5[nH]4)nc3n2)cn1 ZINC000587127903 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cnc5[nH]4)nc3n2)cn1 ZINC000587128099 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 ZINC000587128484 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5nc(Cl)c[nH]c-5n4)nc3n2)cn1 ZINC000587128494 IG Annotated Anodyne CCOC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587128618 IG Annotated Anodyne FC(F)c1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cnc2ncnn12 ZINC000587128855 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnc(Cl)[nH]c-5n4)nc3n2)cn1 ZINC000587128880 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6cn[nH]c6cc5[nH]4)nc3n2)cn1 ZINC000587129021 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nnn(C)c4C(F)F)[nH]c3c2)cc1 ZINC000587129311 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C#N)cc5[nH]4)nc3n2)cn1 ZINC000587129799 IG Annotated Mild CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC(F)(F)C1 ZINC000587129961 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc(OC)c5[nH]4)nc3n2)cn1 ZINC000587130057 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OC)nc5[nH]4)nc3n2)cn1 ZINC000587130062 IG Annotated Anodyne Cn1nc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130156 IG Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C#N)c5[nH]4)nc3n2)cn1 ZINC000587130617 IG Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(CO)cc5[nH]4)nc3n2)cn1 ZINC000587130877 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)ncc5[nH]4)nc3n2)cn1 ZINC000587131191 IG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(OC)c5[nH]4)nc3n2)cn1 ZINC000587131247 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131537 IG Annotated Anodyne O=C(c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587131550 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 ZINC000587131647 IG Annotated Anodyne O=S(=O)(c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1)N1CCOCC1 ZINC000587131931 IG Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587133160 IG Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587133161 IG Annotated Anodyne O=S(=O)(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133798 IG Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133810 IG Annotated Anodyne O=S(=O)(NCc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587133999 IG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587134048 IG Annotated Mild O=S(=O)(NCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134075 IG Annotated Anodyne O=S(=O)(NCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134336 IG Annotated Anodyne N#Cc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1C(F)(F)F ZINC000587134346 IG Annotated Mild O=S(=O)(NCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134367 IG Annotated Anodyne Nc1ccc(-c2ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3c2)cc1N ZINC000587134895 IG Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587135005 IG Annotated Anodyne CC(C)(C)Oc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(N)cc1F ZINC000587136338 IG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587140054 IG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587140055 IG Annotated Anodyne N=c1[nH]c2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc-2c(Cl)[nH]1 ZINC000587140184 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12 ZINC000587140797 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2n1 ZINC000587140857 IG Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cn1 ZINC000587140868 IG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)c1cc(F)ccc1F ZINC000587141275 IG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587141305 IG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587141306 IG Annotated Anodyne COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143316 IG Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1F ZINC000587144022 IG Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2F)c1 ZINC000587144424 IG Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587145323 IG Annotated Anodyne CC1=C(c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587145325 IG Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(F)c2)c1 ZINC000587147219 IG Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4nc(C#N)c(C#N)nc4[nH]3)cc2)cc1F ZINC000587147277 IG Annotated Mild COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1 ZINC000587147920 IG Annotated Anodyne O=C1C[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148739 IG Annotated Anodyne O=C1C[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148742 IG Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)NNC(=O)C1 ZINC000587149553 IG Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)NNC(=O)C1 ZINC000587149556 IG Annotated Anodyne Nc1nc(O)c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 ZINC000587152717 IG Annotated Anodyne Oc1nc(O)c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 ZINC000587153647 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 ZINC000587154176 IG Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cn1 ZINC000587155311 IG Annotated Anodyne CCCc1nc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)nn1-c1ccccc1F ZINC000587155579 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc12 ZINC000587155794 IG Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587155986 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2n1 ZINC000587156719 IG Annotated Anodyne NC(=O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156888 IG Annotated Anodyne COC(=O)c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cn1 ZINC000587156927 IG Annotated Anodyne COC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 ZINC000587156934 IG Annotated Anodyne N=c1[nH]c2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)nc-2c(Cl)[nH]1 ZINC000587157224 IG Annotated Anodyne Oc1nc(S)nc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587157415 IG Annotated Anodyne NC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157967 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587158007 IG Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2Cl)c1 ZINC000587161297 IG Annotated Anodyne CC1=C(c2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587162133 IG Annotated Anodyne O=C1CC=C(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)NN1Cc1ccc(F)cc1 ZINC000587162328 IG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 ZINC000587163524 IG Annotated Anodyne O=C1CC=C(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)NN1Cc1ccc(F)cc1 ZINC000587164654 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587165978 IG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3nc(C#N)c(C#N)nc3[nH]2)c1C ZINC000587166126 IG Annotated Mild NS(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166192 IG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(O)nc(O)nc3[nH]2)c1C ZINC000587166332 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 ZINC000587167282 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167405 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167406 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587167495 IG Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587167702 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587167704 IG Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cn1 ZINC000587167710 IG Annotated Anodyne O=C(O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169591 IG Annotated Anodyne O=C(O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169592 IG Annotated Anodyne CN(Cc1nc2cccc(I)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169713 IG Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 ZINC000587169829 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587169869 IG Annotated Anodyne CN(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)S(=O)(=O)c1ccc(F)cc1 ZINC000587169908 IG Annotated Clean N[C@@H](N=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169945 IG Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169946 IG Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169948 IG Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169950 IG Annotated Anodyne CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170053 IG Annotated Bother CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170266 IG Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587170458 IG Annotated Bother O=[N+]([O-])c1cnc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2c1 ZINC000587170459 IG Annotated Bother CN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170869 IG Annotated Anodyne CN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170925 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587171131 IG Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587171340 IG Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587171341 IG Annotated Anodyne O=C(O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171384 IG Annotated Anodyne O=C(O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171385 IG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1 ZINC000587171403 IG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1 ZINC000587171404 IG Annotated Anodyne O=[N+]([O-])c1cncc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171488 IG Annotated Bother O=[N+]([O-])c1cncc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587171489 IG Annotated Bother O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)cc1 ZINC000587171722 IG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)cc1 ZINC000587171726 IG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587171812 IG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587171814 IG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnncc4[nH]2)cn3C2CC2)C1 ZINC000587172256 IG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnncc4[nH]2)cn3C2CC2)C1 ZINC000587172257 IG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587172524 IG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(O)c4[nH]2)cn3C2CC2)C1 ZINC000587172526 IG Annotated Anodyne Nc1nccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172579 IG Annotated Anodyne Nc1nccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172580 IG Annotated Anodyne Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587172734 IG Annotated Anodyne Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 ZINC000587172735 IG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncnc4[nH]2)cn3C2CC2)C1 ZINC000587173020 IG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncnc4[nH]2)cn3C2CC2)C1 ZINC000587173021 IG Annotated Anodyne Nc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587173447 IG Annotated Anodyne Nc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 ZINC000587173448 IG Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ncc[nH]c-4n2)cn3C2CC2)C1 ZINC000587173492 IG Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ncc[nH]c-4n2)cn3C2CC2)C1 ZINC000587173493 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587173496 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587174123 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587174125 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587174951 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 ZINC000587174952 IG Annotated Anodyne COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1OC ZINC000587178434 IG Annotated Anodyne Ic1ccc(I)c(-c2nc3cncnc3[nH]2)c1 ZINC000587178477 IG Annotated Anodyne Ic1ccc(-c2nc3cncnc3[nH]2)cc1I ZINC000587178793 IG Annotated Anodyne COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(I)c1 ZINC000587178809 IG Annotated Anodyne N#Cc1nc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2nc1C#N ZINC000587178857 IG Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587178890 IG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587178917 IG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(I)c(N)cc3OC)nc2c1 ZINC000587179116 IG Annotated Anodyne Ic1ccc(I)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000587179132 IG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587179238 IG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587179256 IG Annotated Bother Ic1ccc(I)c(-c2nc3cnncc3[nH]2)c1 ZINC000587179483 IG Annotated Anodyne Ic1ccc(-c2nc3cnncc3[nH]2)cc1I ZINC000587179496 IG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(Br)ccc2[nH]1 ZINC000587179556 IG Annotated Anodyne Ic1ccc(-c2nc3ncc[nH]c-3n2)cc1I ZINC000587179584 IG Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179630 IG Annotated Anodyne Cn1nc(-c2nc3ccc(Br)cc3[nH]2)c(I)c1C(=O)O ZINC000587179638 IG Annotated Anodyne Cn1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(I)c1C(=O)O ZINC000587180077 IG Annotated Anodyne CC(C)Oc1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587180163 IG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 ZINC000587180203 IG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(C(=O)OC)cc2[nH]1 ZINC000587180254 IG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cnc(C(=O)OC)cc2[nH]1 ZINC000587180255 IG Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4c(I)c(C(=O)O)nn4C)nc32)n1 ZINC000587180320 IG Annotated Anodyne Cn1nc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1C(=O)O ZINC000587180368 IG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C(=O)OC)ccc2[nH]1 ZINC000587180572 IG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(C(=O)OC)ccc2[nH]1 ZINC000587180573 IG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587180580 IG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587180581 IG Annotated Anodyne Cn1nc(-c2nc3cccc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180735 IG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587180979 IG Annotated Mild COc1cc(N)c(I)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587181296 IG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 ZINC000587181440 IG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 ZINC000587181441 IG Annotated Anodyne Cc1ccc2c(ccc3nc(-c4nn(C)c(C(=O)O)c4I)[nH]c32)n1 ZINC000587181657 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587181724 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cnc2[nH]1 ZINC000587181725 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587181759 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)nc2[nH]1 ZINC000587181760 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587181790 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587181791 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587181885 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(Br)ccnc2[nH]1 ZINC000587181886 IG Annotated Anodyne Cc1cc(Br)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182015 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587182128 IG Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587182129 IG Annotated Bother Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 ZINC000587182145 IG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1OC ZINC000587182256 IG Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1OC ZINC000587182259 IG Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587182269 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587182329 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587182708 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)ncc2[nH]1 ZINC000587182709 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182847 IG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182853 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587183128 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cncc(Br)c2[nH]1 ZINC000587183130 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2cc1OC ZINC000587183138 IG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](C)n3ncc(I)c3C)nc2cc1OC ZINC000587183140 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(I)ccc3F)[nH]c12 ZINC000587183188 IG Annotated Anodyne Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Br ZINC000587183190 IG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587183274 IG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccnc(Br)c2[nH]1 ZINC000587183275 IG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587183281 IG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587183297 IG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)n1 ZINC000587183412 IG Annotated Anodyne Cc1c(Br)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587183423 IG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587183717 IG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587183718 IG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587183999 IG Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587184000 IG Annotated Bother Ic1cncc(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587184146 IG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1I ZINC000587184380 IG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)n1 ZINC000587184551 IG Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184631 IG Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184632 IG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587184739 IG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587184740 IG Annotated Anodyne CC[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185000 IG Annotated Anodyne CC[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185001 IG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cncc(I)c3)nc-2[nH]1 ZINC000587185014 IG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587185136 IG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1I ZINC000587185472 IG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587185523 IG Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n1 ZINC000587185673 IG Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc(I)c(C)n1 ZINC000587185728 IG Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc(I)c(C)n1 ZINC000587185730 IG Annotated Anodyne CC[C@H](c1nc2c(S)nc(S)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185731 IG Annotated Anodyne CC[C@@H](c1nc2c(S)nc(S)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587185732 IG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587185760 IG Annotated Anodyne CC[C@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185764 IG Annotated Anodyne CC[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185765 IG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587185769 IG Annotated Anodyne Clc1ncc(Br)c2nc(-c3nccnc3I)[nH]c12 ZINC000587186008 IG Annotated Anodyne Ic1nccnc1-c1nc2cccc(I)c2[nH]1 ZINC000587186011 IG Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nccnc3I)nc1-2 ZINC000587186045 IG Annotated Anodyne Clc1c(Br)cnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186269 IG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186333 IG Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 ZINC000587186341 IG Annotated Bother O=C(O)c1nn(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1I ZINC000587186543 IG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1I ZINC000587186584 IG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186705 IG Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186714 IG Annotated Mild COC(=O)c1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1OC ZINC000587186987 IG Annotated Anodyne FC(F)(F)c1ncc2nc(-c3ccc4ncc(I)n4c3)nc-2[nH]1 ZINC000587187125 IG Annotated Anodyne O=C1CCc2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc2N1 ZINC000587187415 IG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1OC ZINC000587188140 IG Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188811 IG Annotated Anodyne C=C(CN(C)C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587189419 IG Annotated Mild CN(CCO)c1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 ZINC000587192774 IG Annotated Clean O=C(O)CCN(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Cc1ccccc1 ZINC000587193177 IG Annotated Anodyne C#CCN(Cc1nc2c(O)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193398 IG Annotated Mild O=C(O)CCN(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Cc1ccccc1 ZINC000587193420 IG Annotated Anodyne C#CCN(Cc1nc2c(O)nc(O)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193707 IG Annotated Mild C#CCN(Cc1nc2cnnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194018 IG Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(I)cnc2[nH]1 ZINC000587194092 IG Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(I)cnc2[nH]1 ZINC000587194093 IG Annotated Anodyne CN(CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194577 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 ZINC000587195410 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cnc(N(C)C)nc4C)[nH]c3c2)cc1 ZINC000587195949 IG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587196990 IG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587196991 IG Annotated Anodyne CN(C)C(=O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587197112 IG Annotated Anodyne CN1CCN(c2ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587197533 IG Annotated Anodyne CN1CCN(c2ccc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587197537 IG Annotated Anodyne CC1=C(c2ccc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587197971 IG Annotated Anodyne CC1=C(c2ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587197976 IG Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587197999 IG Annotated Anodyne C[C@@H](c1nc2c(O)nc(N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199925 IG Annotated Anodyne CC(C)COc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202045 IG Annotated Anodyne CC(C)COc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587202046 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587202764 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587202767 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587202878 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587202883 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587203047 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587203048 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 ZINC000587204676 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587204726 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587204727 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587204732 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587204733 IG Annotated Anodyne CCCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587204876 IG Annotated Anodyne CCCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br ZINC000587204877 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587204890 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587204891 IG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587204900 IG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587204901 IG Annotated Anodyne O=C(O)CNS(=O)(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 ZINC000587208654 IG Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212238 IG Annotated Anodyne COc1ccc([C@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212241 IG Annotated Anodyne COc1ccc([C@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212243 IG Annotated Anodyne COc1ccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587212245 IG Annotated Anodyne COc1cccc([C@@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587213027 IG Annotated Anodyne COc1cccc([C@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587213030 IG Annotated Anodyne COc1cccc([C@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587213035 IG Annotated Anodyne COc1cccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 ZINC000587213038 IG Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1CC4)[C@]1(O)C=CO[C@@H]1O2 ZINC000587216208 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216361 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216363 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216702 IG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 ZINC000587216703 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224927 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 ZINC000587224930 IG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587225090 IG Annotated Clean C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587225092 IG Annotated Clean CCOC(=O)Cc1ccc2nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c2c1 ZINC000587225182 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587225937 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587225941 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc2c1 ZINC000587226240 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc2c1 ZINC000587226242 IG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587226687 IG Annotated Anodyne Nc1ccc(Oc2ccc3nc(CNC(=O)CNC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587227307 IG Annotated Clean O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587227814 IG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587227830 IG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000587227886 IG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000587228178 IG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(Br)c3[nH]2)c1 ZINC000587229764 IG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 ZINC000587230080 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587230094 IG Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587230096 IG Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587230097 IG Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587230098 IG Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C#N)cc(Cl)c3[nH]2)c1 ZINC000587230110 IG Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc4nc(C)ccc4c3[nH]2)c1 ZINC000587230216 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587230528 IG Annotated Clean COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587230529 IG Annotated Clean COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587230531 IG Annotated Clean COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587230535 IG Annotated Clean CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c12 ZINC000587230612 IG Annotated Mild CCNC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587230843 IG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 ZINC000587230881 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587231265 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587231266 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587231267 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587231268 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587231551 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587231559 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587231560 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587231561 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587231790 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587231791 IG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587231792 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587231793 IG Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587231813 IG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 ZINC000587231850 IG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232074 IG Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232075 IG Annotated Bother COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232076 IG Annotated Bother COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587232077 IG Annotated Bother COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 ZINC000587232298 IG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C2CC2)n1 ZINC000587232358 IG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 ZINC000587232459 IG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C2CC2)n1 ZINC000587232642 IG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC(=O)CC1 ZINC000587234141 IG Annotated Anodyne CC1=C(c2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587234505 IG Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587234986 IG Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587234987 IG Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587234988 IG Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587234989 IG Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c2)c1 ZINC000587236525 IG Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 ZINC000587236540 IG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC(O)CC1 ZINC000587237535 IG Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 ZINC000587238030 IG Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 ZINC000587238032 IG Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 ZINC000587238033 IG Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 ZINC000587238034 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238822 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238823 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238824 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238825 IG Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2n1 ZINC000587239645 IG Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 ZINC000587239646 IG Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 ZINC000587239647 IG Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2n1 ZINC000587239648 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239657 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239659 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239660 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239661 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc12 ZINC000587239932 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc12 ZINC000587239933 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc12 ZINC000587239934 IG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc12 ZINC000587239936 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240762 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240763 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240764 IG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240765 IG Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(O)c1 ZINC000587241195 IG Annotated Anodyne COC(=O)Nc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cn1 ZINC000587244326 IG Annotated Anodyne NCCOCCOCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587246220 IG Annotated Anodyne NCCOCCOCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587246552 IG Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CC[C@@H](N)C3)nc1-2 ZINC000587246703 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc2c1 ZINC000587247237 IG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(N)CCc4cc(OC)ccc4C3)nc2c1 ZINC000587247238 IG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)C2 ZINC000587247818 IG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)C2 ZINC000587247820 IG Annotated Anodyne Nc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1CC(=O)O ZINC000587249875 IG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587250218 IG Annotated Anodyne Nc1cc(C(=O)O)ccc1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587250353 IG Annotated Anodyne Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1CC(=O)O ZINC000587250714 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1 ZINC000587254470 IG Annotated Anodyne N[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1COC1 ZINC000587255898 IG Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587256326 IG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 ZINC000587256668 IG Annotated Anodyne C=CC[C@@](C)(N)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587257808 IG Annotated Mild NC(=O)c1cccc(C[C@H](N)c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587258939 IG Annotated Anodyne CC(C)[C@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587258980 IG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])nc2c1 ZINC000587259347 IG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 ZINC000587259349 IG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])nc2c1 ZINC000587259352 IG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])nc2c1 ZINC000587259355 IG Annotated Bother NC(=O)NCCC[C@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587259443 IG Annotated Anodyne CC1=C(c2ccc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587259980 IG Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260764 IG Annotated Bother COc1cc(-c2nc3cc(I)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260984 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2c1 ZINC000587261075 IG Annotated Bother COCCNc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] ZINC000587261380 IG Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587261400 IG Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587261460 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587261468 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000587261524 IG Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(I)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261553 IG Annotated Mild O=CC(C=O)c1ccc(-c2nc3cccc(I)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261816 IG Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587261923 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587261928 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587261954 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587261955 IG Annotated Bother O=CC(C=O)c1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587261999 IG Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587262269 IG Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000587262275 IG Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] ZINC000587262286 IG Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262607 IG Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587262615 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Br)nc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262628 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262721 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Br)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262910 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)ccc1[N+](=O)[O-] ZINC000587262915 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccnc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262992 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cncc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263145 IG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(C(F)(F)F)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263306 IG Annotated Bother COc1cc(OCc2nc3cc(I)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263391 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587263470 IG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587263471 IG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587263494 IG Annotated Clean C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587263504 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587263505 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587263506 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587263507 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263521 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263522 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263523 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587263524 IG Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263574 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587263603 IG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587263786 IG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587263789 IG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2c1 ZINC000587263790 IG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2c1 ZINC000587263791 IG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263830 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587263831 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587263832 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587263833 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587263834 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 ZINC000587263852 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 ZINC000587263853 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 ZINC000587263854 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Br)c2[nH]1 ZINC000587263855 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587263894 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587263895 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587263897 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587263899 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 ZINC000587264044 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 ZINC000587264045 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 ZINC000587264046 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Br)ccnc2[nH]1 ZINC000587264047 IG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587264081 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587264290 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587264291 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587264292 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587264293 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 ZINC000587264332 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 ZINC000587264333 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 ZINC000587264334 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)cnc2[nH]1 ZINC000587264335 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 ZINC000587264923 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 ZINC000587264925 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 ZINC000587264926 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Br)nc2[nH]1 ZINC000587264927 IG Annotated Bother COCCOc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1[N+](=O)[O-] ZINC000587265166 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 ZINC000587265529 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 ZINC000587265531 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 ZINC000587265533 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Br)ncc2[nH]1 ZINC000587265534 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587265747 IG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587265752 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587265849 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587265852 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587265856 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587265859 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265943 IG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587266001 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 ZINC000587266111 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 ZINC000587266112 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 ZINC000587266113 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Br)c2[nH]1 ZINC000587266114 IG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266157 IG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266169 IG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587266172 IG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587266175 IG Annotated Bother CC1=C(c2ccc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587266273 IG Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266390 IG Annotated Bother CCOC(=O)Cc1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266392 IG Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2c1 ZINC000587266393 IG Annotated Bother CCOC(=O)Cc1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2c1 ZINC000587266394 IG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587266410 IG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587266531 IG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587266891 IG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587266892 IG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587266895 IG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587266896 IG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587267490 IG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587267491 IG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587267843 IG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587268540 IG Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587268854 IG Annotated Bother CN(C)CCOc1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000587268883 IG Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587269249 IG Annotated Bother Cc1c(Br)ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587269500 IG Annotated Bother N[C@@H](CCc1nc2ccc(F)c(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269540 IG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587269549 IG Annotated Bother Cc1cc(Br)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587269949 IG Annotated Bother N#Cc1cc(Br)c2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587270078 IG Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c21 ZINC000587270096 IG Annotated Clean O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)nn2)c1 ZINC000587270109 IG Annotated Bother COC(=O)c1cc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1OC ZINC000587270123 IG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)nn2)c1 ZINC000587270170 IG Annotated Bother COC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1OC ZINC000587270300 IG Annotated Bother N[C@@H](CCc1nc2cc(Br)cc(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270473 IG Annotated Bother Cc1cc(Br)cc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587270559 IG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(I)cc4[nH]3)nn2)c1 ZINC000587270616 IG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)nn2)c1 ZINC000587270622 IG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(I)c4[nH]3)nn2)c1 ZINC000587270735 IG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587270907 IG Annotated Bother N[C@@H](CCc1nc2cc(F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270912 IG Annotated Bother N[C@@H](CCc1nc2ccc(Br)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271044 IG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587271713 IG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587272209 IG Annotated Bother CC[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O ZINC000587272845 IG Annotated Anodyne CC[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O ZINC000587272847 IG Annotated Anodyne C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587273039 IG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587273041 IG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587273413 IG Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587273433 IG Annotated Bother CCn1ncc(Br)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273521 IG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587273988 IG Annotated Bother O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H](Br)CBr ZINC000587274369 IG Annotated Reactive O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Br)CBr ZINC000587274373 IG Annotated Reactive O=C(CCCN1C(=O)c2ccccc2C1=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274386 IG Annotated Anodyne O=[N+]([O-])c1ccn(CCCc2nc3c(Br)cnc(Br)c3[nH]2)n1 ZINC000587274390 IG Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587274873 IG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587275289 IG Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000587275290 IG Annotated Bother Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275403 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275404 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275405 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(S(N)(=O)=O)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275406 IG Annotated Clean O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000587275513 IG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000587275516 IG Annotated Anodyne COc1cccc(N2C[C@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)c1 ZINC000587275607 IG Annotated Anodyne COc1cccc(N2C[C@@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)c1 ZINC000587275609 IG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587276008 IG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000587276057 IG Annotated Anodyne Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)nnn1Cc1ccccc1 ZINC000587276328 IG Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276346 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276349 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276350 IG Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(N)(=O)=O)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276351 IG Annotated Clean O=C(CCS(=O)(=O)c1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276519 IG Annotated Anodyne O=C(c1cccc(S(=O)(=O)Cl)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276796 IG Annotated Unstable COc1ccc(N2C[C@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)cc1 ZINC000587277057 IG Annotated Anodyne COc1ccc(N2C[C@@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)cc1 ZINC000587277058 IG Annotated Anodyne C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587277152 IG Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587277153 IG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587277508 IG Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3c2)cc1 ZINC000587277509 IG Annotated Bother COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320610 IG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320618 IG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320621 IG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320624 IG Annotated Reactive Nc1nccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587323923 IG Annotated Reactive Nc1nccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587323924 IG Annotated Reactive Nc1nccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587323925 IG Annotated Reactive Nc1nccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587323926 IG Annotated Reactive Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(N)=O ZINC000587325416 IG Annotated Reactive Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(N)=O ZINC000587325417 IG Annotated Reactive Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O ZINC000587325418 IG Annotated Reactive Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(N)=O ZINC000587325419 IG Annotated Reactive CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329171 IG Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329181 IG Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329183 IG Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329185 IG Annotated Anodyne Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329954 IG Annotated Anodyne Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329955 IG Annotated Anodyne Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329956 IG Annotated Anodyne Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329957 IG Annotated Anodyne Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329958 IG Annotated Anodyne Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329959 IG Annotated Anodyne Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329960 IG Annotated Anodyne Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329961 IG Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332231 IG Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332234 IG Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332235 IG Annotated Anodyne NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332236 IG Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333197 IG Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333204 IG Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333207 IG Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333209 IG Annotated Anodyne O=C(O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335970 IG Annotated Anodyne O=C(O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335985 IG Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335988 IG Annotated Anodyne O=C(O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587335991 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336164 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336167 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336168 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336170 IG Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337467 IG Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337472 IG Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337476 IG Annotated Anodyne NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337479 IG Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338199 IG Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338200 IG Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338202 IG Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338203 IG Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338800 IG Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338802 IG Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338803 IG Annotated Anodyne NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338805 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339108 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339121 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339125 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339131 IG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000587339133 IG Annotated Mild O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587339136 IG Annotated Mild O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000587339137 IG Annotated Mild O=C1Oc2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1[N+](=O)[O-] ZINC000587339138 IG Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339749 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339752 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339754 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339757 IG Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587339806 IG Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 ZINC000587339810 IG Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587339811 IG Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 ZINC000587339813 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342506 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342508 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342510 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342511 IG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587343445 IG Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587343447 IG Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587343449 IG Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587343450 IG Annotated Bother CN1C(=O)[C@H]([N+](=O)[O-])[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343534 IG Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343537 IG Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343539 IG Annotated Mild CN1C(=O)[C@H]([N+](=O)[O-])[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343541 IG Annotated Mild COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343871 IG Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343877 IG Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343878 IG Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343880 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344066 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344077 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344080 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344083 IG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346041 IG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346042 IG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346045 IG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346047 IG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346589 IG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346590 IG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346592 IG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346593 IG Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)[C@H]1C(=O)O ZINC000587347354 IG Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)[C@H]1C(=O)O ZINC000587347357 IG Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)[C@H]1C(=O)O ZINC000587347362 IG Annotated Anodyne O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)[C@H]1C(=O)O ZINC000587347365 IG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cnccn3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587347838 IG Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)c3cnccn3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587347840 IG Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347995 IG Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348003 IG Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348006 IG Annotated Anodyne C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348009 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351256 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351257 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351258 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351259 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352324 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352326 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352328 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352330 IG Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352548 IG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352558 IG Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352559 IG Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352560 IG Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587352562 IG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587352563 IG Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587354094 IG Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587354101 IG Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587354102 IG Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587354103 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354122 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354124 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354126 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354128 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360122 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360127 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360129 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360130 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360133 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360134 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360135 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360136 IG Annotated Anodyne CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587365068 IG Annotated Reactive CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2cc3c(O)nc(O)nc3nc21 ZINC000587365069 IG Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3nc(O)nc(O)c3cc12 ZINC000587366108 IG Annotated Reactive C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369359 IG Annotated Anodyne C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369360 IG Annotated Anodyne C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369361 IG Annotated Anodyne C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369362 IG Annotated Anodyne CS(=O)(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369942 IG Annotated Anodyne CS(=O)(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369943 IG Annotated Anodyne CS(=O)(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369944 IG Annotated Anodyne CS(=O)(=O)NC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369945 IG Annotated Anodyne COCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 ZINC000587370112 IG Annotated Anodyne COCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 ZINC000587370189 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(N)=O)c3ccc(Br)cc13)O2 ZINC000587370265 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(N)=O)c3ccc(Br)cc13)O2 ZINC000587370266 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCN(C)CC1)(c1ccc(Br)cc1)O2 ZINC000587370273 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCN(C)CC1)(c1ccc(Br)cc1)O2 ZINC000587370274 IG Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370780 IG Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370783 IG Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370784 IG Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370785 IG Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587370924 IG Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587370926 IG Annotated Anodyne C[C@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370955 IG Annotated Anodyne C[C@@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370956 IG Annotated Anodyne C[C@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370959 IG Annotated Anodyne C[C@@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370961 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587370991 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CCN1C(=O)c3ccccc3C1=O)O2 ZINC000587370998 IG Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CNS(=O)(=O)c3ccsc32)[C@H]1c1ccc(F)cc1 ZINC000587371591 IG Annotated Anodyne COCCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587371595 IG Annotated Anodyne COCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587371597 IG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CNS(=O)(=O)c3ccsc32)[C@H]1c1ccc(F)cc1 ZINC000587371601 IG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CNS(=O)(=O)c3ccsc32)[C@@H]1c1ccc(F)cc1 ZINC000587371605 IG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CNS(=O)(=O)c3ccsc32)[C@@H]1c1ccc(F)cc1 ZINC000587371609 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372682 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372690 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCN(C)C)c2ccc(Br)cc21 ZINC000587373338 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCN(C)C)c2ccc(Br)cc21 ZINC000587373346 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCNCC1)(c1ccc(Br)cc1)O2 ZINC000587374910 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCNCC1)(c1ccc(Br)cc1)O2 ZINC000587374920 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)O2 ZINC000587376504 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)O2 ZINC000587376512 IG Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(N)=O ZINC000587378559 IG Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(N)=O ZINC000587378560 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)O2 ZINC000587379926 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)O2 ZINC000587379927 IG Annotated Anodyne COc1ccc(Cl)cc1[C@@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379966 IG Annotated Anodyne COc1ccc(Cl)cc1[C@@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379967 IG Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379968 IG Annotated Anodyne COc1ccc(Cl)cc1[C@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587379969 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 ZINC000587380126 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 ZINC000587380127 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 ZINC000587380128 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 ZINC000587380129 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(-c3noc(CN4CCOCC4)n3)c1)O2 ZINC000587381306 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(-c3noc(CN4CCOCC4)n3)c1)O2 ZINC000587381307 IG Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587381779 IG Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587381780 IG Annotated Anodyne CCO[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587381781 IG Annotated Anodyne CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587381782 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381982 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381985 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(c3cccc(C(F)(F)F)c3)N=C1C(=O)O)O2 ZINC000587382739 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)N(c3cccc(C(F)(F)F)c3)N=C1C(=O)O)O2 ZINC000587382740 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(CC(F)(F)F)CC3)s1)O2 ZINC000587383508 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(CC(F)(F)F)CC3)s1)O2 ZINC000587383510 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)O2 ZINC000587384467 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCN(C(=O)CCl)CC3)c(F)c1)O2 ZINC000587384468 IG Annotated Reactive COC(=O)c1cc(I)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[nH]1 ZINC000587385211 IG Annotated Anodyne COC(=O)c1cc(I)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[nH]1 ZINC000587385212 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)O2 ZINC000587385376 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)O2 ZINC000587385381 IG Annotated Anodyne CNc1ccc(NCCO)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587385883 IG Annotated Clean CNc1ccc(NCCO)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O ZINC000587385900 IG Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386828 IG Annotated Clean CNc1ccc(NCCO)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386829 IG Annotated Clean CC(=O)OCCN(CCOC(C)=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388275 IG Annotated Anodyne CC(=O)OCCN(CCOC(C)=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388276 IG Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587389632 IG Annotated Bother CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587389634 IG Annotated Bother CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587389635 IG Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587389636 IG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 ZINC000587391656 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 ZINC000587391669 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 ZINC000587391671 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 ZINC000587391672 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 ZINC000587392424 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 ZINC000587392425 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(O[C@@H](C)C(=O)NN)cc1)O2 ZINC000587392426 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(O[C@H](C)C(=O)NN)cc1)O2 ZINC000587392427 IG Annotated Reactive COC(=O)C(=O)C[C@]1(c2cnn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392675 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392676 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C1)O2 ZINC000587392993 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)N3CCN(C(=O)OC(C)(C)C)[C@H](C)C3)C1)O2 ZINC000587393743 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)O2 ZINC000587395310 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)O2 ZINC000587395312 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c1=O)O2 ZINC000587395314 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)O2 ZINC000587395315 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)O2 ZINC000587395400 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)O2 ZINC000587395402 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@@H](C)C3)nc3c(C)cccn3c1=O)O2 ZINC000587395403 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)O2 ZINC000587395404 IG Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395487 IG Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395488 IG Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395489 IG Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395490 IG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396162 IG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396166 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396170 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396172 IG Annotated Anodyne COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396636 IG Annotated Anodyne COC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396637 IG Annotated Anodyne COC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396638 IG Annotated Anodyne COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396639 IG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397241 IG Annotated Anodyne CCOC(=O)C[C@@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397242 IG Annotated Anodyne CCOC(=O)C[C@@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397243 IG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587397244 IG Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397264 IG Annotated Anodyne CC[C@@H]1[C@@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397265 IG Annotated Anodyne CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397266 IG Annotated Anodyne CC[C@@H]1[C@@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587397267 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N3CCNCC3)cccc21 ZINC000587397498 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(N3CCNCC3)cccc21 ZINC000587397499 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398387 IG Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398388 IG Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398389 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587398390 IG Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 ZINC000587398394 IG Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 ZINC000587398395 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)O2 ZINC000587398876 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3N/C1=C/N1CCOCC1)O2 ZINC000587398880 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)O2 ZINC000587398881 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3N/C1=C/N1CCOCC1)O2 ZINC000587398882 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587398942 IG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399568 IG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399573 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)c1ccccc1)C2 ZINC000587399641 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23CC(=O)c2cc(C)cc(N)c2O3)N1C(=O)OC(C)(C)C ZINC000587400515 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23CC(=O)c2cc(C)cc(N)c2O3)N1C(=O)OC(C)(C)C ZINC000587400516 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401649 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401650 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401651 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 ZINC000587401652 IG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc(O)c(O)c1O2 ZINC000587402104 IG Annotated Clean CC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccc(O)c(O)c1O2 ZINC000587402105 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(N3CCNCC3)c21 ZINC000587402384 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(N3CCNCC3)c21 ZINC000587402385 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 ZINC000587403902 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 ZINC000587403903 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 ZINC000587405386 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 ZINC000587405388 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 ZINC000587406085 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 ZINC000587406086 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@]12CC(=O)c1cc(C)cc(N)c1O2)OCC(C)(C)CO3 ZINC000587406735 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12CC(=O)c1cc(C)cc(N)c1O2)OCC(C)(C)CO3 ZINC000587406736 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@@]12CC(=O)c1cc(C)cc(N)c1O2)OCC(C)(C)CO3 ZINC000587406737 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12CC(=O)c1cc(C)cc(N)c1O2)OCC(C)(C)CO3 ZINC000587406738 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587407228 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587407231 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 ZINC000587407233 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 ZINC000587407236 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O ZINC000587407608 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1O ZINC000587407610 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1O ZINC000587407612 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O ZINC000587407613 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587407783 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587407787 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587407790 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2cc(O)ccc21 ZINC000587407793 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)OCCOCCOCCOCCO3)O2 ZINC000587408226 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)OCCOCCOCCOCCO3)O2 ZINC000587408228 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)O2 ZINC000587408910 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CC(=O)N3CCOCC3)s1)O2 ZINC000587408918 IG Annotated Reactive Cc1ccc(S(=O)(=O)C[C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409222 IG Annotated Reactive Cc1ccc(S(=O)(=O)C[C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587409226 IG Annotated Reactive COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nnnn1C ZINC000587409550 IG Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nnnn1C ZINC000587409554 IG Annotated Anodyne CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409781 IG Annotated Anodyne CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409788 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)O2 ZINC000587410010 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc(C)cc(O)n1)(c1ccc(O)c(O)c1)O2 ZINC000587410011 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)O2 ZINC000587410343 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)C[C@@H](C)N3S(C)(=O)=O)O2 ZINC000587410344 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)O2 ZINC000587410345 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)C[C@H](C)N3S(C)(=O)=O)O2 ZINC000587410346 IG Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587410371 IG Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@]3(CCl)CC(=O)c4cc(C)cc(N)c4O3)ccc21 ZINC000587410372 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)O2 ZINC000587410388 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc3c(c1)CCCN3S(C)(=O)=O)O2 ZINC000587410389 IG Annotated Reactive Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 ZINC000587410441 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587410443 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587410444 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n([C@@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587410445 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n([C@H]3CCS(=O)(=O)C3)c1C)O2 ZINC000587410446 IG Annotated Reactive Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 ZINC000587410447 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587411395 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587411398 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587411400 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587411403 IG Annotated Clean COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587411708 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587411896 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587412788 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587412789 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 ZINC000587412790 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1 ZINC000587412791 IG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 ZINC000587413064 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587413066 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000587413068 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 ZINC000587413071 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)NC(=O)[C@H](C)O4)[C@@H](C2)C3=O ZINC000587413282 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)NC(=O)[C@@H](C)O4)[C@@H](C2)C3=O ZINC000587413283 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)NC(=O)[C@@H](C)O4)[C@@H](C2)C3=O ZINC000587413284 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)NC(=O)[C@H](C)O4)[C@@H](C2)C3=O ZINC000587413285 IG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587414534 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587414537 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587414542 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587414548 IG Annotated Anodyne COC(=O)c1cc([C@@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587414651 IG Annotated Reactive COC(=O)c1cc([C@]2(CBr)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O ZINC000587414653 IG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587415028 IG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587415030 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)O2 ZINC000587415762 IG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)O2 ZINC000587415763 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416491 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416494 IG Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587416515 IG Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587416517 IG Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587416519 IG Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587416522 IG Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416527 IG Annotated Anodyne COC(=O)COc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416529 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(Br)cnc1Br)[C@@H](C2)C3=O ZINC000587416730 IG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(Br)cnc1Br)[C@@H](C2)C3=O ZINC000587416731 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 ZINC000587416791 IG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 ZINC000587416792 IG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 ZINC000587416793 IG Annotated Anodyne COC(=O)[C@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 ZINC000587416794 IG Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587416799 IG Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587416800 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C#N)c(O)nc4CC[C@H]1Br)[C@@H](C2)C3=O ZINC000587416847 IG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4cc(C#N)c(O)nc4CC[C@H]1Br)[C@@H](C2)C3=O ZINC000587416848 IG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4cc(C#N)c(O)nc4CC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587416849 IG Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4cc(C#N)c(O)nc4CC[C@@H]1Br)[C@@H](C2)C3=O ZINC000587416850 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417413 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417420 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417438 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417440 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(N)=O)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417482 IG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(N)=O)c4ccc(Br)cc14)[C@@H](C2)C3=O ZINC000587417485 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417674 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587417675 IG Annotated Anodyne COCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(Br)cc21 ZINC000587417902 IG Annotated Anodyne COCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(Br)cc21 ZINC000587417904 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418841 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418854 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419031 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419032 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419037 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419038 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419163 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419165 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419166 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419167 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(Br)c(Br)n1C)[C@@H](C2)C3=O ZINC000587419731 IG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(Br)c(Br)n1C)[C@@H](C2)C3=O ZINC000587419732 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCNCC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419969 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCNCC1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587419971 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420305 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420318 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1Br)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587420550 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1Br)NC(=O)CO4)[C@@H](C2)C3=O ZINC000587420564 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(CC(F)(F)F)CC4)s1)[C@@H](C2)C3=O ZINC000587420640 IG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(CC(F)(F)F)CC4)s1)[C@@H](C2)C3=O ZINC000587420656 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420889 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587420892 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420969 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587420971 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)[C@@H](C2)C3=O ZINC000587421688 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)[C@@H](C2)C3=O ZINC000587421690 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422023 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587422027 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422464 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587422467 IG Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587423665 IG Annotated Anodyne CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587423672 IG Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587423678 IG Annotated Anodyne CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@]12CCCN(C(=O)C(F)(F)F)C2 ZINC000587423681 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423758 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423759 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587423807 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587423814 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O ZINC000587423816 IG Annotated 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CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441069 IG Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441072 IG Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587441074 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587441163 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587441164 IG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC(C(=O)O)C[C@H]1CN(C(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587441201 IG Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCN1CCOCC1 ZINC000587441534 IG Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCN1CCOCC1 ZINC000587441536 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441560 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587441563 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587441665 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O ZINC000587441667 IG Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](CN1CCOCC1)CC2 ZINC000587442257 IG Annotated Anodyne CCc1c(C)[nH]c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](CN1CCOCC1)CC2 ZINC000587442263 IG Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](CN1CCOCC1)CC2 ZINC000587442267 IG Annotated Anodyne CCc1c(C)[nH]c2c1[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](CN1CCOCC1)CC2 ZINC000587442273 IG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443258 IG Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443262 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443940 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443941 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443942 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 ZINC000587443943 IG Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444149 IG Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587444168 IG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445115 IG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445116 IG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4CC(C(=O)O)C[C@H]1CN(C(=O)c1ccccc1)C4)[C@@H](C2)C3=O ZINC000587445283 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445630 IG Annotated Anodyne COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445631 IG Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445632 IG Annotated Anodyne COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445633 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)N1C(=O)OC(C)(C)C ZINC000587445706 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)N1C(=O)OC(C)(C)C ZINC000587445709 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(C#N)c(=O)n(C4CC4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587445755 IG Annotated Mild COc1cc2c3c(c1)O[C@](c1cc(C#N)c(=O)n(C4CC4)c1)(c1ccccc1O)[C@@H](C2)C3=O ZINC000587445758 IG Annotated Mild COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587447410 IG Annotated Unstable COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)[C@@H](C2)C3=O ZINC000587447427 IG Annotated Unstable COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4c(O)cc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587448245 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4c(O)cc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587448246 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448324 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448326 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCCN4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448403 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCCN4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448416 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448440 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448441 IG Annotated Reactive COc1cc2c3c(c1)O[C@]1(CCC=C(NNS(=O)(=O)c4ccc(C)cc4)C1)[C@@H](C2)C3=O ZINC000587448484 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC=C(NNS(=O)(=O)c4ccc(C)cc4)C1)[C@@H](C2)C3=O ZINC000587448585 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448604 IG Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448605 IG Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448606 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587448607 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CC(=O)N4CCOCC4)s1)[C@@H](C2)C3=O ZINC000587448686 IG Annotated Reactive COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587448688 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CC(=O)N4CCOCC4)s1)[C@@H](C2)C3=O ZINC000587448689 IG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4cc(C)cc(O)c4C(=O)c4c(O)cc(O)cc41)[C@@H](C2)C3=O ZINC000587448802 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(C)cc(O)c4C(=O)c4c(O)cc(O)cc41)[C@@H](C2)C3=O ZINC000587448804 IG Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587449019 IG Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587449030 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(C)cc4C(=O)c4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587449307 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)cc(C)cc4C(=O)c4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587449310 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587449675 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(CS(=O)(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587449678 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587449856 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587449857 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587449858 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587449859 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450098 IG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450100 IG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)C[C@@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450102 IG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(N4CCSCC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587450105 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)C[C@@H](C)N4S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587450106 IG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(N4CCSCC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O ZINC000587450108 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587450299 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587450301 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587450741 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587450744 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCS(=O)(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587451034 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCS(=O)(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587451035 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCc4ccco4)cc1)[C@@H](C2)C3=O ZINC000587451327 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCc4ccco4)cc1)[C@@H](C2)C3=O ZINC000587451328 IG Annotated Anodyne CCN(c1ccc([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)S(C)(=O)=O ZINC000587451479 IG Annotated Reactive CCN(c1ccc([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1)S(C)(=O)=O ZINC000587451481 IG Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587451672 IG Annotated Reactive CCS(=O)(=O)N1CCc2cc([C@]3(CCl)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)ccc21 ZINC000587451675 IG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587451892 IG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587451897 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587451900 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587451905 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4c(O)cccc4C(=O)c4cc(C(=O)O)cc(O)c41)[C@@H](C2)C3=O ZINC000587453047 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(O)cccc4C(=O)c4cc(C(=O)O)cc(O)c41)[C@@H](C2)C3=O ZINC000587453049 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1cc(OC)cc4c1C(=O)[C@H]2C4)OCC(C)(C)CO3 ZINC000587453642 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@]12Oc1cc(OC)cc4c1C(=O)[C@H]2C4)OCC(C)(C)CO3 ZINC000587453649 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@]12Oc1cc(OC)cc4c1C(=O)[C@H]2C4)OCC(C)(C)CO3 ZINC000587453651 IG Annotated Anodyne COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@@]12Oc1cc(OC)cc4c1C(=O)[C@H]2C4)OCC(C)(C)CO3 ZINC000587453653 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CSc4nnnn4C)c1)[C@@H](C2)C3=O ZINC000587454418 IG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CSc4nnnn4C)c1)[C@@H](C2)C3=O ZINC000587454419 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4S(=O)(=O)c4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587454447 IG Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4S(=O)(=O)c4cc(C#N)ccc41)[C@@H](C2)C3=O ZINC000587454448 IG Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587455048 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587455049 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587455050 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O ZINC000587455051 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455267 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455268 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455269 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587455270 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455463 IG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455464 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455465 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587455466 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456423 IG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456425 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456427 IG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587456430 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(O)c(C(N)=O)c1)CC2=O ZINC000587456987 IG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(O)c(C(N)=O)c1)CC2=O ZINC000587456989 IG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(O)cc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587457178 IG Annotated Clean COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(O)cc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587457179 IG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(O)cc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587457180 IG Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(O)cc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O ZINC000587457181 IG Annotated Clean CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(NC(C)=O)nn1)CC2=O ZINC000587457225 IG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(NC(C)=O)nn1)CC2=O ZINC000587457226 IG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CF)([C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC2=O ZINC000587466554 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CF)([C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC2=O ZINC000587466555 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC)cc1F)CC2=O ZINC000587467033 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)cc1F)CC2=O ZINC000587467034 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccccc1F)CC2=O ZINC000587467472 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1F)CC2=O ZINC000587467473 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)CC2=O ZINC000587467934 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)CC2=O ZINC000587467939 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587468105 IG Annotated Bother CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1[N+](=O)[O-])CC2=O ZINC000587468107 IG Annotated Bother CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)CC2=O ZINC000587468593 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)CC2=O ZINC000587468602 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587469613 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587469621 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)CC2=O ZINC000587472184 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)CC2=O ZINC000587472185 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])CC2=O ZINC000587472882 IG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC(=O)O)cc1[N+](=O)[O-])CC2=O ZINC000587472886 IG Annotated Bother CCCc1c(O)ccc2c1OC1(CC2=O)c2c(N)ccc(O)c2C(=O)c2c(O)ccc(N)c21 ZINC000587472927 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(F)cc2)N=C1C(=O)O ZINC000587473160 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(F)cc2)N=C1C(=O)O ZINC000587473161 IG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2c(N)ccc(N)c2C(=O)c2c(N)ccc(N)c21 ZINC000587473409 IG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2c(O)ccc(N)c2C(=O)c2c(N)ccc(O)c21 ZINC000587473686 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)CC2=O ZINC000587473701 IG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1OCC(=O)O)CC2=O ZINC000587473702 IG Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 ZINC000587473953 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 ZINC000587473955 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 ZINC000587473956 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 ZINC000587473958 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O ZINC000587474221 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O ZINC000587474222 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O ZINC000587474224 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O ZINC000587474226 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OC ZINC000587474625 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OC ZINC000587474627 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OC ZINC000587474628 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OC ZINC000587474629 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(C)nn(CC)c1C)CC2=O ZINC000587474692 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1c(C)nn(CC)c1C)CC2=O ZINC000587474693 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O ZINC000587474761 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O ZINC000587474766 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCC(O)CC3)cc1)CC2=O ZINC000587474894 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCC(O)CC3)cc1)CC2=O ZINC000587474900 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O ZINC000587475195 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O ZINC000587475204 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C(=O)c2cc(OC)cc(OC)c21 ZINC000587475243 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC)C(=O)c2cc(OC)cc(OC)c21 ZINC000587475247 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)N1CCC(O)CC1)CC2=O ZINC000587475859 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)N1CCC(O)CC1)CC2=O ZINC000587475862 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587476000 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000587476004 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@@H]1C(=O)OCC ZINC000587476010 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000587476013 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C(=O)OCC)cc1C(=O)OCC)CC2=O ZINC000587476250 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(Cn1nc(C(=O)OCC)cc1C(=O)OCC)CC2=O ZINC000587476260 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)CC2=O ZINC000587476311 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC)CC2=O ZINC000587476315 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OC)CC2=O ZINC000587476317 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC)CC2=O ZINC000587476319 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC000587476583 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC ZINC000587476585 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)OCC ZINC000587476587 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC ZINC000587476590 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(=O)N3CCC(O)CC3)c1)CC2=O ZINC000587477452 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(=O)N3CCC(O)CC3)c1)CC2=O ZINC000587477454 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587478848 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC)cc1OC)CC2=O ZINC000587478863 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc(OC)ccc1OC)CC2=O ZINC000587480136 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(OC)ccc1OC)CC2=O ZINC000587480140 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)CC2=O ZINC000587480620 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c1)CC2=O ZINC000587480622 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)CC2=O ZINC000587480624 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c1)CC2=O ZINC000587480625 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587481333 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587481336 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587481339 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587481341 IG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CN(S(=O)(=O)c2ccccc2OCC)C1 ZINC000587482873 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587483673 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587483690 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587483750 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)CC2=O ZINC000587483762 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587484222 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O ZINC000587484224 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587485151 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(S(C)(=O)=O)cc1)CC2=O ZINC000587485178 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=NN(CC)c2cc3c(cc21)OCO3 ZINC000587485673 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=NN(CC)c2cc3c(cc21)OCO3 ZINC000587485676 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O ZINC000587485876 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O ZINC000587485881 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCOCC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587486186 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCOCC3)nc3ccc(C)cn3c1=O)CC2=O ZINC000587486195 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587486342 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587486365 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587486371 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587486377 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587486700 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O ZINC000587486705 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)N(CC)CC)c2ccccc21 ZINC000587487814 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)N(CC)CC)c2ccccc21 ZINC000587487815 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cc(C#N)c(O)nc3=O)cc1)CC2=O ZINC000587488607 IG Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cc(C#N)c(O)nc3=O)cc1)CC2=O ZINC000587488608 IG Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)CC2=O ZINC000587488866 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)CC2=O ZINC000587488867 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(C)cc2)N=C1C(=O)OC ZINC000587489327 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(c2ccc(C)cc2)N=C1C(=O)OC ZINC000587489328 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@H](C(=O)O)C[C@H]3C1)CC2=O ZINC000587489839 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@@H](C(=O)O)C[C@H]3C1)CC2=O ZINC000587489843 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@H](C(=O)O)C[C@@H]3C1)CC2=O ZINC000587489847 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@@H](C(=O)O)C[C@@H]3C1)CC2=O ZINC000587489850 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)CC2=O ZINC000587490339 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)CC2=O ZINC000587490342 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2=O ZINC000587490516 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2=O ZINC000587490517 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)CC2=O ZINC000587490847 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)CC2=O ZINC000587490849 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)CC2=O ZINC000587490900 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)CC2=O ZINC000587490902 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccccc1S(=O)(=O)N1CCOCC1)CC2=O ZINC000587491579 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccccc1S(=O)(=O)N1CCOCC1)CC2=O ZINC000587491580 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O ZINC000587491670 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O ZINC000587491672 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O ZINC000587491757 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O ZINC000587491760 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)CC2=O ZINC000587493717 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)CC2=O ZINC000587493718 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494131 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCCO3)CC2=O ZINC000587494133 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@H]1C(=O)OCC ZINC000587495137 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@@H]1C(=O)OCC ZINC000587495144 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@H]1C(=O)OCC ZINC000587495148 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@@H]1C(=O)OCC ZINC000587495151 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)CC2=O ZINC000587495491 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)CC2=O ZINC000587495494 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)CC2=O ZINC000587495496 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)CC2=O ZINC000587495498 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1nc(N)sc1Br)CC2=O ZINC000587495726 IG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1nc(N)sc1Br)CC2=O ZINC000587495727 IG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506215 IG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506225 IG Annotated Anodyne CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509445 IG Annotated Anodyne CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509453 IG Annotated Anodyne Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510414 IG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 ZINC000587511671 IG Annotated Anodyne O=C(O)CCNC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 ZINC000587511673 IG Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511694 IG Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511701 IG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516225 IG Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587516226 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518019 IG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518020 IG Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518021 IG Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587518022 IG Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587518163 IG Annotated Anodyne CC(C)(C)OC(=O)CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587518164 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587518322 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587518323 IG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)CC2=O)cc1 ZINC000587518696 IG Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)CC2=O)cc1 ZINC000587518697 IG Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)OCO3 ZINC000587518861 IG Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)OCO3 ZINC000587518951 IG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519339 IG Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587519340 IG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587522317 IG Annotated Anodyne Cc1ccc2nc(N3CCOCC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587522325 IG Annotated Anodyne O=C1C[C@@H](c2c(N3CCOCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587523211 IG Annotated Anodyne O=C1C[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587523218 IG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530730 IG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530737 IG Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530785 IG Annotated Anodyne CN(CC(=O)O)S(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587530787 IG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587531147 IG Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 ZINC000587531153 IG Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587531271 IG Annotated Anodyne Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587532117 IG Annotated Anodyne O=C(O)CCCNS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532416 IG Annotated Anodyne O=C(O)CCCNS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532420 IG Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532425 IG Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532427 IG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587532486 IG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587532489 IG Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587532490 IG Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O ZINC000587532491 IG Annotated Anodyne O=C1C[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587532862 IG Annotated Anodyne O=C1C[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)Oc2c1ccc1c2CCCC1 ZINC000587532863 IG Annotated Anodyne O=C(O)CCNS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532964 IG Annotated Anodyne O=C(O)CCNS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532966 IG Annotated Anodyne O=C1C[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587533308 IG Annotated Anodyne O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587533309 IG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533527 IG Annotated Anodyne C[C@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533530 IG Annotated Anodyne C[C@@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533531 IG Annotated Anodyne C[C@@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533533 IG Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533940 IG Annotated Anodyne COC(=O)[C@@]1(c2nc(N)sc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533941 IG Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534113 IG Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534117 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534475 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534480 IG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 ZINC000587536081 IG Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@]3(COC(C)(C)O3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536084 IG Annotated Anodyne CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 ZINC000587536085 IG Annotated Anodyne CC1(C)O[C@H]2[C@@H](CO[C@]3(COC(C)(C)O3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536086 IG Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536761 IG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536775 IG Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536776 IG Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 ZINC000587536777 IG Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536840 IG Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536841 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C(O)O ZINC000587538179 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C(O)O ZINC000587538180 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C(O)O ZINC000587538181 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)C(O)O ZINC000587538182 IG Annotated Anodyne NC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540397 IG Annotated Anodyne NC(=O)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540398 IG Annotated Anodyne NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540399 IG Annotated Anodyne NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540400 IG Annotated Anodyne NC(=O)COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544558 IG Annotated Reactive NC(=O)COc1ccc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544573 IG Annotated Reactive NC(=O)COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544575 IG Annotated Reactive NC(=O)COc1ccc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544577 IG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncc(Br)cc12 ZINC000587544818 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncc(Br)cc12 ZINC000587544822 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncc(Br)cc12 ZINC000587544824 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncc(Br)cc12 ZINC000587544826 IG Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(N)=O ZINC000587546597 IG Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(N)=O ZINC000587546611 IG Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CC(N)=O ZINC000587546614 IG Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CC(N)=O ZINC000587546617 IG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(O)O ZINC000587548447 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(O)O ZINC000587548448 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(O)O ZINC000587548449 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(O)O ZINC000587548450 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1N1CCOCC1 ZINC000587551100 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1N1CCOCC1 ZINC000587551101 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1N1CCOCC1 ZINC000587551102 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1N1CCOCC1 ZINC000587551103 IG Annotated Anodyne CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551345 IG Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551347 IG Annotated Anodyne CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551349 IG Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551356 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1N1CCOCC1 ZINC000587551669 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1N1CCOCC1 ZINC000587551670 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1N1CCOCC1 ZINC000587551671 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1N1CCOCC1 ZINC000587551672 IG Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587556555 IG Annotated Anodyne COc1cc(C(=O)Oc2ccccc2-c2ccc3c(O)nc(O)nc3n2)ccc1[N+](=O)[O-] ZINC000587556696 IG Annotated Bother COC(=O)c1ccc(OCCOc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1 ZINC000587558631 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2nc(O)nc(O)c2cc1CCCC1OCCO1 ZINC000587558842 IG Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)c1 ZINC000587559536 IG Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c1 ZINC000587559766 IG Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 ZINC000587559772 IG Annotated Anodyne COC(=O)[C@@H](c1ccc(OC)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 ZINC000587560225 IG Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 ZINC000587560226 IG Annotated Anodyne Oc1nc(O)c2cc(Cc3ccc(O)c(O)c3)c(/C=C/CCc3ccc(O)c(O)c3)nc2n1 ZINC000587561016 IG Annotated Clean C[C@H]1CCCc2nc3nc(O)nc(O)c3cc2CCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000587562464 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O ZINC000587562677 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O ZINC000587562678 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O ZINC000587562680 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O ZINC000587562681 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O ZINC000587562720 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O ZINC000587562721 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O ZINC000587562722 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O ZINC000587562724 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587562763 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587562764 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587562766 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587562768 IG Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 ZINC000587562961 IG Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4nc(O)nc(O)c4cc3C[C@@H]12 ZINC000587562963 IG Annotated Mild Cc1ccc(S(=O)(=O)N2CCc3cc4c(O)nc(O)nc4nc3-c3ccccc32)cc1 ZINC000587563217 IG Annotated Anodyne O=C1CCCC2=C1[C@@H]([C@H]1C(=O)CCc3cc4c(O)nc(O)nc4nc31)c1ccccc1O2 ZINC000587563237 IG Annotated Mild O=C1CCCC2=C1[C@@H]([C@@H]1C(=O)CCc3cc4c(O)nc(O)nc4nc31)c1ccccc1O2 ZINC000587563242 IG Annotated Mild O=C1CCCC2=C1[C@H]([C@@H]1C(=O)CCc3cc4c(O)nc(O)nc4nc31)c1ccccc1O2 ZINC000587563243 IG Annotated Mild O=C1CCCC2=C1[C@H]([C@H]1C(=O)CCc3cc4c(O)nc(O)nc4nc31)c1ccccc1O2 ZINC000587563244 IG Annotated Mild O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563296 IG Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563304 IG Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563305 IG Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 ZINC000587563307 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587563318 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587563322 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587563323 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587563324 IG Annotated Anodyne C[C@H]1CCc2cc3c(O)nc(O)nc3nc2CCCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000587563334 IG Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCc3cc4c(O)nc(O)nc4nc32)Oc2ccccc21 ZINC000587563729 IG Annotated Anodyne O=C1CCCC(=O)C1[C@H]1C2=C(CCc3cc4c(O)nc(O)nc4nc32)Oc2ccccc21 ZINC000587563731 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O ZINC000587564115 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O ZINC000587564116 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O ZINC000587564117 IG Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O ZINC000587564118 IG Annotated Anodyne O=C1c2c(sc3c2CCCC3)N/C(=C\Cl)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587564375 IG Annotated Anodyne O=C1c2c(sc3c2CCCC3)N/C(=C/Cl)N1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587564378 IG Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587565934 IG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587566284 IG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587566384 IG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587566556 IG Annotated Bother CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587566591 IG Annotated Bother Cn1ncc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567964 IG Annotated Anodyne Cn1ncc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567967 IG Annotated Anodyne Cn1ncc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567968 IG Annotated Anodyne Cn1ncc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567969 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568147 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568149 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568151 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568153 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569110 IG Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569112 IG Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569113 IG Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569114 IG Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cccc(I)c2[nH]1 ZINC000587569906 IG Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570540 IG Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570541 IG Annotated Anodyne O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570543 IG Annotated Anodyne O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570545 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587570595 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587570596 IG Annotated Anodyne Cn1cnc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570641 IG Annotated Anodyne Cn1cnc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570642 IG Annotated Anodyne Cn1cnc(I)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570643 IG Annotated Anodyne Cn1cnc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570644 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587570797 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 ZINC000587570798 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571762 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571763 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571764 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571765 IG Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571900 IG Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571901 IG Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571902 IG Annotated Anodyne CCOC(=O)CCCC(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571903 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573052 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573053 IG Annotated Anodyne CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573054 IG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573055 IG Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587574099 IG Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587574102 IG Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587574104 IG Annotated Anodyne CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587574105 IG Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574218 IG Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574219 IG Annotated Anodyne CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574220 IG Annotated Anodyne CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574221 IG Annotated Anodyne CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575287 IG Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575288 IG Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575289 IG Annotated Bother CN(C)/C=C(\n1cc([N+](=O)[O-])cn1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575290 IG Annotated Bother C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587575474 IG Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587575475 IG Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587575476 IG Annotated Reactive C[C@H](Oc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)NN ZINC000587575477 IG Annotated Reactive CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)[N+](=O)[O-] ZINC000587575722 IG Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)[N+](=O)[O-] ZINC000587575723 IG Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)[N+](=O)[O-] ZINC000587575724 IG Annotated Mild CCOC(=O)[C@H]([C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)[N+](=O)[O-] ZINC000587575725 IG Annotated Mild CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587575860 IG Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587575865 IG Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576036 IG Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(N)=O ZINC000587576037 IG Annotated Anodyne O=C(O)COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576109 IG Annotated Bother O=C(O)COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576110 IG Annotated Bother O=C(O)COc1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576112 IG Annotated Bother O=C(O)COc1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576113 IG Annotated Bother O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576421 IG Annotated Bother O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576422 IG Annotated Bother O=C(O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576424 IG Annotated Bother O=C(O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587576426 IG Annotated Bother NC[C@@]1(c2ncn(Cc3ccccc3)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577178 IG Annotated Anodyne NC[C@]1(c2ncn(Cc3ccccc3)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577181 IG Annotated Anodyne NC[C@@]1(c2ncn(Cc3ccccc3)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577183 IG Annotated Anodyne NC[C@]1(c2ncn(Cc3ccccc3)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577185 IG Annotated Anodyne C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587577925 IG Annotated Bother C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577926 IG Annotated Bother C[C@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577928 IG Annotated Bother C[C@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577929 IG Annotated Bother C[C@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577930 IG Annotated Bother C[C@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577931 IG Annotated Bother C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587577932 IG Annotated Bother C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587577933 IG Annotated Bother CCn1ncc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587579253 IG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587579257 IG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587579258 IG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587579259 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1 ZINC000587580254 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1 ZINC000587580255 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1 ZINC000587580256 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1 ZINC000587580257 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587580995 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581000 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581001 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581002 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581124 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581127 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587581129 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587581131 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581590 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581592 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581593 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581594 IG Annotated Anodyne Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581917 IG Annotated Anodyne Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581918 IG Annotated Anodyne Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581920 IG Annotated Anodyne Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581923 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587582010 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587582013 IG Annotated Anodyne CNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587582014 IG Annotated Anodyne CNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587582015 IG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582808 IG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582809 IG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582810 IG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587582811 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583084 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583085 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587583086 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587583087 IG Annotated Anodyne Cn1ncc2c(N3CCC4(CC3)Oc3ccccc3C(=O)[C@H]4C(=O)c3ccco3)ncnc21 ZINC000587583296 IG Annotated Anodyne Cn1ncc2c(N3CCC4(CC3)Oc3ccccc3C(=O)[C@@H]4C(=O)c3ccco3)ncnc21 ZINC000587583297 IG Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583400 IG Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583401 IG Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583402 IG Annotated Anodyne CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583403 IG Annotated Anodyne Cn1nnnc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587583623 IG Annotated Anodyne Cn1nnnc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587583624 IG Annotated Anodyne Cn1nnnc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587583625 IG Annotated Anodyne Cn1nnnc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587583626 IG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583658 IG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583659 IG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583660 IG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583661 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN(Cc1ccccc1)C[C@H]2C(=O)O ZINC000587583873 IG Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583875 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)O ZINC000587583876 IG Annotated Anodyne O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587583879 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584433 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584434 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584435 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584436 IG Annotated Anodyne O=C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584731 IG Annotated Mild O=C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584733 IG Annotated Mild O=C[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584734 IG Annotated Mild O=C[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584736 IG Annotated Mild O=C(O)CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585098 IG Annotated Anodyne O=C(O)CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585103 IG Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585105 IG Annotated Anodyne O=C(O)CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587585107 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585797 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585798 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585799 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585800 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586271 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586274 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586277 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586280 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586927 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586928 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586929 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586930 IG Annotated Anodyne C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587186 IG Annotated Anodyne C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587187 IG Annotated Anodyne C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587188 IG Annotated Anodyne C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587189 IG Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2c(C(=O)O)cnn12 ZINC000587587495 IG Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2c(C(=O)O)cnn12 ZINC000587587501 IG Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2c(C(=O)O)cnn12 ZINC000587587502 IG Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2c(C(=O)O)cnn12 ZINC000587587503 IG Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587752 IG Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587587766 IG Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587768 IG Annotated Anodyne COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587587772 IG Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 ZINC000587587847 IG Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 ZINC000587587851 IG Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 ZINC000587587852 IG Annotated Anodyne Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 ZINC000587587854 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N=O ZINC000587588020 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N=O ZINC000587588022 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O ZINC000587588024 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O ZINC000587588026 IG Annotated Anodyne C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588765 IG Annotated Anodyne C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588767 IG Annotated Anodyne C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588770 IG Annotated Anodyne C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588774 IG Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589461 IG Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589462 IG Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589463 IG Annotated Anodyne COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589464 IG Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589911 IG Annotated Anodyne CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589912 IG Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589913 IG Annotated Anodyne CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589914 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587589963 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587589964 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587589966 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587589967 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590146 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590151 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590930 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590931 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587590932 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587590933 IG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N3CCC2 ZINC000587591009 IG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@@]1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)C(=O)N3CCC2 ZINC000587591015 IG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N3CCC2 ZINC000587591017 IG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@]1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)C(=O)N3CCC2 ZINC000587591018 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587591440 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587591449 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587591451 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587591454 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587591573 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587591578 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587591582 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587591586 IG Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591897 IG Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591926 IG Annotated Anodyne CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591929 IG Annotated Anodyne CCOC(=O)C[C@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591932 IG Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N(C)C)nc12 ZINC000587592426 IG Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N(C)C)nc12 ZINC000587592432 IG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N(C)C)nc12 ZINC000587592434 IG Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N(C)C)nc12 ZINC000587592437 IG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592506 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592520 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592521 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592522 IG Annotated Mild COc1ccc([C@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592849 IG Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592850 IG Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587592851 IG Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587592852 IG Annotated Anodyne O=C(c1ccc(N2CCOCC2)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593128 IG Annotated Anodyne O=C(c1ccc(N2CCOCC2)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593135 IG Annotated Anodyne O=C(c1ccc(N2CCOCC2)cc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593136 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587593137 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593431 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593432 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593433 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593434 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCCCC1)OCC2=O ZINC000587594165 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCCCC1)OCC2=O ZINC000587594166 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCCCC1)OCC2=O ZINC000587594167 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCCCC1)OCC2=O ZINC000587594168 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594620 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594628 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594629 IG Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587594630 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594719 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594720 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594721 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594722 IG Annotated Anodyne CC(C)(O)[C@@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594771 IG Annotated Anodyne CC(C)(O)[C@@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594772 IG Annotated Anodyne CC(C)(O)[C@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594773 IG Annotated Anodyne CC(C)(O)[C@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594774 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594789 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594790 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594791 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594792 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595027 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595029 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595030 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595032 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595033 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595035 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595037 IG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595039 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587595638 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587595641 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587595645 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587595648 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587595697 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587595698 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587595699 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCO[C@@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587595700 IG Annotated Anodyne O=C1CCc2cc([C@@]3(C(=O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587596698 IG Annotated Anodyne O=C1CCc2cc([C@@]3(C(=O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587596699 IG Annotated Anodyne O=C1CCc2cc([C@]3(C(=O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 ZINC000587596700 IG Annotated Anodyne O=C1CCc2cc([C@]3(C(=O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 ZINC000587596701 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587597432 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587597433 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587597435 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587597438 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597670 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597695 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598021 IG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598026 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCCCC1)=CC2=O ZINC000587598713 IG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCCCC1)=CC2=O ZINC000587598714 IG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCCCC1)=CC2=O ZINC000587598715 IG Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCCCC1)=CC2=O ZINC000587598716 IG Annotated Mild CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O ZINC000587599055 IG Annotated Anodyne CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O ZINC000587599056 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O ZINC000587599057 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O ZINC000587599058 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599229 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599231 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599233 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599235 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599240 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599241 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599243 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599244 IG Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599321 IG Annotated Anodyne CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599329 IG Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599331 IG Annotated Anodyne CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599333 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599711 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599712 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599713 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC ZINC000587599714 IG Annotated Anodyne COC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC(OC)(OC)C1 ZINC000587599995 IG Annotated Anodyne COC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC(OC)(OC)C1 ZINC000587599996 IG Annotated Anodyne COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC(OC)(OC)C1 ZINC000587599997 IG Annotated Anodyne COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC(OC)(OC)C1 ZINC000587599998 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601046 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601047 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601048 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601049 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603051 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603054 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603057 IG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603060 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604899 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587604900 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604901 IG Annotated Anodyne CN(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587604902 IG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605238 IG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605241 IG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605244 IG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605245 IG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605248 IG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605249 IG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605250 IG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605251 IG Annotated Anodyne CS(=O)(=O)N1CCc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587605328 IG Annotated Anodyne CS(=O)(=O)N1CCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587605330 IG Annotated Anodyne CS(=O)(=O)N1CCc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 ZINC000587605332 IG Annotated Anodyne CS(=O)(=O)N1CCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 ZINC000587605333 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605346 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605349 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605351 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605352 IG Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605788 IG Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605804 IG Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605809 IG Annotated Anodyne O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605813 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606039 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606040 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606041 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606042 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587606176 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587606177 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 ZINC000587606178 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 ZINC000587606179 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606331 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606332 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606333 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606334 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587606371 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587606373 IG Annotated Anodyne C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608128 IG Annotated Anodyne C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608129 IG Annotated Anodyne C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608130 IG Annotated Anodyne C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608131 IG Annotated Anodyne O=C(O)CS[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608494 IG Annotated Anodyne O=C(O)CS[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608495 IG Annotated Anodyne O=C(O)CS[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608496 IG Annotated Anodyne O=C(O)CS[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608497 IG Annotated Anodyne CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608803 IG Annotated Bother CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608805 IG Annotated Bother CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608807 IG Annotated Bother CS(=O)(=O)c1ccc([N+](=O)[O-])cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608808 IG Annotated Bother CN(C)S(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609051 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609052 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609053 IG Annotated Anodyne CN(C)S(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609054 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc(O)cc(O)n1)C1CC1 ZINC000587609389 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc(O)cc(O)n1)C1CC1 ZINC000587609392 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nc(O)cc(O)n1)C1CC1 ZINC000587609393 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nc(O)cc(O)n1)C1CC1 ZINC000587609394 IG Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587609770 IG Annotated Bother CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587609771 IG Annotated Bother CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587609772 IG Annotated Bother CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587609774 IG Annotated Bother Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587609857 IG Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587609859 IG Annotated Anodyne Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587609861 IG Annotated Anodyne Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(N)(=O)=O ZINC000587609863 IG Annotated Anodyne NS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587609908 IG Annotated Anodyne NS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl ZINC000587609917 IG Annotated Anodyne NS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587609918 IG Annotated Anodyne NS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl ZINC000587609920 IG Annotated Anodyne CN(Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)S(C)(=O)=O ZINC000587610430 IG Annotated Anodyne CN(Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1)S(C)(=O)=O ZINC000587610441 IG Annotated Anodyne CN(Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)S(C)(=O)=O ZINC000587610444 IG Annotated Anodyne CN(Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1)S(C)(=O)=O ZINC000587610447 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611035 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611038 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611039 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611041 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611052 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611053 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611125 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611127 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)s1)C(O)O ZINC000587612905 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)s1)C(O)O ZINC000587612909 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)s1)C(O)O ZINC000587612910 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)s1)C(O)O ZINC000587612912 IG Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612940 IG Annotated Anodyne CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612943 IG Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587612945 IG Annotated Anodyne CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587612948 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612965 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612966 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612967 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612969 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1SCC2(CO)CO ZINC000587618435 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1SCC2(CO)CO ZINC000587618436 IG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1SCC2(CO)CO ZINC000587618438 IG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1SCC2(CO)CO ZINC000587618576 IG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3cccn3)c2c1 ZINC000587620460 IG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H]3CCOC3)c(C#N)c2c1 ZINC000587620461 IG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H]3CCOC3)c(C#N)c2c1 ZINC000587620462 IG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cn3cccn3)c2c1 ZINC000587620723 IG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3ccnc3)c2c1 ZINC000587621033 IG Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-n1cncn1 ZINC000587621170 IG Annotated Bother COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622932 IG Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCOCC1 ZINC000587623312 IG Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1c(C)nn(C)c1C ZINC000587623345 IG Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1C(=O)c2ccccc2C1=O ZINC000587623390 IG Annotated Anodyne CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626940 IG Annotated Anodyne COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC ZINC000587638331 IG Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2c(C(=O)O)cccc12 ZINC000587638369 IG Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3c(C(=O)O)cccc23)c1C ZINC000587638690 IG Annotated Anodyne COC(=O)[C@]1(Cc2c(C)[nH]c3c(C(=O)O)cccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587639560 IG Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3c(C(=O)O)cccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587639561 IG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)n(C)c(=O)n(C)c3=O)c2c1 ZINC000587643756 IG Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)n(C)c(=O)n(C)c3=O)c2c1 ZINC000587643758 IG Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)OC ZINC000587645583 IG Annotated Bother COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)OC ZINC000587646014 IG Annotated Bother COC(=O)[C@]1(Cc2c(C)[nH]c3cccc([N+](=O)[O-])c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587648276 IG Annotated Bother COC(=O)[C@@]1(Cc2c(C)[nH]c3cccc([N+](=O)[O-])c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587648278 IG Annotated Bother COC(=O)[C@]1(Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587648394 IG Annotated Bother COC(=O)[C@@]1(Cc2c(C)[nH]c3cc([N+](=O)[O-])ccc23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587648395 IG Annotated Bother CS(=O)(=O)c1ccc2[nH]c(CBr)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587648696 IG Annotated Reactive CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587649082 IG Annotated Bother CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587649293 IG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(CBr)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587649338 IG Annotated Reactive CC(C)(C)OC(=O)NCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCC1OCCO1 ZINC000587649815 IG Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 ZINC000587649827 IG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc4c(c3)NC(=O)CO4)c2c1 ZINC000587650146 IG Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OCc1ccccc1 ZINC000587650175 IG Annotated Anodyne COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1cnn(-c2ccccc2)c1C ZINC000587650697 IG Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651236 IG Annotated Anodyne Cn1nc(C(F)(F)F)c(Br)c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587651258 IG Annotated Anodyne O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651813 IG Annotated Anodyne O=C(c1nnn(-c2ccc(F)cc2)c1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651874 IG Annotated Anodyne Cn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(Br)c1C(F)(F)F ZINC000587652072 IG Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c(C)c1[N+](=O)[O-] ZINC000587652307 IG Annotated Bother COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1I ZINC000587652539 IG Annotated Anodyne O=C(CN1c2cccc3cccc(c23)S1(=O)=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653090 IG Annotated Anodyne O=C(c1nnn(Cc2ccccc2)c1-c1cccnc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653224 IG Annotated Anodyne O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653528 IG Annotated Bother O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587654139 IG Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)sc(C)c1C ZINC000587654651 IG Annotated Anodyne O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654922 IG Annotated Anodyne C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 ZINC000587655022 IG Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 ZINC000587655023 IG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 ZINC000587655024 IG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587655521 IG Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 ZINC000587655559 IG Annotated Anodyne O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656054 IG Annotated Bother CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587656096 IG Annotated Bother Cc1nc([N+](=O)[O-])cn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656108 IG Annotated Bother Cc1nn(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587656140 IG Annotated Bother Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587656213 IG Annotated Bother C[C@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 ZINC000587656220 IG Annotated Anodyne C[C@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@H](C)O1 ZINC000587656235 IG Annotated Anodyne C[C@@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 ZINC000587656237 IG Annotated Anodyne O=C(c1cccc(-n2cnnn2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656304 IG Annotated Anodyne O=C(c1ccc(-n2cnnn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656649 IG Annotated Anodyne O=C(c1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1)N1CCCC1 ZINC000587656724 IG Annotated Anodyne O=C(Cn1nnc(-c2ccccc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656744 IG Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656755 IG Annotated Bother O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656886 IG Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587657056 IG Annotated Bother C[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587657057 IG Annotated Bother CC(C)(C)OC(=O)NCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657123 IG Annotated Anodyne Cn1ncc(Br)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657208 IG Annotated Anodyne O=C(CCn1ccc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657296 IG Annotated Bother Cn1cc(Br)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587657490 IG Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657560 IG Annotated Bother Cc1nn(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1[N+](=O)[O-] ZINC000587657569 IG Annotated Bother O=C1COc2ccccc2N1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657694 IG Annotated Anodyne O=C(Cn1cc(Cl)c([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657779 IG Annotated Bother CNS(=O)(=O)Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657952 IG Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C ZINC000587658009 IG Annotated Anodyne CC(C)Cn1[nH]c(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1=O ZINC000587658196 IG Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1cccs1 ZINC000587658228 IG Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)CC2 ZINC000587658262 IG Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)CC2 ZINC000587658263 IG Annotated Anodyne CS(=O)(=O)c1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587658510 IG Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O ZINC000587658755 IG Annotated Anodyne O=C(Cc1cc(O)nc(S)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658950 IG Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659947 IG Annotated Anodyne COc1nn([C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660225 IG Annotated Bother COc1nn([C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587660243 IG Annotated Bother O=C(Cn1nnc(-c2ccccc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660574 IG Annotated Anodyne O=C1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1Cc1ccco1 ZINC000587660953 IG Annotated Anodyne O=C1C[C@@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1Cc1ccco1 ZINC000587660955 IG Annotated Anodyne COc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587661123 IG Annotated Bother C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661312 IG Annotated Anodyne Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587661508 IG Annotated Anodyne O=C1COc2ccccc2N1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661882 IG Annotated Anodyne Cc1cc(C)n(Cn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)n1 ZINC000587661971 IG Annotated Anodyne O=C(C[S@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662227 IG Annotated Anodyne O=C(C[S@@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662228 IG Annotated Anodyne NNC(=O)c1ccc2nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)sc2c1 ZINC000587662597 IG Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587662670 IG Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncn3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663757 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664131 IG Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664132 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(N(C)C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664152 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664243 IG Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cnc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664335 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnc(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664823 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cncnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665028 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Cl)nc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665789 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc(C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665981 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666005 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666055 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(N)cnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666346 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC3(C)OCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666361 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4c3cnn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667155 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667171 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667366 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3ccccc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667438 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667516 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667525 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667697 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4nnc(C)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667715 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587667719 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587667836 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587667837 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc4nncn4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667889 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667910 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667965 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668056 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4[nH]cnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668068 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)n3cncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587668099 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(NN)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668516 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn([C@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668677 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn([C@@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587668681 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3noc(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668895 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(CC)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587668966 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])n[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587669073 IG Annotated Bother CCOc1ccc(-c2nn(C(=S)N3CCOCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669091 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3csc(N)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669328 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N)nc3)c(=O)c3ccccc23)cc1OCC ZINC000587669405 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(NN)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669761 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587669768 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3n[nH]cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669774 IG Annotated Bother CCOc1ccc(-c2nn(-c3ccc(C(=O)NN)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669784 IG Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H](C)COC)c(=O)c3ccccc23)c(O)c1 ZINC000587669988 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H](C)COC)c(=O)c3ccccc23)c(O)c1 ZINC000587669989 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)N3CCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587670147 IG Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(O)c4c[nH]nc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670202 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCCC3=O)c(=O)c3ccccc23)cc1OCC ZINC000587670245 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587670405 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(N)cnn3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670406 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(O)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587670411 IG Annotated Anodyne CCOc1ccc(-c2nn(-c3cccc(C(=O)NN)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670451 IG Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3snnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670750 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(N)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670782 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnc(N)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670811 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)N3CCN(C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670915 IG Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc4nncn4n3)c(=O)c3ccccc23)cc1OCC ZINC000587670973 IG Annotated Anodyne CCOc1ccc(-c2nn([C@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671072 IG Annotated Anodyne CCOc1ccc(-c2nn([C@@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671074 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3ccccc3=O)c(=O)c3ccccc23)cc1OCC ZINC000587671167 IG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587671454 IG Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587672028 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587676206 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587676207 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587676208 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587676209 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587676694 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587676695 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587676696 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587676697 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587678636 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587678637 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587678638 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C(O)O)N1 ZINC000587678639 IG Annotated Anodyne COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587683198 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587683203 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587683207 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587683210 IG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587683481 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587683482 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587683483 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587683484 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587683727 IG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587683735 IG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587683738 IG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587683741 IG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587684840 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587684841 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587684842 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 ZINC000587684843 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587685054 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587685056 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587685058 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(O)O)N1 ZINC000587685060 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587685851 IG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587685852 IG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587685853 IG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587685854 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687033 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687034 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687035 IG Annotated Reactive COC1=CN(CC(=O)O)C(CCl)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687036 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687828 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687829 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687830 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687831 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689758 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689759 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689760 IG Annotated Reactive CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689761 IG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587701712 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587701717 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587701719 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587701723 IG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703222 IG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703227 IG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703230 IG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587703232 IG Annotated Anodyne C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S ZINC000587703337 IG Annotated Anodyne C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S ZINC000587703351 IG Annotated Anodyne C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S ZINC000587703355 IG Annotated Anodyne C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S ZINC000587703359 IG Annotated Anodyne C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S ZINC000587704236 IG Annotated Anodyne C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S ZINC000587704237 IG Annotated Anodyne C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S ZINC000587704238 IG Annotated Anodyne C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S ZINC000587704239 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704349 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704350 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704351 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587704352 IG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706212 IG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706214 IG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706215 IG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587706217 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587706679 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587706681 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587706683 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 ZINC000587706684 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708207 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708208 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708210 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587708211 IG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731532 IG Annotated Mild COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731536 IG Annotated Mild 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CCOC(=O)CN(C)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739190 IG Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739191 IG Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739192 IG Annotated Anodyne CCOC(=O)CN(C)c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 ZINC000587739193 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C\CNCCO)N1 ZINC000587739427 IG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C\CNCCO)N1 ZINC000587739428 IG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C/CNCCO)N1 ZINC000587739429 IG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C/CNCCO)N1 ZINC000587739430 IG Annotated Mild CNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743509 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743539 IG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743542 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587743545 IG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743922 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743924 IG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743926 IG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587743928 IG Annotated Anodyne C[C@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587744578 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587744579 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587744580 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587744581 IG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 ZINC000587744582 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587744583 IG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 ZINC000587744584 IG Annotated Bother CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744940 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744941 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744942 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744943 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745620 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745623 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745626 IG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745629 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587745762 IG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587745763 IG Annotated Reactive C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN ZINC000587746515 IG Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(=O)NN ZINC000587746516 IG Annotated Reactive CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587746860 IG Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587746861 IG Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587746862 IG Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587746863 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 ZINC000587747890 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587747891 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587747892 IG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C)[C@@H](C[N+](=O)[O-])[C@@H]2CC(=O)O)N1 ZINC000587747893 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587747895 IG Annotated Bother C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@H]1C[N+](=O)[O-] ZINC000587747897 IG Annotated Bother C[C@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](CC(=O)O)[C@@H]1C[N+](=O)[O-] ZINC000587747899 IG Annotated Bother COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747946 IG Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747953 IG Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747954 IG Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747955 IG Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587748537 IG Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587748540 IG Annotated Reactive COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587748542 IG Annotated Reactive COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587748545 IG Annotated Reactive CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749595 IG Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749596 IG Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749598 IG Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749599 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587750841 IG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587750843 IG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587750845 IG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587750846 IG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587751840 IG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O[C@H](C)C(=O)NN)cc2)N1 ZINC000587751844 IG Annotated Reactive C[C@H](Oc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN ZINC000587751848 IG Annotated Reactive C[C@H](Oc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(=O)NN ZINC000587751849 IG Annotated Reactive CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753468 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753475 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753477 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753478 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587753988 IG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587753989 IG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587753990 IG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2nn(C)cc2[N+](=O)[O-])N1 ZINC000587753991 IG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587754217 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587754218 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587754219 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587754220 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587754307 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587754316 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587754319 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587754322 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755837 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755838 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755839 IG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755840 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587756242 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587756243 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587756244 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 ZINC000587756245 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587756415 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587756416 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587756418 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587756420 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C/CNCCO)N1 ZINC000587756971 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C/CNCCO)N1 ZINC000587756973 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C\CNCCO)N1 ZINC000587756974 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C\CNCCO)N1 ZINC000587756976 IG Annotated Mild CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757652 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757654 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757655 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587757657 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587758388 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587758390 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587758392 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587758395 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587758404 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587758406 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587758407 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587758409 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587758765 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587758768 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587758771 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 ZINC000587758774 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758861 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758895 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758899 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758903 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587759248 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587759258 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587759260 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587759263 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587759271 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587759273 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587759275 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 ZINC000587759277 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587759642 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587759643 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587759644 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 ZINC000587759645 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587759954 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587759955 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587759956 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587759957 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759962 IG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759963 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759964 IG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759965 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587760264 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587760266 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587760268 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 ZINC000587760269 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587760458 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587760459 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587760460 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587760461 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587760995 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587760996 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587760997 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3nnnn3C)c2)N1 ZINC000587760998 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761127 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761128 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761129 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761130 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761435 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761436 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761437 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3nnnn3C)cc2)N1 ZINC000587761438 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762152 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762154 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762156 IG Annotated Anodyne COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762158 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587763132 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587763133 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587763134 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587763135 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587764392 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587764394 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587764396 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 ZINC000587764398 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 ZINC000587765396 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 ZINC000587765406 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 ZINC000587765451 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 ZINC000587765454 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 ZINC000587765464 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 ZINC000587765465 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765490 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765491 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765492 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587765493 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765552 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765553 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765554 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765555 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587766113 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587766114 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 ZINC000587767634 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 ZINC000587767635 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587767901 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 ZINC000587767908 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768172 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768173 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768174 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587768175 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768714 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768715 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768717 IG Annotated Anodyne COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768718 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768818 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768820 IG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768822 IG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587768823 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769226 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769228 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769230 IG Annotated Anodyne COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587769232 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587769524 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587769528 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587769531 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587769532 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769578 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769579 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769580 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769581 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587769996 IG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587770029 IG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587770031 IG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587770035 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587770377 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587770379 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587770381 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 ZINC000587770383 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587770546 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N=O ZINC000587770550 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587770551 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N=O ZINC000587770556 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)N=O ZINC000587770558 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)N=O ZINC000587770559 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770588 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770590 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770592 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587770593 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587770787 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587770788 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771566 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771571 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771576 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771580 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771957 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771960 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771961 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587771963 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587772765 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587772766 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587772767 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 ZINC000587772768 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772864 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772867 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772869 IG Annotated Anodyne Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772872 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587773230 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587773231 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587773232 IG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587773233 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773670 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773671 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773673 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 ZINC000587773676 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774056 IG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774060 IG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774062 IG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774065 IG Annotated Clean CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774084 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774085 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774086 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774087 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774244 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774245 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774246 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774247 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774456 IG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774457 IG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774458 IG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587774459 IG Annotated Clean CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774717 IG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774718 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774719 IG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774720 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774896 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774897 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774898 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774899 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587775431 IG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587775432 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587775433 IG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=O)(c2ccc(N3CCOCC3)cc2)N1 ZINC000587775434 IG Annotated Mild CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O ZINC000587776220 IG Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O ZINC000587776229 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O ZINC000587776231 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O ZINC000587776234 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O ZINC000587776299 IG Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O ZINC000587776300 IG Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O ZINC000587776301 IG Annotated Anodyne CCc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O ZINC000587776302 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587776671 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587776672 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587776673 IG Annotated Anodyne CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587776674 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N=O ZINC000587776843 IG Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N=O ZINC000587776845 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N=O ZINC000587776847 IG Annotated Anodyne COC(=O)[C@H](C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N=O ZINC000587776848 IG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(O)ncnc2[nH]1 ZINC000587786014 IG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(N)ncc2[nH]1 ZINC000587786046 IG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(N)c2[nH]1 ZINC000587788292 IG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnnc(O)c2[nH]1 ZINC000587788365 IG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788771 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788776 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788778 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788780 IG Annotated Mild COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789673 IG Annotated Anodyne 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CCOC(=O)c1cnn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 ZINC000587790565 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587791447 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587791448 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587791449 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587791450 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792670 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792671 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792673 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792674 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587792874 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587792879 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587792884 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 ZINC000587792888 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587793185 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587793187 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587793188 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587793189 IG Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 ZINC000587793741 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 ZINC000587793744 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 ZINC000587793746 IG Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 ZINC000587793748 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794182 IG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794184 IG Annotated Mild CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794186 IG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794187 IG Annotated Mild C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794189 IG Annotated Mild CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794190 IG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794192 IG Annotated Mild CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794193 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587794413 IG Annotated Anodyne 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CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794831 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794832 IG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794833 IG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795437 IG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(C)on2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795438 IG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795439 IG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cc(C)on2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795440 IG Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795634 IG Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795635 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587796008 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587796010 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587796012 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 ZINC000587796014 IG Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797645 IG Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587797647 IG Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 ZINC000587797785 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 ZINC000587797786 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 ZINC000587797787 IG Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 ZINC000587797788 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587798020 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587798022 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587798024 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC ZINC000587798027 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 ZINC000587798316 IG Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 ZINC000587798317 IG Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 ZINC000587798318 IG Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 ZINC000587798319 IG Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587798459 IG Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587798461 IG Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798875 IG Annotated Anodyne COc1ccc([C@@]2(COCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798877 IG Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798879 IG Annotated Anodyne COc1ccc([C@]2(COCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798881 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587799327 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587799329 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587799331 IG Annotated Anodyne CCOC(=O)c1cnn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc12 ZINC000587799333 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799627 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799629 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799631 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799633 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800096 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800097 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800098 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 ZINC000587800099 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800189 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800190 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800192 IG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587800193 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587800211 IG Annotated Anodyne CCOC(=O)C(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587800212 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587800213 IG Annotated Anodyne CCOC(=O)C(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC ZINC000587800215 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800267 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800268 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800269 IG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800270 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808706 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808710 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808714 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808718 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809404 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809406 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809409 IG Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809412 IG Annotated Anodyne COC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 ZINC000587811097 IG Annotated Anodyne COC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 ZINC000587811104 IG Annotated Anodyne COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 ZINC000587811106 IG Annotated Anodyne COC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 ZINC000587811108 IG Annotated Anodyne COC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 ZINC000587812736 IG Annotated Anodyne COC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 ZINC000587812737 IG Annotated Anodyne COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 ZINC000587812738 IG Annotated Anodyne COC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 ZINC000587812739 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 ZINC000587837399 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 ZINC000587837400 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587837401 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587837402 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 ZINC000587837763 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587837764 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@H]1[C@H]4[C@@H]3[C@H]12 ZINC000587837765 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 ZINC000587837766 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838003 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838007 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838008 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838010 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838107 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838108 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838110 IG Annotated Anodyne CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838111 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838307 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838308 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838309 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838310 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838311 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838312 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838313 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587838314 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587838356 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587838358 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587838362 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587838363 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587838986 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587838987 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587838988 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587838989 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839351 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839357 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839359 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839360 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839366 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839369 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839370 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587839372 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839482 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839483 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839484 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839485 IG Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587839614 IG Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587839623 IG Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587839627 IG Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O ZINC000587839630 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839695 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839697 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839699 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 ZINC000587839700 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839890 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839892 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839893 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587839895 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840144 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587840145 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587840982 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587840983 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587840984 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 ZINC000587840986 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587841136 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587841137 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587841138 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587841139 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587841194 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587841195 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587841196 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 ZINC000587841197 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841549 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841551 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841552 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841553 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841554 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841555 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841556 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 ZINC000587841557 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841566 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841567 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841568 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841569 IG Annotated Anodyne Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587841604 IG Annotated Anodyne Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587841605 IG Annotated Anodyne Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587841606 IG Annotated Anodyne Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O ZINC000587841607 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587842259 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587842261 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587842263 IG Annotated Anodyne CNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587842264 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587842684 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587842685 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587842686 IG Annotated Anodyne CNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587842687 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587843330 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587843331 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587843360 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587843361 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587843362 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 ZINC000587843363 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587843388 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587843389 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587843390 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 ZINC000587843391 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843406 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843407 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843408 IG Annotated Anodyne Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843409 IG Annotated Anodyne CCOC(=O)C1=CN=[S@](C)(O)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843525 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843527 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843530 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843531 IG Annotated Clean Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843746 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843747 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843748 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843749 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844038 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844039 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844040 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844041 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844610 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844613 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844615 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 ZINC000587844619 IG Annotated Anodyne CCOC(=O)C1=CN=[S@](C)(O)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845779 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845780 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845781 IG Annotated Clean CCOC(=O)C1=CN=[S@](C)(O)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587845782 IG Annotated Clean Cc1nn(C)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848016 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848017 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848018 IG Annotated Anodyne Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848019 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848791 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848795 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848797 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587848798 IG Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851919 IG Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851920 IG Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851921 IG Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587851922 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587852180 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587852181 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587852182 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587852183 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852234 IG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852235 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852236 IG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852237 IG Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587852278 IG Annotated Anodyne Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587852279 IG Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587852280 IG Annotated Anodyne Cc1cccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587852281 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587853535 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587853537 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587853538 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587853539 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587856837 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587856838 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587856839 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 ZINC000587856840 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587858252 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587858253 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587858254 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587858255 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCSCCC(=O)NN ZINC000587858762 IG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587859465 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587859466 IG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587859467 IG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1SCC2(CO)CO ZINC000587859468 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(O)nc1O ZINC000587859742 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 ZINC000587859967 IG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587860103 IG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587860104 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587860105 IG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 ZINC000587860106 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C ZINC000587860392 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN1S(C)(=O)=O ZINC000587860394 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN1S(C)(=O)=O ZINC000587860403 IG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCN1CCOCC1 ZINC000587860531 IG Annotated Anodyne COc1nn(CCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587862420 IG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000587862927 IG Annotated Anodyne COc1nn(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1[N+](=O)[O-] ZINC000587863074 IG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1c(O)nc2ccccc2c1=O ZINC000587863438 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 ZINC000587863443 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 ZINC000587863444 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 ZINC000587863513 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NN/C(=C/c2ccccc2)C(=O)N1 ZINC000587863516 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCSSCCC(=O)NN ZINC000587863649 IG Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCCCN1CCOCC1 ZINC000587863665 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCCN1C(=O)CN(C)C1=O ZINC000587863675 IG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000587863743 IG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])c(OC)n1 ZINC000587865764 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1Br ZINC000587866413 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]c(C)c1Br ZINC000587866451 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Br)cn1 ZINC000587866627 IG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCN1CCOCC1 ZINC000587866790 IG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCSCCC(=O)NN ZINC000587866816 IG Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000587866846 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C)c1Br ZINC000587867089 IG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000587867284 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Br)c(C)nn1C ZINC000587867375 IG Annotated Anodyne COC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587867408 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Br)cnn1C ZINC000587867464 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000587867767 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCCNC(=O)OC(C)(C)C ZINC000587867794 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587867985 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCCCCCC(=O)NN ZINC000587868145 IG Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000587868247 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587868364 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)nc2ncnn12 ZINC000587868392 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000587868403 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 ZINC000587868715 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 ZINC000587868804 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O ZINC000587868863 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587868939 IG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587868941 IG Annotated Bother C=C1C=C(n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)N2NC(C(F)(F)F)=NC2=N1 ZINC000587869053 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587869085 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000587869086 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000587869276 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587869303 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000587869353 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1C(=O)COc2ccccc21 ZINC000587869359 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(Cc2ccccc2)c1N ZINC000587869392 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587869421 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 ZINC000587869422 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000587869423 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000587869424 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(C(=O)NN)cc2s1 ZINC000587869460 IG Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000587869531 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000587869568 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000587869822 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000587869823 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(c2ncccn2)CC1 ZINC000587869837 IG Annotated Anodyne CCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2ccccc2c1=O ZINC000587869866 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000587870029 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000587870030 IG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(-c2ccccc2)c1N ZINC000587870133 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1I ZINC000587870725 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1n[nH]cc1I ZINC000587870989 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(I)cnn1C ZINC000587871052 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(NN)c(Cl)c(N)c1Cl ZINC000587871209 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000587871567 IG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN(C(=O)c2ccccc2)CC1 ZINC000587871648 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2o1 ZINC000587871894 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000587871992 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587872025 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CCOC ZINC000587872712 IG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587872860 IG Annotated Anodyne O=C(c1ccn(Cn2cc(Br)cn2)n1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873285 IG Annotated Anodyne O=C(c1nc(-c2cn(-c3cccc(F)c3)nn2)no1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873464 IG Annotated Anodyne O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587874790 IG Annotated Anodyne CCOC(=O)C1=C(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)C(C)(C)OC1=O ZINC000587876310 IG Annotated Mild O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876649 IG Annotated Anodyne COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1[N+](=O)[O-] ZINC000587877236 IG Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)cc1[N+](=O)[O-] ZINC000587877363 IG Annotated Mild O=Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1N1CCOCC1 ZINC000587877583 IG Annotated Mild N#Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1N1CCOCC1 ZINC000587877617 IG Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC#N ZINC000587877636 IG Annotated Mild NC(=O)c1cc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587877637 IG Annotated Mild COc1cc(C=O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC(C)=O ZINC000587877659 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 ZINC000587877783 IG Annotated Mild CCOC(=O)COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1C=O ZINC000587877871 IG Annotated Mild COC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)OC ZINC000587877907 IG Annotated Mild COC(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877951 IG Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000587878300 IG Annotated Mild COc1cc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(C)=O ZINC000587878332 IG Annotated Mild COC(=O)c1ccc(C(=O)OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878411 IG Annotated Mild COC(=O)c1cc(NC(C)=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878439 IG Annotated Mild CC(C)c1ccc(OCC(=O)NN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878479 IG Annotated Reactive CCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878580 IG Annotated Mild CC(=O)OCc1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878657 IG Annotated Mild COC(=O)[C@@H](Cc1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)N=O ZINC000587878690 IG Annotated Mild COC(=O)[C@H](Cc1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)N=O ZINC000587878691 IG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)OC)c1 ZINC000587878720 IG Annotated Mild Cc1cc(N2CCC[C@H](N)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878869 IG Annotated Mild Cc1cc(N2CCC[C@@H](N)C2=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878871 IG Annotated Mild O=N[C@@H](Cc1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587878910 IG Annotated Mild O=N[C@H](Cc1ccc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)O ZINC000587878911 IG Annotated Mild CN(Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)CCN ZINC000587879004 IG Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c2c1CCCO2 ZINC000587879165 IG Annotated Mild C[C@@H](Oc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879427 IG Annotated Mild C[C@H](Oc1ccc(C=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879428 IG Annotated Mild NCc1nc(Cc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000587879490 IG Annotated Mild COC(=O)C(=O)/C=C\c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879619 IG Annotated Mild COC(=O)C(=O)/C=C/c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879620 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-n1nnnc1CCl ZINC000587879688 IG Annotated Reactive COCCN[C@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879714 IG Annotated Mild COCCN[C@@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879715 IG Annotated Mild CN1CCN(Cc2ccc(N)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587879735 IG Annotated Mild O=C(O)C[C@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879767 IG Annotated Mild O=C(O)C[C@@H](C(=O)O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879768 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000587879947 IG Annotated Mild N#Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N1CCOCC1 ZINC000587880010 IG Annotated Mild CCOC(=O)c1ncnc(Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880022 IG Annotated Mild O=Cc1ccc(N2CCOCC2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880044 IG Annotated Mild COc1ccc(-c2nc(=O)o[nH]2)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880103 IG Annotated Mild N#Cc1c([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880144 IG Annotated Mild CCOC(=O)C(=O)c1ccc(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880172 IG Annotated Mild COC(=O)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)OC ZINC000587880294 IG Annotated Mild O=Cc1ccc(N2CCOCC2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587880301 IG Annotated Mild CN(C)C[C@H](C#N)[C@@H](O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880383 IG Annotated Mild CN(C)C[C@@H](C#N)[C@H](O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880384 IG Annotated Mild CN(C)C[C@H](C#N)[C@H](O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880385 IG Annotated Mild CN(C)C[C@@H](C#N)[C@@H](O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880386 IG Annotated Mild COc1c(C(=O)O)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880417 IG Annotated Mild CCCOc1n[nH]c(C(=O)OCC)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880436 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O ZINC000587880583 IG Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCC1OCCO1 ZINC000587880782 IG Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000587880786 IG Annotated Mild Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCc2nonc2C)n1 ZINC000587880890 IG Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587880915 IG Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O)C(=O)O ZINC000587880979 IG Annotated Mild C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O)C(=O)O ZINC000587880980 IG Annotated Mild COC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880982 IG Annotated Mild Nc1nc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1 ZINC000587881017 IG Annotated Mild COC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587881044 IG Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N1CCOCC1 ZINC000587881108 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)c(N2CCOCC2)c1 ZINC000587881273 IG Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)[nH]c1/C=C/N(C)C ZINC000587881329 IG Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)[nH]c1/C=C\N(C)C ZINC000587881360 IG Annotated Mild COC(=O)c1nc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587881592 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2=C[C@@H](C(=O)O)ON2)c1 ZINC000587882144 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2=C[C@H](C(=O)O)ON2)c1 ZINC000587882145 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(N2CC[C@@H](C(=O)O)C2=O)c1 ZINC000587882152 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(N2CC[C@H](C(=O)O)C2=O)c1 ZINC000587882153 IG Annotated Mild O=C1CC(C(=O)O)(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587882196 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Cn2ccc(O)nc2=O)c1 ZINC000587882236 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2CC(=O)NC(=O)C2)c1 ZINC000587882252 IG Annotated Mild COC(=O)C(=O)/C=C/c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882279 IG Annotated Mild COC(=O)C(=O)/C=C\c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882280 IG Annotated Mild NC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CCOCC1 ZINC000587882392 IG Annotated Mild C=C(C(=O)OC)[C@H](O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882517 IG Annotated Mild C=C(C(=O)OC)[C@@H](O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882518 IG Annotated Mild CCOCCNC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882566 IG Annotated Mild O=C(O)C[C@H](C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882699 IG Annotated Mild O=C(O)C[C@@H](C(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882700 IG Annotated Mild CN(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882747 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(NC(C)=O)c1 ZINC000587882777 IG Annotated Mild CCOC(=O)[C@@H](O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882795 IG Annotated Mild CCOC(=O)[C@H](O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882796 IG Annotated Mild CCOC(=O)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587882926 IG Annotated Mild CCNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587882931 IG Annotated Mild O=C(O)CCC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O ZINC000587882989 IG Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N2CCOCC2)c1 ZINC000587883060 IG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C[C@H](C#N)C(N)=O)c1 ZINC000587883092 IG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C[C@@H](C#N)C(N)=O)c1 ZINC000587883093 IG Annotated Mild C[C@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)NC1=O ZINC000587883191 IG Annotated Mild C[C@@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)NC1=O ZINC000587883192 IG Annotated Mild COC(=O)C(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883402 IG Annotated Mild COC(=O)C(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883403 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CNC[C@@H]2C(=O)O)cc1 ZINC000587883436 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1 ZINC000587883437 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CNC[C@H]2C(=O)O)cc1 ZINC000587883438 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CNC[C@H]2C(=O)O)cc1 ZINC000587883439 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(C(=O)O)CC(O)C2)cc1 ZINC000587883658 IG Annotated Mild N#Cc1cnc(N)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883724 IG Annotated Mild C[C@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)OC1=O ZINC000587883734 IG Annotated Reactive C[C@@]1(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC(=O)OC1=O ZINC000587883735 IG Annotated Reactive Cc1cc(C(=O)NN)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884035 IG Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H](C(=O)O)CC(=O)N2 ZINC000587884081 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H](C(=O)O)CC(=O)N2 ZINC000587884083 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@@H]2CN[C@H](C(=O)O)C2)cc1 ZINC000587884179 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CC(C(=O)O)C(=O)O)cc1 ZINC000587884208 IG Annotated Mild CN[C@@](C)(C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884333 IG Annotated Mild CN[C@](C)(C(=O)OC)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884334 IG Annotated Mild CCOCCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884397 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)C[C@@H](C(=O)O)O2 ZINC000587884430 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)C[C@H](C(=O)O)O2 ZINC000587884431 IG Annotated Mild O=C(O)C[C@H](C(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884470 IG Annotated Mild O=C(O)C[C@@H](C(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884471 IG Annotated Mild COC(=O)[C@@H]1CC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O1 ZINC000587884506 IG Annotated Mild COC(=O)[C@H]1CC(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O1 ZINC000587884507 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)NC(=O)C21CCNCC1 ZINC000587884521 IG Annotated Mild COC(=O)C(=O)CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884536 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)N1C(=O)ONC1=CO2 ZINC000587884591 IG Annotated Mild COC(=O)C[C@@](C)(N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884615 IG Annotated Mild COC(=O)C[C@](C)(N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884616 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CN2CCOCC2)cc1 ZINC000587884635 IG Annotated Mild CC(=O)N[C@@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884664 IG Annotated Mild CC(=O)N[C@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884665 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](O)CN2CCOCC2)cc1 ZINC000587885039 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](O)CN2CCOCC2)cc1 ZINC000587885042 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnn(-c2ccc([N+](=O)[O-])cn2)c1 ZINC000587885081 IG Annotated Mild Nc1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c(=O)c1C=O ZINC000587885266 IG Annotated Mild N#C[C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587885382 IG Annotated Mild N#C[C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)N1CCNCC1 ZINC000587885386 IG Annotated Mild CCOC(=O)/C=C/c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885442 IG Annotated Mild CCOC(=O)/C=C\c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N ZINC000587885443 IG Annotated Mild CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)/C=C\N(C)C)n1 ZINC000587885591 IG Annotated Mild CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)/C=C/N(C)C)n1 ZINC000587885592 IG Annotated Mild CCCc1nc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)no1 ZINC000587885811 IG Annotated Mild N[C@@H](Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12)C(=O)O ZINC000587885868 IG Annotated Mild N[C@H](Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12)C(=O)O ZINC000587885869 IG Annotated Mild CC(C)N1CCO[C@H](Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C1 ZINC000587885933 IG Annotated Mild CC(C)N1CCO[C@@H](Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)C1 ZINC000587885934 IG Annotated Mild O=C(O)CCc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587886038 IG Annotated Mild CON(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Cl ZINC000587886060 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc(N)oc12 ZINC000587886065 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]c3c(c2c1)CCNC3=O ZINC000587886066 IG Annotated Mild COC(=O)c1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587886080 IG Annotated Mild CCOC(=O)c1nnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1 ZINC000587886159 IG Annotated Mild CC(=O)c1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)CO2 ZINC000587886219 IG Annotated Mild COC(=O)Cc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCO2 ZINC000587886625 IG Annotated Mild COC(=O)c1cc(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2[nH]1 ZINC000587886857 IG Annotated Mild COC(=O)c1ncnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886950 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2[nH]cc([N+](=O)[O-])c(=O)c2c1 ZINC000587887019 IG Annotated Mild CC(C)(C)OC(=O)Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887257 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000587887463 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)[C@H]2CCCNC2)nc1 ZINC000587887483 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)[C@@H]2CCCNC2)nc1 ZINC000587887484 IG Annotated Mild CCN(CC)CCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887564 IG Annotated Mild COC(=O)/C=C/c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587887704 IG Annotated Mild COC(=O)/C=C\c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587887705 IG Annotated Mild CCOC(=O)c1n[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587887830 IG Annotated Mild C=C1NC(=O)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OC)cc2N1 ZINC000587888156 IG Annotated Mild COC(=O)c1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1=O ZINC000587888319 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(=O)cc(C(=O)O)[nH]c12 ZINC000587888336 IG Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1CC1(O)CCOCC1 ZINC000587888515 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2[nH]c(O)nc2c1 ZINC000587888522 IG Annotated Mild COC(=O)c1cc(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2[nH]1 ZINC000587888601 IG Annotated Mild N[C@@H](Cc1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc12)C(=O)O ZINC000587888674 IG Annotated Mild N[C@H](Cc1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc12)C(=O)O ZINC000587888676 IG Annotated Mild CC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587888752 IG Annotated Mild CCOC(=O)c1c(C)nc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc1-2 ZINC000587889105 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c(=O)c(C(=O)O)c[nH]c12 ZINC000587889140 IG Annotated Mild O=Cc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889155 IG Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1C1(O)CCOCC1 ZINC000587889163 IG Annotated Mild CCOC(=O)/C=C/c1c[nH]cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1=N ZINC000587889315 IG Annotated Mild CCOC(=O)/C=C\c1c[nH]cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1=N ZINC000587889320 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(CC2(O)CCOCC2)c1 ZINC000587889345 IG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)NC(=O)[C@@H](C)O2 ZINC000587889380 IG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)NC(=O)[C@H](C)O2 ZINC000587889382 IG Annotated Mild CCOC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(N)nc2c1 ZINC000587889790 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)[C@H]2CCCOC2)n1 ZINC000587889805 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(NC(=O)[C@@H]2CCCOC2)n1 ZINC000587889806 IG Annotated Mild COc1ncc(Br)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889874 IG Annotated Mild CN(C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Br ZINC000587889979 IG Annotated Mild COC(=O)c1cc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Cl ZINC000587889989 IG Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c(Br)n1 ZINC000587890006 IG Annotated Mild COc1nc(Br)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890025 IG Annotated Mild CON(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Cl ZINC000587890041 IG Annotated Mild COC(=O)c1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cccnc2c1O ZINC000587890065 IG Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1Br ZINC000587890114 IG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(N)nc2c1 ZINC000587890241 IG Annotated Mild N#Cc1cc(Br)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890274 IG Annotated Mild CN(Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1)C(=O)CCl ZINC000587890563 IG Annotated Reactive COC(=O)c1cc(O)c2n[nH]c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000587890700 IG Annotated Mild CCOC(=O)Cc1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587890772 IG Annotated Mild CCOC(=O)Cc1cnc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccn12 ZINC000587891057 IG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2c3c(nc12)CCNC3 ZINC000587891059 IG Annotated Mild CC(=O)c1cc2c(o1)C(=O)C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=CC2=O ZINC000587891073 IG Annotated Mild COC(=O)c1cn2cc(C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2n1 ZINC000587891155 IG Annotated Mild CCOC(=O)Cc1cnc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n12 ZINC000587891165 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(CCl)cc(=O)n2c1 ZINC000587891293 IG Annotated Reactive CCOC(=O)Cc1cnc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccn12 ZINC000587891327 IG Annotated Mild CCOC(=O)CC1=CNC2=CC=C(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)CN12 ZINC000587891342 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)c2nnc(O)n2c1 ZINC000587891785 IG Annotated Mild O=C(O)Cc1c(F)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587892108 IG Annotated Mild CCOC(=O)c1[nH]nc(OC(F)F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892462 IG Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1OCC(F)(F)F ZINC000587892994 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(C(=O)O)c1F ZINC000587893127 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(F)c([N+](=O)[O-])c1 ZINC000587893425 IG Annotated Mild CON(C)C(=O)Cc1cccc(F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893556 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1F ZINC000587894228 IG Annotated Mild NS(=O)(=O)c1c(Cl)cccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895207 IG Annotated Mild Cc1cc(NS(C)(=O)=O)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895400 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)CCS2(=O)=O ZINC000587895444 IG Annotated Mild CS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587895704 IG Annotated Mild CS(=O)(=O)c1cc([N+](=O)[O-])ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895734 IG Annotated Mild N#CCS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896097 IG Annotated Mild CCCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896117 IG Annotated Mild CCNS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896150 IG Annotated Mild CS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587896173 IG Annotated Mild NS(=O)(=O)c1cccc(Cl)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896194 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(S(=O)(=O)c2ccccc2)cn1 ZINC000587896455 IG Annotated Mild O=C(O)C[S@](=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896624 IG Annotated Mild O=C(O)C[S@@](=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896631 IG Annotated Mild CS(=O)(=O)c1cc([N+](=O)[O-])c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587896698 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000587896741 IG Annotated Mild Cn1c(S)nnc1-c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1O ZINC000587896844 IG Annotated Mild CN(c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000587896850 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c2c(=O)cc(C(=O)O)[nH]c12 ZINC000587896882 IG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NS(C)(=O)=O ZINC000587897000 IG Annotated Mild CC(C)NS(=O)(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897001 IG Annotated Mild CS(=O)(=O)c1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897050 IG Annotated Mild CCNS(=O)(=O)c1cc(C)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897090 IG Annotated Mild CC(C)NS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897149 IG Annotated Mild CCNS(=O)(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897275 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000587897369 IG Annotated Mild C=C(NOCC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897472 IG Annotated Mild CCN1CCN(c2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)CC1 ZINC000587897595 IG Annotated Mild CC(=O)Nc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587897607 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000587898765 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1 ZINC000587898766 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1 ZINC000587898767 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1 ZINC000587898769 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2N[C@H](C(=O)O)CS2)c1 ZINC000587899260 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2N[C@H](C(=O)O)CS2)c1 ZINC000587899261 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2N[C@@H](C(=O)O)CS2)c1 ZINC000587899262 IG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2N[C@@H](C(=O)O)CS2)c1 ZINC000587899263 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OC)c2c1C(=NOCCCC(=O)O)C(=O)N2 ZINC000587910241 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000587910478 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccn2c(O)nnc2c1I ZINC000587917759 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC)c(=O)c(I)cn1C ZINC000587918034 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1CNS(=O)(=O)c1ccc(N)nc1 ZINC000587918112 IG Annotated Mild C=C(N)NS(=O)(=O)c1cc(Br)ccc1C#Cc1cc(Cl)ccc1OC ZINC000587918452 IG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(-c2ccc(S(=O)(=O)NC3CC3)cc2)c1 ZINC000587919375 IG Annotated Mild CCN(c1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1)S(C)(=O)=O ZINC000587922554 IG Annotated Anodyne CCN(c1ccc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)cc1)S(C)(=O)=O ZINC000587922559 IG Annotated Anodyne C/C=C1/NNC(=O)C(c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)=C1CC ZINC000587923428 IG Annotated Anodyne C/C=C1\NNC(=O)C(c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)=C1CC ZINC000587923429 IG Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1)S(C)(=O)=O ZINC000587923599 IG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000587923732 IG Annotated Anodyne COc1ccccc1NC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 ZINC000587923761 IG Annotated Anodyne CN(c1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1)S(C)(=O)=O ZINC000587924030 IG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC ZINC000587925057 IG Annotated Anodyne COC(=O)c1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(O[C@H]2CCOC2)c1 ZINC000587925075 IG Annotated Bother COC(=O)c1ccc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(O[C@@H]2CCOC2)c1 ZINC000587925076 IG Annotated Bother COc1ccc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(O)c2)cc1OC ZINC000587926403 IG Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC ZINC000587927523 IG Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587928135 IG Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587928136 IG Annotated Anodyne COc1cccc(C2(c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)CCCC2)c1 ZINC000587932502 IG Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC ZINC000587934930 IG Annotated Anodyne COC(=O)c1cc(-n2c(OC)cc(C(=O)OC)c2OC)c(Cl)cc1Br ZINC000587935446 IG Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1OC ZINC000587936532 IG Annotated Anodyne CC(=O)SCc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587936847 IG Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 ZINC000587937005 IG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937822 IG Annotated Bother Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937856 IG Annotated Bother CCOC(=O)c1cc(OCC)n(-c2cc(C(=O)O)ncc2Br)c1OCC ZINC000587938806 IG Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)O)ncc1Br ZINC000587938859 IG Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1cc(C(=O)O)ncc1Br ZINC000587938860 IG Annotated Bother CCOc1cc(CC(C)=O)c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939267 IG Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587939657 IG Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939684 IG Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2cc(Br)cnc2Br)c1OC ZINC000587939724 IG Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(Cl)cc(Br)c1 ZINC000587939985 IG Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1OC ZINC000587940017 IG Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587940167 IG Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccnc(CCl)n2)c1OCC ZINC000587941047 IG Annotated Reactive COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1OC ZINC000587941327 IG Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccnc(CCl)n2)c1OCC ZINC000587941360 IG Annotated Reactive CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccnc(CCl)n2)c1OCC ZINC000587941679 IG Annotated Reactive COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(Cl)cc(Br)c2)c1OC ZINC000587941696 IG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1NCc1ccccc1Br ZINC000587942047 IG Annotated Bother COc1cccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)c1 ZINC000587942053 IG Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(Cl)cc(Br)c2)c1OC ZINC000587942055 IG Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 ZINC000587942058 IG Annotated Bother Cc1cc(OCCn2c(O)c(CC(=O)O)c(CC(=O)O)c2O)c(C(C)C)cc1Cl ZINC000587943359 IG Annotated Anodyne O=C1Cc2c3c(n(-c4ccc(F)c(C(=O)OCc5ccccc5)c4F)c2O1)OC(=O)C3 ZINC000587943551 IG Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC ZINC000587943553 IG Annotated Bother COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(F)c(Br)cc2F)c1OC ZINC000587943709 IG Annotated Anodyne Cc1cc(-n2c(O)ccc2OCCn2c([N+](=O)[O-])cnc2C)nn1Cc1ccccc1F ZINC000587944254 IG Annotated Bother COC(=O)Cc1cc(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC ZINC000587945730 IG Annotated Anodyne CC(=O)SCc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587946772 IG Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587950877 IG Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587950878 IG Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587950879 IG Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587950880 IG Annotated Anodyne O=S(=O)(c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1)N1CCOCC1 ZINC000587951504 IG Annotated Anodyne O=C(O)Cc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587960452 IG Annotated Anodyne CCN(CC(=O)NCCF)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059049774 IG Annotated Anodyne CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059050235 IG Annotated Anodyne CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059050237 IG Annotated Anodyne Cn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)C[C@@H](C1CCOCC1)CC2 ZINC000059051184 IG Annotated Anodyne Cn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)C[C@H](C1CCOCC1)CC2 ZINC000059051187 IG Annotated Anodyne CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059051410 IG Annotated Anodyne CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059051412 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 ZINC000059068038 IG Annotated Anodyne CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(c2)CCC3)c(O)cc1OP(=O)(O)O ZINC000059113723 IG Annotated Anodyne C[C@H](C(=O)O)[C@H]1CC[C@@]2(C)[C@@H]3C(=O)[C@@H]4O[C@]45[C@@H](CCC(=O)C5(C)C)[C@]3(C=O)CC[C@]12C ZINC000059205354 IG Annotated Anodyne CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 ZINC000059260587 IG Annotated Anodyne CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 ZINC000059260589 IG Annotated Anodyne CSc1cccc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)n1 ZINC000059262676 IG Annotated Mild COC1=[N+](OO)C(C)=C(O)N/C1=C\c1ccc(OC/C=C(\C)CC[C@H](O)C(C)(C)O)cc1 ZINC000059371133 IG Annotated Reactive Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1C ZINC000059545794 IG Annotated Anodyne Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1C ZINC000059545795 IG Annotated Anodyne CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 ZINC000059545796 IG Annotated Anodyne CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 ZINC000059545797 IG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000059566024 IG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 ZINC000059566026 IG Annotated Anodyne Cc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)c(C)c1 ZINC000059790559 IG Annotated Anodyne C=C(C)[C@@H]1CC=C(CN2C[C@H](NC(=O)c3ccc(OC)cc3OC)C[C@H]2C(=O)OC)CC1 ZINC000059790681 IG Annotated Mild CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860184 IG Annotated Anodyne CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860185 IG Annotated Anodyne CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860186 IG Annotated Anodyne CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000059860187 IG Annotated Anodyne CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000059878649 IG Annotated Bother CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000059878650 IG Annotated Bother CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 ZINC000059890248 IG Annotated Mild CCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)cc1 ZINC000059890250 IG Annotated Mild O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000059938848 IG Annotated Bother O=C(NCc1ccco1)[C@@]12CN(Cc3ccccc3)C[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NO2 ZINC000059938849 IG Annotated Bother CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccco1 ZINC000059947182 IG Annotated Bother COc1cc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O ZINC000006001870 IG Annotated Anodyne C1CSC(Sc2nc(SC3=NCCS3)nc(SC3=NCCS3)n2)=N1 ZINC000006001878 IG Annotated Anodyne COc1ccc([C@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC ZINC000006003319 IG Annotated Anodyne COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000006006610 IG Annotated Anodyne COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000006006611 IG Annotated Anodyne COC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000006006614 IG Annotated Anodyne C#CC[C@@H]1C(=O)N(Cc2ccc(OC)cc2)[C@@H](C(C)C)C(=O)N1Cc1ccc(OC)cc1 ZINC000006018413 IG Annotated Mild COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1 ZINC000006040759 IG Annotated Anodyne O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000006146870 IG Annotated Reactive CCCC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2c1=O ZINC000006180941 IG Annotated Mild CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H](C)CC)c(=O)c3c2)cc1 ZINC000006181221 IG Annotated Anodyne CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@H](C)CC)c(=O)c3c2)cc1 ZINC000006181222 IG Annotated Anodyne CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1=O ZINC000006181266 IG Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)C)c(=O)c3c2)cc1C ZINC000006181288 IG Annotated Anodyne CCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@H](O)CCl)cc1[N+](=O)[O-] ZINC000006196557 IG Annotated Reactive CCOc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SC[C@@H](O)CCl)cc1[N+](=O)[O-] ZINC000006196560 IG Annotated Reactive CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCCCN(C)C)cc2c1 ZINC000006197726 IG Annotated Anodyne C#C/C=C(\c1ccc([S@](C)=O)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278110 IG Annotated Mild C#C/C=C(\c1ccc([S@@](C)=O)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278112 IG Annotated Mild Cc1ccc2nc(O)c(CN(Cc3cccnc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000006281518 IG Annotated Anodyne Cc1ccc2nc(O)c(CN(Cc3cccnc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000006281521 IG Annotated Anodyne Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1 ZINC000006296691 IG Annotated Anodyne CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O ZINC000006296703 IG Annotated Anodyne CC(C)CCNC(=O)[C@@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000061695562 IG Annotated Bother CC(C)CCNC(=O)[C@]12CN(Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2 ZINC000061695563 IG Annotated Bother CCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N/c1ccccc1OC ZINC000061715023 IG Annotated Mild CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N/c1ccccc1OC ZINC000061715024 IG Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 ZINC000061895337 IG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 ZINC000061895338 IG Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061895578 IG Annotated Anodyne CC(=O)Oc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061895657 IG Annotated Anodyne CC(=O)Oc1ccc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061895658 IG Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc3cccnc23)on1 ZINC000061895712 IG Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccc3cccnc23)on1 ZINC000061895713 IG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc12 ZINC000061895773 IG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc12 ZINC000061895774 IG Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1Oc1ccccc1 ZINC000061895958 IG Annotated Anodyne C=CCOc1ccc(Cl)cc1-c1noc(-c2csc([C@H]3C[C@H](O)[C@@H](CO)O3)n2)n1 ZINC000061897047 IG Annotated Mild CCc1nc2ccc(C(=O)N(C)CCCN(C)C)cn2c1N(C)C(=O)C1CCCCC1 ZINC000061897141 IG Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061897173 IG Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 ZINC000061897174 IG Annotated Anodyne C[C@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F ZINC000061897274 IG Annotated Anodyne C[C@@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F ZINC000061897275 IG Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061897845 IG Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061897846 IG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)nc1 ZINC000061898710 IG Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)nc1 ZINC000061898711 IG Annotated Mild CCCCc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061902759 IG Annotated Anodyne CCCCc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 ZINC000061902760 IG Annotated Anodyne O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903158 IG Annotated Anodyne O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 ZINC000061903159 IG Annotated Anodyne CN1CCN(c2ccc(CNC(=O)[C@@H]3Cc4c(-c5cccc(F)c5)ccnc4O3)cc2)CC1 ZINC000061904381 IG Annotated Clean CN1CCN(c2ccc(CNC(=O)[C@H]3Cc4c(-c5cccc(F)c5)ccnc4O3)cc2)CC1 ZINC000061904382 IG Annotated Clean O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1Oc1ccccc1 ZINC000061906471 IG Annotated Anodyne COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 ZINC000061906583 IG Annotated Anodyne COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 ZINC000061906584 IG Annotated Anodyne Cc1noc(-c2ccccc2)c1NC(=O)Nc1ccc2nc([C@H]3C[C@H](O)[C@@H](CO)O3)[nH]c2c1 ZINC000061906732 IG Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2ccc(N(C)C)cc2)O3)c1 ZINC000061906758 IG Annotated Clean CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)O3)c1 ZINC000061906759 IG Annotated Clean CCCC(C)(C)C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000061906781 IG Annotated Anodyne CCCC(C)(C)C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 ZINC000061906782 IG Annotated Anodyne COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061907339 IG Annotated Anodyne COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 ZINC000061907340 IG Annotated Anodyne COc1cc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc(OC)c1 ZINC000061908147 IG Annotated Anodyne COc1cc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc(OC)c1 ZINC000061908148 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061920949 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 ZINC000061920950 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921001 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921002 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000061921226 IG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(C)cc2)C1=O ZINC000061921233 IG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061921524 IG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061921526 IG Annotated Anodyne COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921570 IG Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 ZINC000061921576 IG Annotated Anodyne COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061921785 IG Annotated Anodyne COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 ZINC000061921787 IG Annotated Anodyne CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000061922051 IG Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C ZINC000061922180 IG Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000061922789 IG Annotated Anodyne CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C ZINC000061922868 IG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 ZINC000061922933 IG Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 ZINC000061922935 IG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923386 IG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 ZINC000061923388 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923446 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923449 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000061923473 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 ZINC000061923474 IG Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000061924214 IG Annotated Anodyne Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000061924217 IG Annotated Anodyne O=S1(=O)c2ccc(Br)cc2-n2nncc2CN1Cc1cccc(Cl)c1 ZINC000061924272 IG Annotated Anodyne COC(=O)[C@H](CC(C)C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCl ZINC000061924411 IG Annotated Reactive COC(=O)[C@@H](CC(C)C)N(Cc1ccc(Br)cc1)S(=O)(=O)CCl ZINC000061924412 IG Annotated Reactive CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000061926059 IG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 ZINC000061926060 IG Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 ZINC000061926178 IG Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 ZINC000061926179 IG Annotated Anodyne CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)CCOC ZINC000061926512 IG Annotated Anodyne CCN(CCN(C)C)C(=O)c1ccc2nc(C)c(N(C)C(=O)CCc3ccccc3)n2c1 ZINC000061928612 IG Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061928748 IG Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1 ZINC000061928750 IG Annotated Anodyne CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000061928783 IG Annotated Anodyne CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000061928785 IG Annotated Anodyne CC(=O)Nc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061928909 IG Annotated Anodyne CC(=O)Nc1ccc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 ZINC000061928911 IG Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061928998 IG Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 ZINC000061929001 IG Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061929547 IG Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000061929551 IG Annotated Anodyne O=C(Cn1cc(COc2ccc(Br)cc2[N+](=O)[O-])nn1)c1ccc(O)cc1 ZINC000061931049 IG Annotated Bother C[C@@]12C(=O)N(C[C@@H]3CCCO3)CC(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931364 IG Annotated Anodyne C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061931366 IG Annotated Anodyne C=CCn1nc(C(=O)N2CCOCC2)cc1-c1sc(NC(=O)c2ccccc2)nc1C ZINC000061931512 IG Annotated Mild CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(N4CCOCC4)c3)C[C@@H]21 ZINC000061943070 IG Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(Br)c3)C[C@@H]21 ZINC000061943082 IG Annotated Anodyne CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943318 IG Annotated Anodyne CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 ZINC000061943330 IG Annotated Anodyne O=S(=O)(c1ccccc1Br)N(C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000061943368 IG Annotated Anodyne O=S(=O)(c1ccccc1Br)N(C[C@H](O)COCc1ccccc1)C1CC1 ZINC000061943369 IG Annotated Anodyne N#C/C(=C\c1cccn1S(=O)(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000061944519 IG Annotated Reactive COc1ccc(CN(C)C(=O)Cn2cnc3c(OCc4ccccc4)ncnc32)cc1OC ZINC000061947306 IG Annotated Anodyne CCCCN1C(=N)N([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C[C@H]1[C@H](C)CC ZINC000061947355 IG Annotated Anodyne COc1ccc2c(C(=O)NCCCCO)c(-c3ccc(S(C)(=O)=O)cc3)sc2c1 ZINC000061948004 IG Annotated Anodyne O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948769 IG Annotated Anodyne CC(C)(C)CNC(=O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948782 IG Annotated Anodyne C[C@@]12C(=O)NCC(=O)N1[C@@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061948810 IG Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@H]3Cc1ccc(O)cc1 ZINC000061949236 IG Annotated Anodyne COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@@H]3Cc1ccc(O)cc1 ZINC000061949237 IG Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@@H]3CCCO3)CC(=O)N12 ZINC000061949396 IG Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@H]3CCCO3)CC(=O)N12 ZINC000061949398 IG Annotated Anodyne C[C@H](OC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000061958680 IG Annotated Anodyne C[C@@H](OC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000061958682 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958793 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958794 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1cccc(OC)c1 ZINC000061958818 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1cccc(OC)c1 ZINC000061958819 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1CCc1ccccc1 ZINC000061958821 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1cccc(OC)c1 ZINC000061958826 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958863 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958865 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@@H]1c1ccc(F)c(Cl)c1 ZINC000061958875 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N[C@H]1c1ccc(F)c(Cl)c1 ZINC000061958877 IG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(-c3ccc(Cl)nc3)c2)S(=O)(=O)N(C)[C@@H]1C ZINC000061958942 IG Annotated Anodyne CCCN1[C@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000061958959 IG Annotated Anodyne CCCN1[C@@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000061958960 IG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000061959410 IG Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 ZINC000061959525 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C ZINC000061959593 IG Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000061959653 IG Annotated Anodyne COc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 ZINC000061959656 IG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccccc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000061959722 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@@]12C ZINC000061959739 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C ZINC000061959803 IG Annotated Anodyne CCCCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000061966172 IG Annotated Anodyne CCOCCCn1c(=NC(=O)c2cccs2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000061966176 IG Annotated Anodyne COc1cc(-c2noc(C)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc(OC)c1OC ZINC000061969112 IG Annotated Anodyne Cc1nnsc1C(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000061969844 IG Annotated Anodyne Cc1nnsc1C(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000061969845 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H](c1ccccc1F)N(C)C2=O ZINC000618005378 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@@H](c1ccccc1F)N(C)C2=O ZINC000618005385 IG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@H]4C2=O)cc1 ZINC000618005466 IG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3ccc(Cl)cc3)[C@H]4C2=O)cc1 ZINC000618005468 IG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 ZINC000618005469 IG Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)Nc1c(Cl)cccc1Cl ZINC000618005649 IG Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)Nc1c(Cl)cccc1Cl ZINC000618005652 IG Annotated Anodyne COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)c(OC)c1 ZINC000618005660 IG Annotated Anodyne COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)c2ccccc2)c(OC)c1 ZINC000618005669 IG Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)CCC#N)c3n2)cc1OC ZINC000618005795 IG Annotated Mild Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000618006353 IG Annotated Anodyne COc1ccc(CO/C(O)=C2\C(C)=Nc3nnnn3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000618007112 IG Annotated Anodyne COc1ccc(CO/C(O)=C2\C(C)=Nc3nnnn3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000618007113 IG Annotated Anodyne Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 ZINC000618007528 IG Annotated Anodyne COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(C(F)(F)F)cc1F ZINC000618007570 IG Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(F)cc1C(F)(F)F ZINC000618007818 IG Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(C(F)(F)F)c1F ZINC000618007919 IG Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(F)ccc1C(F)(F)F ZINC000618008091 IG Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000618008661 IG Annotated Reactive CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2nccc3ccccc23)CC1 ZINC000618008674 IG Annotated Reactive CN(C)CCSSCCCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 ZINC000618008839 IG Annotated Reactive CN(C)CCSSCCN(C)C(=O)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C ZINC000618010387 IG Annotated Reactive CN(C)CCSSCCN(C)C(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 ZINC000618010405 IG Annotated Reactive CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5ncc[nH]c-5n4)c3)CC2)CC1 ZINC000618011660 IG Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c[nH]cnc-5n4)c3)CC2)CC1 ZINC000618011818 IG Annotated Anodyne CN(C)CCSSCCn1cc(CSc2nc(O)cc(C(F)(F)F)n2)nn1 ZINC000618012386 IG Annotated Reactive CN(C)CCSSCCCNC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000618012522 IG Annotated Reactive CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@@H]2N1)C(=O)c1ccc2ccccc2c1O ZINC000618012970 IG Annotated Reactive CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@H]2N1)C(=O)c1ccc2ccccc2c1O ZINC000618012979 IG Annotated Reactive CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@@H]2N1)C(=O)c1ccc2ccccc2c1O ZINC000618012980 IG Annotated Reactive CCCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@H]2N1)C(=O)c1ccc2ccccc2c1O ZINC000618012981 IG Annotated Reactive Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@@H]3[C@H](N2)S[C@@H](C(=O)NCc2ccco2)[C@@H]3C)c1 ZINC000618013051 IG Annotated Anodyne Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@H]3[C@H](C)[C@H](C(=O)NCc4ccco4)S[C@H]3N2)c1 ZINC000618013057 IG Annotated Anodyne Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@H]3[C@H](C)[C@@H](C(=O)NCc4ccco4)S[C@H]3N2)c1 ZINC000618013058 IG Annotated Anodyne Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@@H]3[C@H](N2)S[C@H](C(=O)NCc2ccco2)[C@@H]3C)c1 ZINC000618013060 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000618014594 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000618014597 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000618014598 IG Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000618014599 IG Annotated Anodyne C[C@@H]1CC[C@@H]2N[C@@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@@H]2C1 ZINC000618014866 IG Annotated Anodyne C[C@@H]1CC[C@@H]2N[C@@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@H]2C1 ZINC000618014867 IG Annotated Anodyne C[C@@H]1CC[C@@H]2N[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@H]2C1 ZINC000618014869 IG Annotated Anodyne C[C@@H]1CC[C@@H]2N[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@@H]2C1 ZINC000618014870 IG Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H](N(Cc2nc3cc(Cl)ccc3s2)CC(C)C)[C@H]1N ZINC000618015607 IG Annotated Anodyne CC(C)CN(Cc1nc2cc(Cl)ccc2s1)[C@H]1C(=O)NC(=O)N(CC(C)C)[C@H]1N ZINC000618015608 IG Annotated Anodyne CC(C)CN(Cc1nc2cc(Cl)ccc2s1)[C@@H]1C(=O)NC(=O)N(CC(C)C)[C@@H]1N ZINC000618015609 IG Annotated Anodyne CC(C)CN(Cc1nc2cc(Cl)ccc2s1)[C@@H]1C(=O)NC(=O)N(CC(C)C)[C@H]1N ZINC000618015610 IG Annotated Anodyne O=C(O)COc1ccccc1CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CCCCC(=O)N2)C1 ZINC000618016764 IG Annotated Anodyne CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000618016892 IG Annotated Anodyne CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 ZINC000618016894 IG Annotated Anodyne O=C1CO[C@H]2CN(Cc3cccc(OCc4ccccn4)c3)C[C@@H]2N1CCc1ccccc1 ZINC000618016921 IG Annotated Anodyne Cc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)Cc4ccc(F)cc4)C3)CCOCC2)cc1 ZINC000618017054 IG Annotated Anodyne Cc1ccc(C2(C(=O)N3CC[C@](O)(CN(C)Cc4ccc(F)cc4)C3)CCOCC2)cc1 ZINC000618017056 IG Annotated Anodyne CCc1noc(CCC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)n1 ZINC000618017205 IG Annotated Anodyne Cc1cc(C)n(CC(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)n1 ZINC000618017319 IG Annotated Anodyne CCc1nccn1CC(=O)N1CCCCN(C)C(=O)c2cc(Cl)ccc2OCCC1 ZINC000618017719 IG Annotated Anodyne Cc1cccc(-c2ccccc2C[C@H]2C(=O)NCCN2C(=O)Cn2nc(C)c(C)c2C)c1 ZINC000618017788 IG Annotated Anodyne Cc1cccc(-c2ccccc2C[C@@H]2C(=O)NCCN2C(=O)Cn2nc(C)c(C)c2C)c1 ZINC000618017789 IG Annotated Anodyne CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1 ZINC000062224201 IG Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000062224560 IG Annotated Anodyne c1ccc(Cn2nnnc2[C@H](c2ccc3c(c2)CCO3)N2CCCN(C3CCC3)CC2)cc1 ZINC000062225161 IG Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4nc(C)c(C)s4)c(=O)n(C)c3nc12 ZINC000621431748 IG Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(I)c(OC)c(OC)c1 ZINC000621475799 IG Annotated Anodyne CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(I)c(OC)c(OC)c1 ZINC000621475800 IG Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 ZINC000621476510 IG Annotated Bother C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 ZINC000621485919 IG Annotated Anodyne Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1 ZINC000063298107 IG Annotated Clean COc1ccc(OC(C)=O)c(/C=N\NC(=O)[C@H](C)Oc2ccccc2Br)c1 ZINC000064245753 IG Annotated Reactive O=S(=O)(NC[C@H](NC12CCC(CC1)CNC2)c1ccccc1)c1ccc(Cl)cc1 ZINC000064277721 IG Annotated Anodyne COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)cc1 ZINC000064321219 IG Annotated Anodyne COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@H]3CCN(C)[C@H]3CO)c2O)n[nH]1 ZINC000064337830 IG Annotated Anodyne COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 ZINC000064348855 IG Annotated Anodyne CCOC(=O)Cc1csc(N(NC(=O)c2csc(-c3ccccc3)n2)C(C)=O)n1 ZINC000064447711 IG Annotated Reactive COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4c(C)cccc4nc3OC)CC2)c1 ZINC000064447998 IG Annotated Anodyne COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@@H](O)[C@@]2([C@@H](C)COC(C)=O)C=C[C@]3(C)OO2)cc1 ZINC000064448288 IG Annotated Reactive COc1ccc([C@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@@H]2CO)cc1OC ZINC000064448523 IG Annotated Anodyne O=c1cc(CCl)oc(CN2CCC(O)(c3ccc(Br)cc3)CC2)c1O ZINC000064485786 IG Annotated Reactive Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000064527547 IG Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C(/C)NNC(=O)N1CCc2cc(C(=O)O)ccc21 ZINC000064528138 IG Annotated Reactive CN(Cc1ccc2occc2c1)c1nc(=O)nc(Nc2ccccc2N2CCOCC2)[nH]1 ZINC000064539166 IG Annotated Anodyne COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2ccc(C(=O)N3CCCCC3)cc21 ZINC000064539322 IG Annotated Mild Cn1cncc1CN(CCN(Cc1ccccc1)S(=O)(=O)C1CC1)c1ccc(C#N)cc1 ZINC000064540142 IG Annotated Mild O=C(NCCc1ccccc1)NN1CN(Cc2ccccc2)[C@H](Cc2ccccc2)C1=O ZINC000064553136 IG Annotated Anodyne O=C(NCCc1ccccc1)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O ZINC000064553137 IG Annotated Anodyne COc1cc(C(=O)c2ccc(-c3csc(N)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000064553708 IG Annotated Anodyne COc1c(F)c(F)cc2c(=O)c(C(=O)NNC(=S)Nc3ccccc3)cn(C3CC3)c12 ZINC000064559301 IG Annotated Reactive CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCOCC5)cc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 ZINC000064559575 IG Annotated Anodyne CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1 ZINC000064560416 IG Annotated Anodyne Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3ccc(C)cc3)s2)cc1 ZINC000064564931 IG Annotated Anodyne O=S(=O)(N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1)C(F)(F)F ZINC000064721569 IG Annotated Anodyne COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)c(OC)c1 ZINC000006507094 IG Annotated Anodyne C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)C2=O ZINC000006576775 IG Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000006576817 IG Annotated Anodyne O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCc2ccccc2C1 ZINC000006577014 IG Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1 ZINC000006577135 IG Annotated Anodyne COc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000006577197 IG Annotated Anodyne CCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21 ZINC000006577570 IG Annotated Anodyne O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006577868 IG Annotated Anodyne aggregator Cc1c(C(=O)NC[C@H]2CCCO2)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000006577886 IG Annotated Anodyne Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 ZINC000006577905 IG Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C(C)C)cc1 ZINC000006578027 IG Annotated Anodyne COc1ccc2nccc(N3CCC(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1 ZINC000006716189 IG Annotated Anodyne CCOC(=O)C1CCC(CNC(=O)N2CCCn3nc(-c4ccncc4)cc3C2)CC1 ZINC000065225535 IG Annotated Anodyne Nc1ncc(-c2cc(C3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)nc(N3CC4CC3C4)n2)cn1 ZINC000653663044 IG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(C3CC3)n2)cc1OC(F)F ZINC000653665375 IG Annotated Anodyne C[C@@H](c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C(F)(F)F ZINC000653665773 IG Annotated Anodyne C[C@H](c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C(F)(F)F ZINC000653665774 IG Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc[n+](C)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653667300 IG Annotated Anodyne C[C@H]1CCc2cc(-c3ccc(N4CCOCC4)nn3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653667427 IG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)(F)C3)n2)cc1OC(F)F ZINC000653667719 IG Annotated Anodyne COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(Oc3ccccn3)c2)nc(C2CC2)n1 ZINC000653667733 IG Annotated Anodyne CC1(CN2C[C@H]3[C@@H](C2)[C@@H]3c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)COC1 ZINC000653671221 IG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3(C(F)(F)F)CC3)n2)cc1OC(F)F ZINC000653680459 IG Annotated Anodyne CN(C)c1ccc(-c2cnc3cnc(-c4ccc(NCCN5CCOCC5)nc4)cn23)cc1 ZINC000653682844 IG Annotated Anodyne C[C@H]1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683862 IG Annotated Anodyne C[C@@H]1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O ZINC000653683863 IG Annotated Anodyne Cc1ncc(Cl)cc1C(=O)N[C@@H]1CC[C@@H](Cn2c(=O)n(C)c3nccc(C)c32)CC1 ZINC000653684775 IG Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653685064 IG Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653685068 IG Annotated Anodyne N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCN3CCCCC3)c2nc1C#N ZINC000653686889 IG Annotated Mild CN(C)CCCO/N=C1\c2ccccc2-c2nc3c(CN4CCOCC4)cccc3nc21 ZINC000653686907 IG Annotated Mild CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653687052 IG Annotated Mild N#Cc1nc2c(-c3nc4ccccc4o3)c(N)n(CCCN3CCCCC3)c2nc1C#N ZINC000653687106 IG Annotated Mild COc1cc2nc(-c3ccccc3)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC ZINC000653687451 IG Annotated Anodyne COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1NCc1ccc(OC)cc1 ZINC000653689462 IG Annotated Bother CCN(CC)CCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653690537 IG Annotated Mild CN(C)CCCCn1c(N)c(-c2nc3ccc(Cl)cc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653690539 IG Annotated Mild COc1cc(C[n+]2cn(Cn3nnc4ccccc43)c3ccccc32)cc(OC)c1OC ZINC000653693453 IG Annotated Anodyne CCN(CC)CCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21 ZINC000653697805 IG Annotated Mild CCN(CC)CCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc(C#N)c(C#N)nc21 ZINC000653698672 IG Annotated Mild CCN(CC)CCCCn1c(-c2c(N)n(C)c3nc(C#N)c(C#N)nc23)nc2ccccc21 ZINC000653699955 IG Annotated Mild O=C(c1ccco1)c1c(C(F)(F)F)nc2cc(Cl)c(N3CCOCC3)cc2[n+]1[O-] ZINC000653700678 IG Annotated Clean Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cncs5)cn4)c3)n2)cn1 ZINC000653700788 IG Annotated Anodyne O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(N3CCOCC3)cc2n1O ZINC000653702259 IG Annotated Anodyne Nc1ccc2c(c1)Cc1cc(NC(=O)Nc3cc(N4CCCCC4)nc(N)[n+]3[O-])ccc1-2 ZINC000653704167 IG Annotated Anodyne Nc1ccc(Cc2ccc(NC(=O)Nc3cc(N4CCCCC4)nc(N)[n+]3[O-])cc2)cc1 ZINC000653704218 IG Annotated Clean O=[N+]([O-])c1ccc(-n2cc(CN3CCN(c4noc5cc(Cl)ccc45)CC3)nn2)cc1 ZINC000653708432 IG Annotated Bother COC(=O)CN[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653715984 IG Annotated Anodyne COC(=O)CN[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 ZINC000653715985 IG Annotated Anodyne O/N=C/c1cn(Cc2cn(-c3ccc(I)cc3)nn2)c2ncccc12 ZINC000653717061 IG Annotated Mild O/N=C/c1cn(Cc2cn(-c3ccccc3I)nn2)c2ncccc12 ZINC000653717080 IG Annotated Mild COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C(C)(C)C)CC3)nc1-2 ZINC000653717543 IG Annotated Anodyne CN(Cc1ccc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)cc1)CC1(C)COC1 ZINC000653720249 IG Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccc(C(F)(F)F)cc4)o3)nn2)c(N)n1 ZINC000653720533 IG Annotated Anodyne O=C(O)CC1(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)CN(CCC(F)(F)F)C1 ZINC000653722922 IG Annotated Anodyne COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ccccn4)nn3)ccc2O)c1 ZINC000653723599 IG Annotated Anodyne CNC[C@H](Cc1ccccc1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](CO)C1 ZINC000653723992 IG Annotated Anodyne CNC[C@@H](Cc1ccccc1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](CO)C1 ZINC000653725404 IG Annotated Anodyne O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(F)cc1 ZINC000653725552 IG Annotated Anodyne COCC[S@@](=O)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653725582 IG Annotated Mild COCC[S@](=O)CCC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000653725583 IG Annotated Mild COc1ccc(-c2nn(C3CCN(C(=O)C4(c5ccc(OC)cc5)CC4)CC3)c(=O)o2)cc1 ZINC000653729600 IG Annotated Anodyne Cc1sc2ncnc(SCC(=O)c3c[nH]c(CNS(=O)(=O)C4CC4)c3)c2c1C ZINC000653730502 IG Annotated Anodyne CC(=O)Nc1cc(Cl)ccc1/C=N/NC(=N)N/N=C/c1ccc(Cl)cc1NC(C)=O ZINC000653731204 IG Annotated Mild COc1ccc(C2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)cc1 ZINC000653735583 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N/C(CCNC2=CC(=O)c3ccccc3C2=O)=N/C(C)C)cc1 ZINC000653739197 IG Annotated Mild COc1cccc(CC2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)c1 ZINC000653742661 IG Annotated Anodyne N#Cc1ccc(C2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)cc1 ZINC000653746429 IG Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)NCC(=O)O ZINC000653748846 IG Annotated Anodyne C[C@@H]1[C@@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F ZINC000653751535 IG Annotated Anodyne C[C@H]1[C@@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F ZINC000653751536 IG Annotated Anodyne C[C@H]1[C@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F ZINC000653751537 IG Annotated Anodyne C[C@@H]1[C@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F ZINC000653751538 IG Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(-c4ccncc4)cc2)C3=O)n1 ZINC000653753170 IG Annotated Anodyne CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1 ZINC000653754874 IG Annotated Anodyne CC(C)CNC(=O)[C@H]1[C@H](C(=O)NCc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1 ZINC000653756196 IG Annotated Anodyne COc1ccccc1-c1csc2nc(N3CC[C@H](O)C3)nc(N3[C@H]4CC[C@H]3COC4)c12 ZINC000653756218 IG Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3cccc(Cl)c3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653759953 IG Annotated Mild CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3C[C@H](N4CCOCC4)C[C@H]32)n1 ZINC000653760077 IG Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3C[C@@H](N4CCOCC4)C[C@H]32)n1 ZINC000653760080 IG Annotated Anodyne CCNC(=O)Nc1cn(-c2ncc(C)c(CCC(=O)O)n2)c2cc(-c3cccnc3)cnc12 ZINC000653760748 IG Annotated Anodyne CO[C@@H](C)CN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653762219 IG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4CN([C@@H]5CCOC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653762255 IG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4CN([C@H]5CCOC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653762256 IG Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1CN(NC(=O)c1ccncc1)C(=O)c1ccncc1 ZINC000653762932 IG Annotated Reactive CN(C)CCNC(=O)c1cccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)c1 ZINC000653763860 IG Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3ccc4nnc(-c5ccc6nccnc6c5)n4c3)c2)CC1 ZINC000653765554 IG Annotated Anodyne Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 ZINC000653767610 IG Annotated Anodyne CN(C)C(=O)c1ccc(N(CC2CCNCC2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653768319 IG Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653768320 IG Annotated Anodyne C[C@@H](O)CC#Cc1csc2c(=NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)[nH]c12 ZINC000653768396 IG Annotated Mild O=C(CCCCCCCc1cn(-c2ccc(N3CCOCC3)cc2)nn1)N=c1cc[nH]cc1 ZINC000653768453 IG Annotated Anodyne O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cc3ccccc3n2)n1 ZINC000653771387 IG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4C[C@@H](N5CCOCC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653775779 IG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3[C@H]4C[C@H](N5CCOCC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F ZINC000653775780 IG Annotated Anodyne N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCc4cccc(F)c4)ccn23)cc1 ZINC000653780330 IG Annotated Anodyne C[C@@]1(c2cc(C#Cc3ccc(C#N)cc3)ccc2F)C[S@@]2(=O)=NCCCCN2C(=N)N1 ZINC000653784827 IG Annotated Mild Cc1c(C(F)(F)F)cc2nc(C3=N[C@H](C(=O)N4CCCC4)CO3)sc2c1[N+](=O)[O-] ZINC000653785019 IG Annotated Bother CC(C)OC(=O)C12C[C@H]3C[C@@H](CC(OC(=O)c4cc(N(O)[C@H]5CCCO5)on4)(C3)C1)C2 ZINC000653785891 IG Annotated Anodyne CC(C)OC(=O)C12C[C@H]3C[C@@H](CC(OC(=O)c4cc(N(O)[C@@H]5CCCO5)on4)(C3)C1)C2 ZINC000653785892 IG Annotated Anodyne O=C1O[C@@H](CNC(=O)C(F)(F)F)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653790197 IG Annotated Anodyne COC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 ZINC000653790213 IG Annotated Anodyne COc1ccc(-c2nc(NC(=O)NCCC(=O)NO)cc3c4ccccc4n(C)c23)cc1 ZINC000653791842 IG Annotated Bother Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2C[C@H]3C[C@@H](CN(C(=O)c4ccccc4)C3)C2)cc1 ZINC000653791871 IG Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)C1=S=C(N=[N+]=[N-])C(C#N)=C1c1ccc(Cl)cc1 ZINC000653794434 IG Annotated Reactive O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1cccc2ccccc12 ZINC000653795224 IG Annotated Mild O=C1c2cc3c(cc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCCC1)OCO3 ZINC000653795799 IG Annotated Clean Cc1cc2c(-c3nn[nH]n3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 ZINC000653799612 IG Annotated Anodyne O=S(=O)(Nc1cc(Cl)ccc1O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653801233 IG Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000653803569 IG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(N)cc3s2)CC1 ZINC000653803572 IG Annotated Anodyne C[C@H](NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-])C(=O)C1CCCC1 ZINC000653803774 IG Annotated Bother CCNS(=O)(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2 ZINC000653806040 IG Annotated Anodyne COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)oc2c1 ZINC000653806076 IG Annotated Bother CC[C@@H](c1nnnn1Cc1nccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807534 IG Annotated Anodyne CC[C@H](c1nnnn1Cc1nccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 ZINC000653807535 IG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(N)cccc3s2)CC1 ZINC000653807554 IG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(N)cccc3s2)CC1 ZINC000653807555 IG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(O)c3s2)CC1 ZINC000653807569 IG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(O)c3s2)CC1 ZINC000653807570 IG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)ccc3s2)CC1 ZINC000653807578 IG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)ccc3s2)CC1 ZINC000653807579 IG Annotated Anodyne CC(=O)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@@]2(CC[C@H]3[C@@]1(C)CC[C@H]1O[C@H](C)OC[C@@]31C)CO2 ZINC000653808101 IG Annotated Anodyne C=C1CCC[C@@]23C4=C(C[C@]2(C)[C@@H](C)CC[C@@]13C)C(=O)C=C(NCCS(=O)(=O)O)C4=O ZINC000653808749 IG Annotated Mild COc1cc(C)c(C(=O)NS(=O)(=O)c2ccccc2)cc1-c1ccc(C#CCO)s1 ZINC000653812640 IG Annotated Mild COc1cc(OC)c2c(=O)cc(N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)oc2c1 ZINC000653813188 IG Annotated Bother COC1CN(C(=O)c2ccc3cncc(-c4ccc5c(cnn5CC(C)(C)O)c4)c3c2)C1 ZINC000653817135 IG Annotated Anodyne COC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3c2)C1 ZINC000653817183 IG Annotated Anodyne CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(N5CCN(C)CC5)nc4)s3)[nH]nc21 ZINC000653819606 IG Annotated Clean CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCOCC5)nc4)s3)[nH]nc21 ZINC000653821002 IG Annotated Clean O=Cc1c(-c2ccccc2)nc2n1ccc1nc(-c3ccccc3)c(/C=N/NC3=NCCN3)n12 ZINC000653822701 IG Annotated Mild COC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 ZINC000653823799 IG Annotated Anodyne NCCNc1cc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)nc2ccccc12 ZINC000653825425 IG Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S[C@H]2CCN)cc1 ZINC000653830233 IG Annotated Anodyne COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S[C@@H]2CCN)cc1 ZINC000653830234 IG Annotated Anodyne Cc1ccc(C)c(OCCN[C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C ZINC000653833212 IG Annotated Anodyne Cc1ccc(C)c(OCCN[C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C ZINC000653833213 IG Annotated Anodyne Cc1cc(C)c(OCCN[C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 ZINC000653833217 IG Annotated Anodyne Cc1cc(C)c(OCCN[C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 ZINC000653833218 IG Annotated Anodyne COc1ccc(S(=O)(=O)n2nc(O)c(-c3cn(C(C)=O)c4ccccc34)c2C)cc1 ZINC000653836249 IG Annotated Anodyne CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCN(C)CC5)nc4)s3)[nH]nc21 ZINC000653836260 IG Annotated Clean C=CCN1C(=O)[C@@H](C(=O)OCC)S/C1=N\c1sc2c(c1C(=O)OCC)CCCC2 ZINC000653838762 IG Annotated Mild C=CCN1C(=O)[C@H](C(=O)OCC)S/C1=N\c1sc2c(c1C(=O)OCC)CCCC2 ZINC000653838766 IG Annotated Mild COc1ccc(CC(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc1OC ZINC000653842819 IG Annotated Anodyne CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(C)(=O)=O)c3n2)CC1 ZINC000653842838 IG Annotated Anodyne COc1cc(C)c(CNC[C@H](NC(=O)c2cc(C)on2)c2ccc(C#CCO)cc2)cc1C ZINC000653843969 IG Annotated Mild Cn1c(C(=O)NCCN2CCCC2)cc2c(-c3ccc(NC(=O)C(C)(C)C)cc3)ncnc21 ZINC000653844334 IG Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(C#N)cc3)cc(N3CCN(C)CC3)nc21 ZINC000653848796 IG Annotated Mild CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(C)=O)CC4)s3)cc21 ZINC000653850809 IG Annotated Anodyne O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCC[C@H](F)C1 ZINC000653850847 IG Annotated Anodyne CN1CNC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 ZINC000653851550 IG Annotated Anodyne CN(C)c1nn(C)c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 ZINC000653853874 IG Annotated Anodyne COc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1 ZINC000653854476 IG Annotated Anodyne CC(C)C1=C2[C@H]3CCC4=C(O)C(=O)[C@@]5(O)CO[C@H]6O[C@@H]([C@@H]4[C@]65O)[C@]3(C)CC[C@@]2(C)CC1 ZINC000653854680 IG Annotated Mild CCO/C=C(\C#N)C(=O)N/N=C(\C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000653861896 IG Annotated Reactive CC(C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1 ZINC000653865379 IG Annotated Anodyne CC(C)[C@@H]1CN(c2ccc(F)c(S(C)(=O)=O)c2)CCN1c1nccc(C(F)(F)F)n1 ZINC000653865381 IG Annotated Anodyne CCCCCCO[P@](=O)(O)[C@H]1C[C@@H](NC(=N)N)[C@H]([C@@H](NC(C)=O)C(CC)CC)C1 ZINC000653866637 IG Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4C(=O)OC(C)(C)C)nc21 ZINC000653867737 IG Annotated Anodyne CCCCCCO[P@](=O)(O)C1=C[C@@H]([C@@H](NC(C)=O)C(CC)CC)[C@H](NC(=N)N)C1 ZINC000653870747 IG Annotated Anodyne Cc1nc2c(I)cc(I)c(O)c2nc1C ZINC000653875527 IG Annotated Anodyne CNCCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2ccccc21 ZINC000653880689 IG Annotated Anodyne CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/N=C/c5ccc6ccccc6c5O)c4)O[C@@H]3[C@H]2O1 ZINC000653884682 IG Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)NCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653887028 IG Annotated Anodyne CC(C)c1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 ZINC000653893469 IG Annotated Anodyne CC(C)[C@@H](CN1CCC(c2ccsc2)CC1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 ZINC000653899249 IG Annotated Anodyne Fc1cc(N2CCOCC2)ccc1-n1cc(-c2ccncc2OCC2CCNCC2)cn1 ZINC000653899280 IG Annotated Anodyne CC(C)(C)OC(=O)NCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000653901716 IG Annotated Mild CC(C)(C)OC(=O)NCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000653901719 IG Annotated Mild CC(C)(C)OC(=O)NCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000653901721 IG Annotated Mild CC(C)(C)OC(=O)NCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cccc(O)c1 ZINC000653901722 IG Annotated Mild COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4c(C)ccc4c(=O)[nH]3)CC2)cc1 ZINC000653905722 IG Annotated Anodyne O=C(O)c1csc([C@H]2CC[C@H]3[C@H](C[C@@H](O)[C@@H]3/C=C/[C@@H](O)COc3ccccc3)O2)n1 ZINC000653905750 IG Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4C(=O)c3ccccc3)nc21 ZINC000653912906 IG Annotated Anodyne CC(C)[C@@]12C[C@@H](NC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000653916425 IG Annotated Anodyne c1ccc(CNc2ncnc3c2nc2n3Cc3ccccc3N2CCN2CCOCC2)cc1 ZINC000066058773 IG Annotated Anodyne Cc1cc2c(NCCN(C)C)c3c(c(NCCN(C)C)c2o1)C(=O)c1ccccc1C3=O ZINC000066066005 IG Annotated Clean Cc1cc(=O)oc2cc(OCCCCn3cncn3)cc(OCCCCn3cncn3)c12 ZINC000066066258 IG Annotated Anodyne CN(C(=O)CN1CCCC1)c1ccc(Cc2ccc(N(C)C(=O)CN3CCCC3)cc2)cc1 ZINC000066098873 IG Annotated Anodyne CC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21 ZINC000066101102 IG Annotated Anodyne CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(-c3cc[nH]n3)ccc2O)nc2ccccc12 ZINC000066101858 IG Annotated Anodyne CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 ZINC000066103005 IG Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)C(=O)CCS4)c(N)cc2c1=O ZINC000066111508 IG Annotated Mild CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2c1=O ZINC000066111720 IG Annotated Anodyne CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2c1=O ZINC000066111721 IG Annotated Anodyne COc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112090 IG Annotated Anodyne COc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)(C)C ZINC000066112091 IG Annotated Anodyne COc1nc2c(cc1NCc1cccc(F)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112092 IG Annotated Anodyne COc1nc2c(cc1NCc1ccccc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112093 IG Annotated Anodyne COc1nc2c(cc1NCc1ccc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C ZINC000066112295 IG Annotated Anodyne CCOP(=O)(CC/C=C/Cn1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112697 IG Annotated Anodyne CCOP(=O)(CC/C=C/Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O)OCC ZINC000066112700 IG Annotated Anodyne CCNCC(=O)N[C@@H](C)c1cccc(-c2nc3c(nc(NCC)c4ncn(C)c43)s2)c1 ZINC000066251604 IG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)nn1)C2 ZINC000066251923 IG Annotated Bother O=C1[C@@H]2CS[C@]3(C(=O)Nc4ccc(Br)cc43)N2C(=O)N1Cc1ccccc1 ZINC000066252431 IG Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-n2ccnc2)cc1)c1nc(C#N)ncc1Br ZINC000066252435 IG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000066258594 IG Annotated Bother O=C(C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258683 IG Annotated Anodyne O=C(C[C@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 ZINC000066258684 IG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(OC(F)(F)F)cc3)nc1)C2 ZINC000066258845 IG Annotated Bother CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)N(C)C)[C@@H](OC(=O)N(C)C)C(C)(C)O3 ZINC000066259059 IG Annotated Anodyne CC(C)CN(NC(=O)c1cc(-c2ccccc2)[nH]n1)c1nc(C#N)ncc1Br ZINC000066259114 IG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(OC(F)(F)F)cc3)cn1)C2 ZINC000066259150 IG Annotated Bother O=C(O)CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(Cl)ccc21 ZINC000066259664 IG Annotated Anodyne O=[N+]([O-])c1nc2n(c1Br)C[C@H](OCc1ccc(OC(F)(F)F)cc1)CO2 ZINC000066259958 IG Annotated Bother COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000066263940 IG Annotated Reactive CCN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000068121111 IG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(Cc2nnn[nH]2)ccc1-c1ccc(Br)cc1 ZINC000068201303 IG Annotated Clean CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 ZINC000068204210 IG Annotated Anodyne Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1 ZINC000068246553 IG Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000068247144 IG Annotated Anodyne COc1ccc2[nH]c(C(=O)N3CCc4nc(-c5cccnc5)nc(OC(C)C)c4C3)cc2n1 ZINC000068248110 IG Annotated Anodyne CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(S(=O)(=O)c1cccnc1)CC2 ZINC000068248111 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl ZINC000068248395 IG Annotated Anodyne CCOc1cc([C@@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O ZINC000068267045 IG Annotated Bother CC(=O)O[C@@H]1C[C@H]2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CCC(C)C)[C@H]2[C@]12CO2 ZINC000070454126 IG Annotated Anodyne in-vitro biogenic COC1=CC2=C(c3c(cc(OC)c(OC)c3OC)C[C@H](C)[C@@](C)(O)C2)[C@H](OC)[C@@H]1OC ZINC000070455334 IG Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](O)[C@](C)(O)[C@H](C)C2 ZINC000070455336 IG Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@](C)(O)[C@@H](C)C2 ZINC000070455337 IG Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@H]2O ZINC000070455338 IG Annotated Anodyne in-vitro biogenic COc1cccc(Cn2cc(S(=O)(=O)CC(=O)Nc3cc(C)on3)c3ccccc32)c1 ZINC000070461158 IG Annotated Anodyne Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)cccc32)nc2cccc(C)c2c1=O ZINC000070463202 IG Annotated Mild C[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C ZINC000070718752 IG Annotated Anodyne C[C@@H]1[C@@H]2[C@H](c3ccc(C(=N)N)cc3)N(C)C(C)(C)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000070718781 IG Annotated Anodyne C[C@@H]1[C@H]2[C@H](c3ccc(C(=N)N)cc3)N(C)C(C)(C)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000070718784 IG Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 ZINC000070718787 IG Annotated Anodyne N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 ZINC000070718789 IG Annotated Anodyne CC(C)N1CNc2c(NCCNc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 ZINC000070719322 IG Annotated Anodyne O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1O)c1cn[nH]c1N2 ZINC000071280632 IG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1O)c1cn[nH]c1N2 ZINC000071280634 IG Annotated Anodyne O=S(=O)(c1ccc(F)cc1F)n1cc(Cl)c2cc(CN3CCNCC3)ccc21 ZINC000071280703 IG Annotated Anodyne CCc1ccc(S(=O)(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1 ZINC000071281381 IG Annotated Anodyne CCCNC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071281562 IG Annotated Bother CC(C)CCO[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071294521 IG Annotated Mild O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1c(O)n[nH]c1N2 ZINC000071294774 IG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1c(O)n[nH]c1N2 ZINC000071294775 IG Annotated Anodyne O=S(=O)(c1ccccc1Br)n1ccc2cc(CN3CCNCC3)ccc21 ZINC000071294819 IG Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CN3CCOCC3)cc(=O)n21 ZINC000071295779 IG Annotated Anodyne CCOC(=N)c1ccc(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])o4)s3)CC2)cc1 ZINC000071296142 IG Annotated Bother CC[C@H](O[C@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@H](OC)c1ccc(O)c(OC)c1 ZINC000071296927 IG Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4C[C@H](OC(C)=O)[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1[C@@](C)(CO)CCC[C@]14C ZINC000071316209 IG Annotated Mild COc1ccc(Br)cc1Cn1c(C(=O)NCCCO)cc2cc(C#N)ccc21 ZINC000071316670 IG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071316757 IG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071316758 IG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071316759 IG Annotated Mild CC1=C2OCCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071316760 IG Annotated Mild O=S(=O)(Nc1cncc(-c2ccc3ncc(N4CCOCC4)n3c2)c1)c1ccccc1 ZINC000071316929 IG Annotated Anodyne Cc1ccc2c(c1Br)/C(=N/N=C1\SCC(=O)N1c1ccc(O)cc1)C(=O)N2 ZINC000071317777 IG Annotated Mild Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)/C(C#N)=C/N(C)C ZINC000071318301 IG Annotated Reactive O=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000071318977 IG Annotated Anodyne C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@]23CC[C@H](C[C@H]12)[C@](C)(O)C3 ZINC000071319069 IG Annotated Mild C[C@@]1(CCC(=O)Nc2c(O)ccc(C(=O)O)c2O)C(=O)C=C[C@@]23CC[C@@H](C[C@@H]21)[C@](C)(O)C3 ZINC000071319070 IG Annotated Mild O=C1c2ncc3c(c(CN4CCC(F)(F)C4)cn3Cc3ccc(F)cc3)c2CCN1O ZINC000071319375 IG Annotated Clean CC[C@H](O[C@H](CO)Cc1ccc(O)c(OC)c1)[C@H](OC)c1cc(OC)c(O)c(OC)c1 ZINC000071329568 IG Annotated Anodyne CNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2[nH]1 ZINC000071329651 IG Annotated Anodyne Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(C#N)c3)c3ccccc23)no1 ZINC000071329764 IG Annotated Mild C=C1C(=O)[C@@]23[C@H]4C[C@H](O)[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1[C@@](C)(COC(C)=O)CCC[C@]14C ZINC000071329830 IG Annotated Mild COc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c2ccccc21 ZINC000071330133 IG Annotated Anodyne O=C1Nc2ccc(OC(F)(F)F)cc2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 ZINC000071330824 IG Annotated Mild Clc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(-n4ccnn4)cn3)CC2)nc1 ZINC000071332962 IG Annotated Anodyne CC1(C)c2cc(N3CCN(C4COC4)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 ZINC000071334121 IG Annotated Mild O=C1NCCCC[C@H]1N(C[C@H]1CCc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071340557 IG Annotated Anodyne O=C1NCCCC[C@H]1N(C[C@@H]1CCc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071340558 IG Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1cnc2ncccc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071341335 IG Annotated Anodyne CCc1c(C(=O)c2cc(C)cc(C)c2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071388871 IG Annotated Anodyne COc1ccc(OC(C)=O)c(/C=N\NC(=O)[C@@H](C)Oc2ccccc2Br)c1 ZINC000071405091 IG Annotated Reactive COc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928045 IG Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928048 IG Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)no2)cc1S(=O)(=O)N1CCCC1 ZINC000071928049 IG Annotated Anodyne CCn1nc(C)cc1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072101256 IG Annotated Mild CCn1nc(C)cc1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072101257 IG Annotated Mild O=S(=O)(C1CCCCC1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072101322 IG Annotated Anodyne O=S(=O)(C1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072101323 IG Annotated Anodyne CC(C)S(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101706 IG Annotated Anodyne CC(C)S(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072101707 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103299 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC(N[C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103300 IG Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103726 IG Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103728 IG Annotated Anodyne CCc1ccc(NC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000072105324 IG Annotated Anodyne C(CN1CCOCCOCCOCCOCCOCC1)CC12CC3CC(CC(C3)C1)C2 ZINC000072106186 IG Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccco1)C1CCCCC1 ZINC000072106206 IG Annotated Anodyne C=CCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(-c3cc(OCc4ccccc4)nn3C)nc21 ZINC000072112620 IG Annotated Mild C=CCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(-c3cc(OCc4ccccc4)nn3C)nc21 ZINC000072112621 IG Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000072113433 IG Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000072113434 IG Annotated Anodyne C[C@@H]1COCCN1S(=O)(=O)c1ccccc1-c1ccc(CNC2CCOCC2)cc1 ZINC000072114908 IG Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000072115063 IG Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000072115064 IG Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)Oc1ccc(CCCO[N+](=O)[O-])cc1 ZINC000072116772 IG Annotated Anodyne CCOc1ccc2c(=O)cc(CC)oc2c1CN1CCN(C(=O)C(=O)c2ccccc2)CC1 ZINC000072117005 IG Annotated Anodyne C[C@@H](CN1CCNCC1)C(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000072117099 IG Annotated Reactive C[C@H](CN1CCNCC1)C(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000072117100 IG Annotated Reactive CCCCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072118068 IG Annotated Clean CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118146 IG Annotated Anodyne CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000072118147 IG Annotated Anodyne Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)o1 ZINC000072118260 IG Annotated Anodyne Cc1ccc([C@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)o1 ZINC000072118261 IG Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072118529 IG Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072118530 IG Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072118531 IG Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072118532 IG Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN4CCC(C)CC4)OC3=O)c2c1 ZINC000072119759 IG Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CN4CCC(C)CC4)OC3=O)c2c1 ZINC000072119760 IG Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CNCC4CCCCC4)OC3=O)c2c1 ZINC000072119822 IG Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CNCC4CCCCC4)OC3=O)c2c1 ZINC000072119823 IG Annotated Anodyne CCN(CC)C(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072120142 IG Annotated Clean CC(=O)c1cc2cc(I)cc(I)c2oc1=O ZINC000072120406 IG Annotated Anodyne S=C(NCCc1ccccc1)N1Cc2ccc(Br)cc2-n2nncc2C1 ZINC000072121998 IG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2CO)cc1 ZINC000072122661 IG Annotated Clean Cc1nnc([C@@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000072122697 IG Annotated Anodyne Cc1nnc([C@H]2C[C@H]3Cc4[nH]ncc4[C@@H](C2)N3S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000072122698 IG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCOCC2)cc1 ZINC000072122929 IG Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000072123259 IG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)F)cc3)cn1)C2 ZINC000072123402 IG Annotated Mild CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCOCC4)n3)cc2)C1=O ZINC000072123568 IG Annotated Anodyne COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 ZINC000072124469 IG Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 ZINC000072124470 IG Annotated Reactive COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072124861 IG Annotated Anodyne O=C1N[C@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000072124999 IG Annotated Anodyne O=C1N[C@@](c2ccccc2)(C2CC2)C(=O)N1CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000072125000 IG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(OC(F)F)cc3)nc1)C2 ZINC000072125060 IG Annotated Mild COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](OC(C)=O)[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072125138 IG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCNC2=O)cc1 ZINC000072125144 IG Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)nc3)nc1)C2 ZINC000072125190 IG Annotated Mild Cc1cc(C)cc(C(=O)c2cc(Br)ccc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000072127004 IG Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3OC(C)=O ZINC000072128542 IG Annotated Mild C=CCN1C[C@H](COC(=O)CSc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000072135068 IG Annotated Mild C=CCN1C[C@@H](COC(=O)CSc2ccccc2)Oc2cccc(F)c2S1(=O)=O ZINC000072135069 IG Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000072136048 IG Annotated Anodyne S=C(NCCc1ccccc1)N1Cc2cc(Br)ccc2-n2nncc2C1 ZINC000072136159 IG Annotated Anodyne Cc1ccc(CN2C(=O)[C@@H](Cc3ccccc3)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000072137569 IG Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000072137570 IG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137805 IG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072137806 IG Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](OC(C)=O)CC[C@@](C)(C(=O)OC)[C@H]1C[C@@H]3OC(C)=O ZINC000072137832 IG Annotated Mild CC(C)(C)NS(=O)(=O)c1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1 ZINC000072139532 IG Annotated Anodyne COc1ccc(C(=O)O[C@H]2CC(C)=C[C@@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 ZINC000072140983 IG Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@@](C)(O)[C@H]2C[C@@H]3[C@@H](C)CO2)[C@](C)(OC(=O)CCC)CC[C@@H]1OO ZINC000072141084 IG Annotated Reactive COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@H]2C ZINC000072142896 IG Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccc(Br)c1)C(=O)N1CCC[C@H]1O3 ZINC000072171752 IG Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1cccc(Br)c1)C(=O)N1CCC[C@@H]1O3 ZINC000072171753 IG Annotated Anodyne O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CSC(=S)NC1CCCCC1 ZINC000072175684 IG Annotated Anodyne O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CSC(=S)NC1CCCCC1 ZINC000072175685 IG Annotated Anodyne CO/N=C(/C(=O)NC[P@@](=O)(O)Oc1ccc(C#N)c(F)c1)c1ccc(Cl)s1 ZINC000072175702 IG Annotated Mild C[C@]1([C@@H](O)c2ccc(F)cc2)NC(=S)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O ZINC000072177275 IG Annotated Bother O=C(Cc1ccc(O)c(Br)c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072178555 IG Annotated Reactive CCn1cc(-c2nnc(S)n2/N=C/c2ccc(N(C)C)cc2)c(=O)c2ccc(C)nc21 ZINC000072178781 IG Annotated Mild CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc12 ZINC000072179011 IG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1Br)C2 ZINC000072179121 IG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1N1CCCCC1)C2 ZINC000072179122 IG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1OCC1CC1)C2 ZINC000072179275 IG Annotated Bother O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CC(F)(F)F)c1F ZINC000072179318 IG Annotated Anodyne O=C(O)c1c(-c2c[nH]c(=O)[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F ZINC000072179392 IG Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 ZINC000072179919 IG Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc([N+](=O)[O-])cc2)c(=O)c2ccc(C)nc21 ZINC000072179920 IG Annotated Mild COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@@H]2C ZINC000072179933 IG Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cc1[N+](=O)[O-] ZINC000072180072 IG Annotated Bother O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccc(F)c([N+](=O)[O-])c1)[C@@H]23 ZINC000072180175 IG Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC)c3c2)c1F ZINC000072180266 IG Annotated Anodyne Cc1c(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cccc1[N+](=O)[O-] ZINC000072180273 IG Annotated Bother COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@@H]2C ZINC000072180275 IG Annotated Anodyne O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000072180309 IG Annotated Anodyne O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 ZINC000072180310 IG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3cccc(-c4nnc5ncccn45)c3)c(F)c2)C(=O)O1 ZINC000072180573 IG Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCOP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072180817 IG Annotated Anodyne CCn1cc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)c(=O)c2ccc(C)nc21 ZINC000072180935 IG Annotated Bother CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072181119 IG Annotated Anodyne NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000072183990 IG Annotated Bother NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000072183991 IG Annotated Bother Cc1cc(C(=O)NC2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 ZINC000072184905 IG Annotated Anodyne Cc1cc(C(=O)NC2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 ZINC000072184906 IG Annotated Anodyne CC(C)S(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185110 IG Annotated Anodyne CC(C)S(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 ZINC000072185111 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185249 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072185250 IG Annotated Anodyne CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@@H]2C1=O)C(C)C ZINC000072190158 IG Annotated Anodyne investigational CC(=O)S[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@@H]2C1=O)C(C)C ZINC000072190159 IG Annotated Anodyne investigational CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@H]2C1=O)C(C)C ZINC000072190160 IG Annotated Anodyne investigational CC(=O)S[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@H]2C1=O)C(C)C ZINC000072190161 IG Annotated Anodyne investigational C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3C2CC2)cc1 ZINC000072316114 IG Annotated Anodyne Cc1nc2ccncc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 ZINC000072316500 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000072316854 IG Annotated Anodyne CCn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O ZINC000072317284 IG Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2ccc(F)cc2)on1 ZINC000072322879 IG Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2ccc(C)cc2)on1 ZINC000072323606 IG Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cc(-c2cccs2)on1 ZINC000072323608 IG Annotated Mild N#Cc1cn(Cc2ccccc2)c2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12 ZINC000072323727 IG Annotated Mild CN(C)CCNC(=O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073139519 IG Annotated Anodyne CNCCNC(=O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073139521 IG Annotated Anodyne N#Cc1cc(Cl)cc(Oc2ccc(C#N)cc2OCCn2cc(Cl)c(=O)[nH]c2=O)c1 ZINC000073157921 IG Annotated Mild CC1(C)C[C@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073158780 IG Annotated Anodyne CC1(C)C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 ZINC000073158783 IG Annotated Anodyne CCCOCCn1c(=O)nc(NCCOC(C)C)c2cnc(-c3ccc(OC)nc3)cc21 ZINC000073160631 IG Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073163398 IG Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073163401 IG Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 ZINC000073164442 IG Annotated Anodyne CCN(C)C(=O)c1ccc([C@H](c2ccccn2)N2CCN(Cc3ccccn3)CC2)cc1 ZINC000073167460 IG Annotated Anodyne O=C(/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073169555 IG Annotated Mild O=C(/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073169559 IG Annotated Mild C=C1[C@@]2(C)C[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O ZINC000073169571 IG Annotated Mild in-vitro O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000073195613 IG Annotated Reactive CO[C@@H]1c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C ZINC000073195959 IG Annotated Mild CO[C@H]1c2ccc(C#Cc3cc(Cl)ccc3OCC(=O)O)cc2S(=O)(=O)C1(C)C ZINC000073195960 IG Annotated Mild CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@]5(C)C=C6C(=O)OC[C@@]64O[C@@]3(CC[C@@H]12)C5 ZINC000073196469 IG Annotated Anodyne O=C1[C@H](NS(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CC=CCN1O ZINC000073196599 IG Annotated Anodyne Cc1nc(C(=O)NNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 ZINC000073196937 IG Annotated Reactive O=C(Nc1ccc(-c2ccc(C(F)(F)F)nc2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073197363 IG Annotated Bother COc1ccc(Nc2ncccc2-c2nc3n(n2)S(=O)(=O)c2ccccc2N3C)cc1 ZINC000073197536 IG Annotated Anodyne CN1CCN(CCN(C)CCn2nc3c4c(cccc42)C(=O)c2c(Cl)cccc2-3)CC1 ZINC000073197900 IG Annotated Anodyne O=C(Nc1cccc(-c2ccc(C(F)(F)F)nc2)c1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073197937 IG Annotated Bother CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc(N)c(Br)c2)c1F ZINC000073198117 IG Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2ccc(F)cn2)ccc1-n1cnc(C)c1 ZINC000073198294 IG Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2ccc(F)cn2)ccc1-n1cnc(C)c1 ZINC000073198295 IG Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@@]3(CO)c2cncc(F)c2)ccc1-n1cnc(C)c1 ZINC000073198296 IG Annotated Anodyne COc1cc(/C=C2\CCCN3C2=NO[C@]3(CO)c2cncc(F)c2)ccc1-n1cnc(C)c1 ZINC000073198297 IG Annotated Anodyne N#CC(/C(O)=N/c1ccccc1)=c1/s/c(=C\c2ccccc2O)c(=O)n1-c1ccccc1 ZINC000073200435 IG Annotated Mild Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2[C@@H]2CCOC2)cc1 ZINC000073220046 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2[C@H]2CCOC2)cc1 ZINC000073220049 IG Annotated Anodyne C=C[C@@]1(C)CCC2=C(C(=O)[C@@]3(OC(C)=O)OC(=O)[C@@]24CCCC(C)(C)[C@H]34)[C@H]1OC(C)=O ZINC000073220668 IG Annotated Mild C=C[C@@]1(C)CCC2=C(C(=O)[C@@]3(OC(C)=O)OC(=O)[C@@]24CCCC(C)(C)[C@H]34)[C@@H]1OC(C)=O ZINC000073220670 IG Annotated Mild Cc1c(CC(=O)OCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 ZINC000073221298 IG Annotated Clean COc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)c(OC)c1 ZINC000073222921 IG Annotated Anodyne CC[C@@H](CO)N1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O ZINC000073224244 IG Annotated Anodyne CC[C@H](CO)N1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O ZINC000073224245 IG Annotated Anodyne CC[C@@H](CO)N1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O ZINC000073224246 IG Annotated Anodyne CC[C@H](CO)N1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O ZINC000073224247 IG Annotated Anodyne COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(C)c4nc3OC)CC2)c1 ZINC000073224731 IG Annotated Anodyne O=C1[C@H]2N=NN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)[C@H]2C(=O)N1c1ccccc1 ZINC000073224852 IG Annotated Anodyne CC1=C(C)C(=O)C(C2=C(C3=CC(=O)C(C)=C(C)C3=O)C(=O)c3ccccc3C2=O)=CC1=O ZINC000073256786 IG Annotated Mild CCc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOCCOC)n1 ZINC000073274799 IG Annotated Mild Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1C(N)=O ZINC000073276447 IG Annotated Clean CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1 ZINC000073296733 IG Annotated Anodyne O=C(c1nn2ccccc2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073297124 IG Annotated Anodyne O=C(c1cccn2cc(Br)nc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073311337 IG Annotated Anodyne O=C(c1cc(Br)cn2ccnc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073311344 IG Annotated Anodyne O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12 ZINC000073311973 IG Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 ZINC000073313176 IG Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 ZINC000073313178 IG Annotated Anodyne COC(=O)c1ccccc1CCCNC(=O)c1cccc(-c2cnc3[nH]c(=O)n(C)c3c2)c1 ZINC000073314825 IG Annotated Anodyne C[N+](C)(Cc1ccc(NC(=O)CCCC(=O)ON2C(=O)CCC2=O)cc1)c1ccccc1 ZINC000073316999 IG Annotated Mild O=C(/C=C\c1ccco1)NCC(=O)N1CCC(c2nccn2CCc2ccsc2)CC1 ZINC000073388681 IG Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 ZINC000008016822 IG Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019132 IG Annotated Reactive Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 ZINC000008034284 IG Annotated Anodyne CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 ZINC000008034322 IG Annotated Anodyne C=C(C)C[C@H](OCc1ccc(OC)cc1)[C@@H](OS(=O)(=O)c1ccc(C)cc1)C(N)=O ZINC000082047668 IG Annotated Anodyne COc1ccc(CCNC[C@@H]2C(=O)O[C@@H]3C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]32)cc1OC ZINC000082051212 IG Annotated Mild COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C4=C(C)C(=O)C=C[C@]4(C)CC[C@@H]23)cc1OC ZINC000082051213 IG Annotated Mild CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2C ZINC000082053091 IG Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2C ZINC000082053093 IG Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2cc(C)nn2C(N)=C1C#N ZINC000082053107 IG Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2cc(C)nn2C(N)=C1C#N ZINC000082053109 IG Annotated Reactive CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCO)n1 ZINC000082065791 IG Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066494 IG Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066495 IG Annotated Mild CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCN(C)C)C2)cs1 ZINC000082069684 IG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCN(C)C)C2)cs1 ZINC000082069685 IG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069711 IG Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000082069712 IG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)CO)cs1 ZINC000082070546 IG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)CO)cs1 ZINC000082070547 IG Annotated Anodyne CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCC2CCCCC2)cs1 ZINC000082071280 IG Annotated Anodyne CCc1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCC2CCCCC2)cs1 ZINC000082071281 IG Annotated Anodyne NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071499 IG Annotated Anodyne NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082071500 IG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)co1 ZINC000082071567 IG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)co1 ZINC000082071569 IG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC(=O)O)cs1 ZINC000082072006 IG Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3ccccc3)n2)c1OC ZINC000082073660 IG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CCO)cs1 ZINC000082073792 IG Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082074113 IG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCc2ccccn2)cs1 ZINC000082074125 IG Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)OCCN)cs1 ZINC000082074904 IG Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081271 IG Annotated Bother O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081272 IG Annotated Bother O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000082081376 IG Annotated Anodyne O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000082081377 IG Annotated Anodyne O=C(c1coc(-c2ccc3ccccc3c2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 ZINC000082081458 IG Annotated Anodyne O=C(c1coc(-c2ccc3ccccc3c2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 ZINC000082081459 IG Annotated Anodyne O=C(c1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1)N1CCOCC1 ZINC000082081872 IG Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082081873 IG Annotated Anodyne COc1cc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cn3n2)cc(OC)c1OC ZINC000082081889 IG Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 ZINC000082081932 IG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCc1ccco1 ZINC000082081934 IG Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)NCc3ccco3)C(C)C)cs2)c1 ZINC000082082070 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)NCc3ccco3)C(C)C)cs2)c1 ZINC000082082073 IG Annotated Anodyne COc1cccc(CNC(=O)[C@@H](NC(=O)c2coc(-c3cccs3)n2)C(C)C)c1OC ZINC000082082106 IG Annotated Anodyne COc1cccc(CNC(=O)[C@H](NC(=O)c2coc(-c3cccs3)n2)C(C)C)c1OC ZINC000082082108 IG Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082196 IG Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082197 IG Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082198 IG Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082199 IG Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082485 IG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082082487 IG Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C ZINC000082082489 IG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCCCN(C)C ZINC000082082491 IG Annotated Bother CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C ZINC000082082528 IG Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C ZINC000082082530 IG Annotated Anodyne CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082082820 IG Annotated Bother CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082082821 IG Annotated Bother CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082082953 IG Annotated Anodyne CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082082956 IG Annotated Anodyne CNc1nc2cnc(Nc3ccc(OC)nc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082082957 IG Annotated Anodyne CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083036 IG Annotated Bother CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083039 IG Annotated Bother C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCc1ccccn1 ZINC000082083698 IG Annotated Bother C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCc1ccccn1 ZINC000082083700 IG Annotated Bother CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083864 IG Annotated Anodyne CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082083867 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCc3ccccn3)cs2)c1 ZINC000082083870 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCCc3ccccn3)cs2)c1 ZINC000082083874 IG Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 ZINC000082083985 IG Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCc1ccccn1 ZINC000082083986 IG Annotated Bother NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084547 IG Annotated Bother NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084548 IG Annotated Bother NC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084614 IG Annotated Bother NC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084615 IG Annotated Bother O=C(CNC(=O)c1coc(-c2cccs2)n1)NCc1cccc(OC(F)(F)F)c1 ZINC000082084798 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)cs2)c1 ZINC000082085158 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)cs2)c1 ZINC000082085159 IG Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082085176 IG Annotated Anodyne COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082085177 IG Annotated Anodyne O=C(NCc1ccco1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085204 IG Annotated Bother O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085205 IG Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085436 IG Annotated Bother CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085437 IG Annotated Bother CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085498 IG Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085499 IG Annotated Mild CN(C)C(C)(C)COC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085547 IG Annotated Bother CN(C)C(C)(C)COC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085548 IG Annotated Bother CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085611 IG Annotated Bother CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085647 IG Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 ZINC000082085811 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCc3ccccn3)cs2)c1 ZINC000082085812 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CO)COCc3ccccc3)cs2)c1 ZINC000082085910 IG Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)COCc3ccccc3)cs2)c1 ZINC000082085911 IG Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089348 IG Annotated Bother CCNc1nc(NCC(C)(C)CNC(=O)c2ccncc2)nc2cc(OC)c(OC)cc12 ZINC000082119512 IG Annotated Anodyne CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](C)[C@@](C)([C@@H]3C[C@H]4C=CO[C@H]4O3)[C@H]1CCC[C@@]21CO1 ZINC000082123319 IG Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@H](C)O)c2cc1OC ZINC000082129049 IG Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129051 IG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 ZINC000082132873 IG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134623 IG Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134624 IG Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134628 IG Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134630 IG Annotated Bother O=C(NCC1CCCCC1)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134712 IG Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134756 IG Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134758 IG Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134760 IG Annotated Bother CC(C)CN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135033 IG Annotated Mild N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135277 IG Annotated Mild CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135466 IG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135479 IG Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135685 IG Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135688 IG Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135690 IG Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000082136386 IG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000082136387 IG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000082136388 IG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 ZINC000082136389 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139323 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082139868 IG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 ZINC000082139899 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)CC1 ZINC000082140367 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 ZINC000082140699 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)CC1 ZINC000082140702 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 ZINC000082140705 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082140771 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082140773 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082140776 IG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082140794 IG Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082140797 IG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 ZINC000082140799 IG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccco2)n1 ZINC000082142255 IG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 ZINC000082142326 IG Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 ZINC000082142328 IG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 ZINC000082142330 IG Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 ZINC000082142332 IG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000082142351 IG Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000082142353 IG Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000082142355 IG Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 ZINC000082142356 IG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccco1 ZINC000082142481 IG Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 ZINC000082142491 IG Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082142499 IG Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082142501 IG Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccco1 ZINC000082142811 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccco3)n2)CC1 ZINC000082143058 IG Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082143064 IG Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082143068 IG Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 ZINC000082143118 IG Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCCC2)cc(OC)c1OC ZINC000082143722 IG Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144527 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145315 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145318 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145321 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc(C)c3)n2)CC1 ZINC000082145324 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000082145351 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 ZINC000082145353 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)CC1 ZINC000082146323 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cccc(C)c2)CC1 ZINC000082146327 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)CC1 ZINC000082146329 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000082146386 IG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 ZINC000082146389 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc(C)c3)n2)CC1 ZINC000082146655 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc(C)c3)n2)CC1 ZINC000082146659 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc(C)c3)n2)CC1 ZINC000082146661 IG Annotated Anodyne COCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147877 IG Annotated Bother COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147951 IG Annotated Bother COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147953 IG Annotated Bother COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147958 IG Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148114 IG Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148116 IG Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148118 IG Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148122 IG Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148278 IG Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148282 IG Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCOCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000082148286 IG Annotated Bother N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148810 IG Annotated Mild CN(C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000082148825 IG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149030 IG Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149084 IG Annotated Bother C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149611 IG Annotated Bother C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149616 IG Annotated Bother C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149621 IG Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000082150922 IG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000082150927 IG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000082150932 IG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F ZINC000082150935 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)CC1 ZINC000082151060 IG Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccccc2F)CC1 ZINC000082151925 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)CC1 ZINC000082152217 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3F)n2)CC1 ZINC000082152220 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)CC1 ZINC000082152223 IG Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)c3nccs3)ccc2n1CC1CCN(C=O)CC1 ZINC000082154678 IG Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(C#N)cc2)C1 ZINC000082154799 IG Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(C#N)cc2)C1 ZINC000082154800 IG Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(C#N)cc2)C1 ZINC000082154808 IG Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(C#N)cc2)C1 ZINC000082154809 IG Annotated Mild Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O ZINC000082154834 IG Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)CC3CC3)ccc2n1CC1CCS(=O)(=O)CC1 ZINC000082155967 IG Annotated Anodyne O=C(O)/C=C1\CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc21 ZINC000082157040 IG Annotated Anodyne COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000082158005 IG Annotated Anodyne CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O ZINC000082158006 IG Annotated Anodyne CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000082158299 IG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCC2CC2)nc1-c1ccc(C#N)cc1 ZINC000082158564 IG Annotated Mild O=C(Nc1ccc(-c2ccnc(C(F)(F)F)c2)cc1)N[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000082158912 IG Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159499 IG Annotated Mild CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082159875 IG Annotated Mild C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C1 ZINC000082159974 IG Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C1 ZINC000082159975 IG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C1 ZINC000082159976 IG Annotated Anodyne CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163663 IG Annotated Bother CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163664 IG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163665 IG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163666 IG Annotated Bother Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 ZINC000082164216 IG Annotated Anodyne COc1cc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167025 IG Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167178 IG Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082167180 IG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082173413 IG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082173416 IG Annotated Anodyne CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174512 IG Annotated Bother CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000082174514 IG Annotated Bother CCc1cnc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174568 IG Annotated Bother CCc1cnc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174571 IG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174575 IG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)sc1C ZINC000082174576 IG Annotated Bother COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)ccc1O ZINC000082177829 IG Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179479 IG Annotated Anodyne COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCCN2CCCC2=O)ccc1O ZINC000082180125 IG Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCNC(C)=O)ccc1O ZINC000082180132 IG Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCCN2CCCC2=O)cc1 ZINC000082180184 IG Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180636 IG Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187078 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082192286 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082192288 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082192290 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCO)cc1 ZINC000082192294 IG Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082192461 IG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000082192463 IG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082192466 IG Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000082192473 IG Annotated Mild COc1cc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194198 IG Annotated Anodyne COc1cc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194200 IG Annotated Anodyne COc1cc(-c2csc(N3CCC[C@@H]3C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194764 IG Annotated Anodyne COc1cc(-c2csc(N3CCC[C@@H]3C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC ZINC000082194767 IG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000082195443 IG Annotated Bother COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000082195476 IG Annotated Anodyne COc1cc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc(OC)c1OC ZINC000082195569 IG Annotated Anodyne COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082195975 IG Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)cc1OC ZINC000082195985 IG Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)cc1 ZINC000082196032 IG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)COCc1ccccc1)CC3 ZINC000082196040 IG Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)c1 ZINC000082196046 IG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)COCc1ccccc1)CC3 ZINC000082196051 IG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1)C3 ZINC000082196067 IG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)COc1ccc(Cl)cc1)CC3 ZINC000082196130 IG Annotated Anodyne COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)c1 ZINC000082196158 IG Annotated Anodyne COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)c1 ZINC000082196171 IG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(F)cc1F)CC3 ZINC000082196217 IG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1c(F)cccc1F)CC3 ZINC000082196219 IG Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)CC(C)(C)C)C3 ZINC000082196259 IG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cc(F)cc(F)c1)CC3 ZINC000082196287 IG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1F)CC3 ZINC000082196297 IG Annotated Anodyne CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196326 IG Annotated Anodyne CCC[C@@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196329 IG Annotated Anodyne CCC[C@H](C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196330 IG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196766 IG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196768 IG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196769 IG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196770 IG Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196777 IG Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196779 IG Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196782 IG Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082196783 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000082197080 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000082197081 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082197952 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000082197953 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198196 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198197 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198198 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198199 IG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC ZINC000082198870 IG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC ZINC000082198871 IG Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC ZINC000082198872 IG Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC ZINC000082198873 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198988 IG Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198989 IG Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198990 IG Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198991 IG Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082199150 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082199151 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000082199152 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082199159 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082199160 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082199161 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000082199162 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 ZINC000082199390 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 ZINC000082199391 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 ZINC000082199392 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 ZINC000082199393 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 ZINC000082199394 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 ZINC000082199395 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 ZINC000082199396 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 ZINC000082199397 IG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 ZINC000082199414 IG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 ZINC000082199415 IG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 ZINC000082199416 IG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 ZINC000082199417 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082199916 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082199917 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000082199918 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082199933 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082199938 IG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000082199942 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204537 IG Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204598 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 ZINC000082204958 IG Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205011 IG Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205065 IG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205077 IG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205097 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205133 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082205223 IG Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205230 IG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205239 IG Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205243 IG Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205255 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205427 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 ZINC000082205447 IG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205494 IG Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205670 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205786 IG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205791 IG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205873 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1 ZINC000082205944 IG Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206004 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccccc1 ZINC000082206053 IG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206161 IG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206236 IG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206239 IG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206326 IG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206328 IG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206411 IG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206413 IG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206870 IG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082206872 IG Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206873 IG Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](C(C)C)N2 ZINC000082206876 IG Annotated Mild CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](CC)N3)cc1 ZINC000082208008 IG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](CC)N3)cc1 ZINC000082208011 IG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208079 IG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208084 IG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208111 IG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082208114 IG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082208382 IG Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208421 IG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208424 IG Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082208464 IG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082208465 IG Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082208467 IG Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082208471 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208489 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208491 IG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208497 IG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208499 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208592 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208594 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208695 IG Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208699 IG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208709 IG Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208711 IG Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208918 IG Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208921 IG Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209029 IG Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209031 IG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209062 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209141 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209144 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209314 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209317 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209322 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209325 IG Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082209790 IG Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082209796 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082209953 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082209956 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2)c1ccco1 ZINC000082210104 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 ZINC000082210157 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082210180 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210183 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210208 IG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210209 IG Annotated Mild O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 ZINC000082210210 IG Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCC#N ZINC000082210212 IG Annotated Mild CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082210215 IG Annotated Mild CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCC#N ZINC000082210217 IG Annotated Mild CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210304 IG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210307 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082210402 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)cc1 ZINC000082210407 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)cc1 ZINC000082210410 IG Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCO)cc1 ZINC000082210414 IG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210636 IG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210638 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 ZINC000082210665 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 ZINC000082210897 IG Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210900 IG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 ZINC000082211048 IG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211051 IG Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211528 IG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@H](C)CN3)cc1 ZINC000082211639 IG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](C)CN3)cc1 ZINC000082211644 IG Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212584 IG Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 ZINC000082212587 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2)C1CC1 ZINC000082212632 IG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082213059 IG Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 ZINC000082213062 IG Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 ZINC000082213063 IG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082213450 IG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082213451 IG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082213452 IG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 ZINC000082213453 IG Annotated Anodyne CN(C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000082214845 IG Annotated Bother CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082214903 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082214904 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082214905 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1 ZINC000082214906 IG Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000082216585 IG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 ZINC000082216779 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1 ZINC000082216997 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 ZINC000082216998 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1 ZINC000082217000 IG Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 ZINC000082217002 IG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082218955 IG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082218957 IG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082218960 IG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082218961 IG Annotated Anodyne CCc1cnc(-c2cnc(N3CCN(C(C)=O)CC3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082219628 IG Annotated Bother CC(=O)N1CCN(c2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000082219631 IG Annotated Bother CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N1CCCC1)C3 ZINC000082222887 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 ZINC000082224491 IG Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 ZINC000082224523 IG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 ZINC000082227945 IG Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082228001 IG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000082230948 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000082230949 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000082230950 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000082230951 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(O)c1 ZINC000082231147 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(O)c1 ZINC000082231148 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000082231179 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(F)cc1 ZINC000082231180 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000082231181 IG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(F)cc1 ZINC000082231182 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 ZINC000082231209 IG Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 ZINC000082231210 IG Annotated Mild Cc1ccc(Oc2c(-c3ccccc3CN3CCC[C@@H]3CN(C)C)cnn(C)c2=O)cn1 ZINC000084382959 IG Annotated Anodyne Cc1ccc(Oc2c(-c3ccccc3CN3CCC[C@H]3CN(C)C)cnn(C)c2=O)cn1 ZINC000084382960 IG Annotated Anodyne CCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000084459721 IG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000084459744 IG Annotated Anodyne O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCN1C[C@H](Br)C1=O ZINC000084462233 IG Annotated Reactive O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCN1C[C@@H](Br)C1=O ZINC000084462234 IG Annotated Reactive O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCN1C[C@H](Br)C1=O ZINC000084462235 IG Annotated Reactive O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCN1C[C@@H](Br)C1=O ZINC000084462236 IG Annotated Reactive O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC[C@H](O)C1 ZINC000084586676 IG Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC[C@@H](O)C1 ZINC000084586678 IG Annotated Anodyne COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)N4CCCOCC4)s3)ncn1CC2 ZINC000084596429 IG Annotated Anodyne COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)NC4CCOCC4)s3)ncn1CC2 ZINC000084596431 IG Annotated Anodyne CSc1ccccc1Nc1nc(N2CC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 ZINC000084596502 IG Annotated Anodyne O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(C[C@@H]3CCCO3)c1=O)CCCCCC2 ZINC000084596804 IG Annotated Anodyne O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(C[C@H]3CCCO3)c1=O)CCCCCC2 ZINC000084596805 IG Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c(Br)cccc32)ccn1 ZINC000084604391 IG Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(Br)ccc32)ccn1 ZINC000084604395 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)CC2=O ZINC000084615031 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)CC2=O ZINC000084615034 IG Annotated Anodyne NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 ZINC000084615442 IG Annotated Anodyne COc1cc2c(cc1OC)-c1c(-c3cnc(CN4CCCOCC4)s3)ncn1CC2 ZINC000084618424 IG Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084634858 IG Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084634860 IG Annotated Anodyne COc1cc(-c2cn([C@@H]3C[C@@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084634861 IG Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084634863 IG Annotated Anodyne COc1cc(-c2cn(CC(=O)NC3C4CC5CC(C4)CC3C5)nn2)ccc1-n1cnc(C)c1 ZINC000084634930 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)C[C@@H]2O ZINC000084635137 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)C[C@@H]2O ZINC000084635139 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)C[C@H]2O ZINC000084635141 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)C[C@H]2O ZINC000084635144 IG Annotated Anodyne Cc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O ZINC000084652173 IG Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)C3=CC[C@@]4(C)[C@H](C5=CC(=O)O[C@@H]5O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 ZINC000084652374 IG Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)C3=CC[C@@]4(C)[C@H](C5=CC(=O)O[C@H]5O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 ZINC000084652375 IG Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)C3=CC[C@@]4(C)[C@H](C5=C[C@H](O)OC5=O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 ZINC000084652376 IG Annotated Anodyne CC1(C)C(=O)C=C[C@]2(C)C3=CC[C@@]4(C)[C@H](C5=C[C@@H](O)OC5=O)C[C@H]5O[C@]54[C@]3(C)C(=O)C[C@@H]12 ZINC000084652377 IG Annotated Anodyne CN1CCC(Nc2nc(N/N=C/c3nccn3Cc3ccccc3)nc3ccccc23)CC1 ZINC000084653128 IG Annotated Mild O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCCC3)cc2)ccn1)P(=O)(O)O ZINC000084653656 IG Annotated Anodyne CCO[C@@]1(CC)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654435 IG Annotated Mild CCO[C@@]1(CC)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084654437 IG Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1F ZINC000084669112 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc3c(N)ncnc23)c1F ZINC000084669480 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1Cl ZINC000084669481 IG Annotated Anodyne O=C(NCc1cn(Cc2ccccc2)nn1)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000084669797 IG Annotated Anodyne CONC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000084670310 IG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OS(C)(=O)=O)c(OC)cc3ccnc(c13)CC2 ZINC000084670541 IG Annotated Anodyne CSc1ccccc1Nc1nc(N2C[C@@H]3C[C@H]2CN3)nc2c(NCC3CC3)ncnc12 ZINC000084670670 IG Annotated Anodyne C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 ZINC000084670906 IG Annotated Reactive C/C(=N\NC(=O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1)c1ccccc1 ZINC000084670907 IG Annotated Reactive O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1 ZINC000084671818 IG Annotated Anodyne Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccc(O)cc2)cc1 ZINC000084671885 IG Annotated Anodyne COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000084671969 IG Annotated Anodyne CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1 ZINC000084672473 IG Annotated Anodyne N#CC12CC(CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c3ccc(Cl)cc3)(C1)C2 ZINC000084672489 IG Annotated Mild CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C#N)c3)cnc2[nH]1 ZINC000084687919 IG Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)Cn2ccnn2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084688010 IG Annotated Mild COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccccc2F)C1=O ZINC000084690520 IG Annotated Anodyne O=C(NCc1cn(Cc2ccc(F)cc2)nn1)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000084703949 IG Annotated Anodyne CCc1nnc(SCC(=O)c2ccc(Cl)cc2)n1N1C(=O)c2ccccc2C1=O ZINC000084704298 IG Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccc(F)cc2)C1=O ZINC000084705486 IG Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2cccc(F)c2)C1=O ZINC000084706661 IG Annotated Anodyne COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@@H](O)c2ccccc2F)C1=O ZINC000084706716 IG Annotated Anodyne N#CCCCCN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000084709578 IG Annotated Mild CN(C)CCNc1nc(N/N=C/c2nccn2Cc2ccc(F)cc2)nc2ccccc12 ZINC000084709887 IG Annotated Mild O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c(=O)c1O ZINC000084710082 IG Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(-c3cc[n+](Cc4ccccc4)cc3)noc1C2=O ZINC000084711678 IG Annotated Clean COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000084713907 IG Annotated Anodyne COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000084722551 IG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4=O)[C@]31CC[C@](CC)(OC)OC1 ZINC000084726413 IG Annotated Mild CCOC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4=O)[C@@]31CC[C@](CC)(OC)OC1 ZINC000084726418 IG Annotated Mild CCO[C@@]1(CC)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000084726430 IG Annotated Mild Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I ZINC000084727935 IG Annotated Anodyne COC(=O)c1ncn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728846 IG Annotated Anodyne COC(=O)c1ncn(C/C=C2/OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 ZINC000084728850 IG Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(C4CC4)nn3c2)c1F ZINC000084730589 IG Annotated Anodyne NCCCNCCCNCCCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O ZINC000084731979 IG Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(C2CCCCC2)CC1 ZINC000084732773 IG Annotated Anodyne COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(C)s4)CC[C@H]3O)CC2)cc1 ZINC000084739650 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCc2ccccc2)nn1 ZINC000084739698 IG Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2F)CC1 ZINC000084741819 IG Annotated Anodyne Cc1[nH]nc(NN=C2C(=O)CCCC2=O)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084742653 IG Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3c1[C@H](CC2)N(C)CC3=O ZINC000084759169 IG Annotated Anodyne CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2nc1O)OCO3 ZINC000008582762 IG Annotated Anodyne CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1 ZINC000008586249 IG Annotated Anodyne Cc1ccccc1CNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000008588919 IG Annotated Anodyne CCOc1ccc(NC(=O)CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)cc1 ZINC000008592102 IG Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593718 IG Annotated Anodyne COc1ccc(OC)c(NC(=O)[C@@H](C)n2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)c1 ZINC000008593720 IG Annotated Anodyne Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)cc1 ZINC000008593956 IG Annotated Anodyne CCc1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 ZINC000008595626 IG Annotated Anodyne CCc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 ZINC000008595627 IG Annotated Anodyne COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccs4)n3)c2C)cc1OC ZINC000008603086 IG Annotated Anodyne CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NCCN(C)C)cnc23)cc1OCC ZINC000008604290 IG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccc(OC(C)C)cc1 ZINC000008604843 IG Annotated Anodyne COc1ccc(OC)c(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c1 ZINC000008604935 IG Annotated Anodyne COc1cc(OC)c(NC(=O)Cn2ncn3c(cc4cc(C)ccc43)c2=O)cc1Cl ZINC000008605156 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(F)cc1)n2C ZINC000008608017 IG Annotated Anodyne Cc1nn([C@@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12 ZINC000008611163 IG Annotated Anodyne Cc1nn([C@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12 ZINC000008611165 IG Annotated Anodyne Cc1ccccc1Cn1nnc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc21 ZINC000008611585 IG Annotated Anodyne Cc1ccccc1Cn1nnc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc21 ZINC000008611587 IG Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccnc12 ZINC000008659805 IG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000008661320 IG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000008661321 IG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000008661322 IG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000008661323 IG Annotated Anodyne C[C@H](/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12)c1ccccc1 ZINC000008661352 IG Annotated Mild C[C@@H](/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12)c1ccccc1 ZINC000008661353 IG Annotated Mild O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1ccccn1 ZINC000008661836 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)cc1 ZINC000008670512 IG Annotated Bother aggregator COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@@H]2CCCO2)cc1 ZINC000008671081 IG Annotated Anodyne COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 ZINC000008671082 IG Annotated Anodyne O=c1c(/C=N\Nc2ccccc2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12 ZINC000008671290 IG Annotated Mild Cc1cc(C)c2nc(N3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)sc2c1 ZINC000008671866 IG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672788 IG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672789 IG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008672790 IG Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 ZINC000008672791 IG Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 ZINC000008672792 IG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 ZINC000008673007 IG Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 ZINC000008673008 IG Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 ZINC000008673009 IG Annotated Anodyne CC1=CC=CC2=NC(=O)C[C@@](C)(C(=O)N(CC(=O)NC3CCCC3)c3ccccc3C)N12 ZINC000008677223 IG Annotated Anodyne CC1=CC=CC2=NC(=O)C[C@](C)(C(=O)N(CC(=O)NC3CCCC3)c3ccccc3C)N12 ZINC000008677225 IG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(OC(=O)c3ccccc3)C=CC(=O)C[C@@H]2N1C(=O)OCc1ccccc1 ZINC000008680142 IG Annotated Mild Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)C(C)C)CC2)cc1 ZINC000008680217 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccccc3)C(C)C)CC2)cc1 ZINC000008680218 IG Annotated Anodyne Cc1cc(C)c2nc(N3CCC[C@@H](C(=O)N4CCN(c5ncccn5)CC4)C3)sc2c1 ZINC000008680397 IG Annotated Anodyne CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O ZINC000008680481 IG Annotated Anodyne Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1cccc2nsnc12 ZINC000008680561 IG Annotated Anodyne aggregator Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 ZINC000008683277 IG Annotated Anodyne CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CC/N=C/C2=C(O)CC(C)(C)CC2=O)CC1 ZINC000008684688 IG Annotated Mild CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)C[C@H](O)Cn2ccc3ccccc32)cc1 ZINC000008685262 IG Annotated Anodyne COC(=O)C1=C(O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)N=C1C ZINC000008686869 IG Annotated Anodyne COCCNC(=O)c1c(CSc2ccc(F)cc2)noc1C(=O)NCc1ccccc1 ZINC000008691393 IG Annotated Anodyne Cc1sc2nc(COC(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)[nH]c(=O)c2c1C ZINC000008694129 IG Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008829577 IG Annotated Reactive C[C@]1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860602 IG Annotated Mild C[C@@]1(OC(=O)c2cnc3ccccc3n2)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860603 IG Annotated Mild CCC(=O)O[C@]1(C)C(=O)C2=COC(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000008860636 IG Annotated Mild CCC(=O)O[C@@]1(C)C(=O)C2=COC(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000008860637 IG Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860714 IG Annotated Mild CC(C)(C)OC(=O)NCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860715 IG Annotated Mild O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000008913681 IG Annotated Anodyne CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O ZINC000008965073 IG Annotated Anodyne CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O ZINC000008965076 IG Annotated Anodyne CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O ZINC000008965077 IG Annotated Anodyne CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O ZINC000008965079 IG Annotated Anodyne Cc1c2cnn(CC(=O)NCCCN3CCCC[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965389 IG Annotated Anodyne Cc1c2cnn(CC(=O)NCCCN3CCCC[C@H]3C)c(=O)c2c(C)n1Cc1ccccc1 ZINC000008965390 IG Annotated Anodyne CCN[C@@H]1CC[C@@H](CCCC2CCC([C@@H]3CC[C@@H](O)[C@H](C)N3)CC2)C[C@@]1(O)CC(=O)O ZINC000085488144 IG Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCC[C@@H]1CC[C@H]2C[C@@H]1CC[C@]21CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488181 IG Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CO)CNC)[C@H](O)C1 ZINC000085492819 IG Annotated Anodyne in-vitro biogenic CCO[C@H]1C2=C(C(=O)C(O)=C([C@@H](C)COC(C)=O)C2=O)[C@]2(C)CCCC(C)(C)[C@H]2[C@@H]1O ZINC000085508607 IG Annotated Mild in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532548 IG Annotated Anodyne in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1cccc(CCCO)c1)[C@]2(O)OC ZINC000085546332 IG Annotated Mild in-vitro biogenic CNC[C@H]1CC[C@@H]2C[C@@]34[C@@H](O)[C@@H]5C=C[C@H]6C[C@]5(C)C[C@](O)(C6)[C@@H]3C[C@@]43CCC[C@H]3[C@H]2N1 ZINC000085547424 IG Annotated Anodyne in-vitro biogenic 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Anodyne CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21 ZINC000009598576 IG Annotated Anodyne CSCC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O ZINC000009609022 IG Annotated Anodyne CSCC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N1Cc2ccccc2C1=O ZINC000009609025 IG Annotated Anodyne CCN(CC)c1ccc(/C=N/c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c(O)c1 ZINC000009615915 IG Annotated Mild CC1CCN(C(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cc(Cl)ccc32)CC1 ZINC000009616304 IG Annotated Anodyne CCOC(=O)c1ccccc1NC(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21 ZINC000009616894 IG Annotated Anodyne Cc1oc2cc(OC/C(O)=N/[C@@H]3CCS(=O)(=O)C3)ccc2c(=O)c1Oc1ccccc1 ZINC000009665495 IG Annotated Mild Cc1oc2cc(OC/C(O)=N/[C@H]3CCS(=O)(=O)C3)ccc2c(=O)c1Oc1ccccc1 ZINC000009665502 IG Annotated Mild O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 ZINC000009673057 IG Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000009673058 IG Annotated Anodyne O=C(c1cccc2c1C(=O)N(Cc1cccnc1)C2)N1CCN(c2ccc(F)cc2)CC1 ZINC000009681625 IG Annotated Anodyne Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000009724813 IG Annotated Anodyne CCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000009725155 IG Annotated Anodyne CCOC(=O)C1CCN(C(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)CC1 ZINC000009775326 IG Annotated Anodyne CCOC(=O)c1sc2nc(C)n(CC(=O)N3CCCc4ccccc43)c(=O)c2c1C ZINC000009776792 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H]1CCCCN1C2=O ZINC000009777045 IG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H]1CCCCN1C2=O ZINC000009777046 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@H]1CCCCN1C2=O ZINC000009777048 IG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc3c(c1)OCCO3)[C@@H]1CCCCN1C2=O ZINC000009777049 IG Annotated Anodyne Cc1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000009837915 IG Annotated Anodyne O=C(c1ccc(CSc2nc3ccncc3[nH]2)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000009847982 IG Annotated Anodyne O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 ZINC000009857875 IG Annotated Anodyne CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 ZINC000009961140 IG Annotated Anodyne Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)sc2n1 ZINC000009963609 IG Annotated Anodyne Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 ZINC000095479479 IG Annotated Anodyne CC(=O)OC[C@H]1[C@H]2[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]2CC[C@]12CO2 ZINC000095486040 IG Annotated Anodyne in-vitro biogenic C[C@@]12C[C@@H]3C[C@]4(C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]4[C@@H]3O1)C2 ZINC000095543784 IG Annotated Mild NC(=O)c1ccn(-c2cccc(OC(=O)NCCOCCOc3ccc(F)cc3F)c2)c1 ZINC000095552075 IG Annotated Anodyne O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000095552330 IG Annotated Anodyne O=C(NCc1ccc(OC(F)F)nc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095552874 IG Annotated Anodyne O=C(NCc1ccc(OC(F)F)nc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 ZINC000095552875 IG Annotated Anodyne CC[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 ZINC000095552900 IG Annotated Anodyne CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnco4)cn23)nc(C)n1 ZINC000095553321 IG Annotated Anodyne O=C(O)C(=O)Nc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 ZINC000095554745 IG Annotated Anodyne O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccn1 ZINC000095556078 IG Annotated Anodyne O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000095556171 IG Annotated Anodyne N#Cc1cccc(C(=O)N2CCC(c3ccc(C(=O)N=C(N)N)cc3C(F)(F)F)CC2)c1 ZINC000095556336 IG Annotated Mild CC(=O)Nc1cccc(-c2ccc3nc(Nc4cc[nH]n4)c(-c4nc(C)nc(N)n4)n3c2)c1 ZINC000095556564 IG Annotated Anodyne Cc1noc2cc(N3CCN(C(=O)[C@@H]4CCCC[C@H]4C(=O)NC4(C#N)CC4)[C@H](C)C3)ccc12 ZINC000095556591 IG Annotated Mild CC(C)c1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1 ZINC000095556783 IG Annotated Anodyne Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NC[C@H](CO)C3)ccc1=O ZINC000095557248 IG Annotated Anodyne O=C(Nc1nnc(-c2cncs2)s1)[C@H](Cc1ccccc1)NCc1cscn1 ZINC000095557469 IG Annotated Anodyne CCOC(=O)C[C@H]1C(C(=O)OC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095558826 IG Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095558827 IG Annotated Anodyne Cc1ccc(-c2c(C)nn3c(N4CCC(C(=O)N5CCOCC5)CC4)cc(C)nc23)cc1 ZINC000095559078 IG Annotated Anodyne C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(NCC)cc3)cc21 ZINC000095559699 IG Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(NCC)cc3)cc21 ZINC000095559700 IG Annotated Mild CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2 ZINC000095560144 IG Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095560724 IG Annotated Clean C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NCC)c3)cc21 ZINC000095560842 IG Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NCC)c3)cc21 ZINC000095560843 IG Annotated Mild O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1OC(F)F ZINC000095561863 IG Annotated Anodyne CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5cccnn45)c3c2)CC1 ZINC000095562785 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095563749 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F ZINC000095563751 IG Annotated Anodyne Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1 ZINC000095563803 IG Annotated Anodyne COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2 ZINC000095563986 IG Annotated Anodyne Cc1ccc(-c2c(/C=C(\C#N)C(=O)NC(C)(C)C)n(CCCO)c3ncnc(N)c23)cc1 ZINC000095564455 IG Annotated Reactive CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 ZINC000095566140 IG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 ZINC000095566141 IG Annotated Anodyne COc1cnc2c(c1)c(C)cn2S(=O)(=O)c1ccc(OC)c(NC2CCN(C)CC2)c1 ZINC000095566174 IG Annotated Anodyne COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCNCC1 ZINC000095566175 IG Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(c2ncccc2C#N)CC1 ZINC000095566288 IG Annotated Mild CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(c2ncccc2C#N)CC1 ZINC000095566289 IG Annotated Mild CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 ZINC000095566449 IG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 ZINC000095566450 IG Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000095566524 IG Annotated Anodyne COc1ccc(NC(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 ZINC000095566982 IG Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095567183 IG Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095567184 IG Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095567990 IG Annotated Mild Cc1nc2cc(-c3ccc4c(c3)OCO4)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C ZINC000095568177 IG Annotated Anodyne C=CCN1[C@@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000095568198 IG Annotated Mild O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1ccc2c(c1)OCO2 ZINC000095568260 IG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1ccc2c(c1)OCO2 ZINC000095568261 IG Annotated Anodyne COc1ccc(Cn2cc(CN3CCc4onc(-c5ccccc5OC)c4C3=O)nn2)cc1 ZINC000095568615 IG Annotated Anodyne Cc1ccccc1CN1C(=O)c2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095568863 IG Annotated Anodyne Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095568864 IG Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095569073 IG Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095569074 IG Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 ZINC000095569225 IG Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@@H]1c1ccc(Cl)cc1 ZINC000095569423 IG Annotated Anodyne CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@H]1c1ccc(Cl)cc1 ZINC000095569424 IG Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3S(C)(=O)=O)CC2)c1 ZINC000095570144 IG Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570156 IG Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095570157 IG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095570687 IG Annotated Anodyne COc1ccc(NC(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3Cc2ccccn2)cc1 ZINC000095570814 IG Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095571380 IG Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000095571401 IG Annotated Anodyne CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12 ZINC000095571530 IG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095571842 IG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095571843 IG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 ZINC000095572723 IG Annotated Anodyne O=c1nc(N2CCN(c3nccs3)CC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 ZINC000095572794 IG Annotated Bother N[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCBr)CCBr ZINC000095573136 IG Annotated Reactive N[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(CCBr)CCBr ZINC000095573137 IG Annotated Reactive Cc1cc(C)nc(SCc2cc(=O)c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 ZINC000095573196 IG Annotated Bother O=CNCCCCCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 ZINC000095573269 IG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 ZINC000095573421 IG Annotated Anodyne CCNc1nc(Nc2cc(F)c(C(=O)NCC(C)(C)O)cc2OC)ncc1C(F)(F)F ZINC000095575173 IG Annotated Anodyne COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12 ZINC000095575758 IG Annotated Anodyne O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCC(CCO)CC3)c2C1 ZINC000095576190 IG Annotated Anodyne CN1C(=N)N[C@@]2(c3cc(-c4cccc(C#N)c4)cs3)CN(c3ccccn3)C[C@H]2C1=O ZINC000095576335 IG Annotated Mild NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095578271 IG Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@@H]1OC[C@H](OCC3CC3)C[C@@H]12 ZINC000095578272 IG Annotated Anodyne O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 ZINC000095579057 IG Annotated Anodyne O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 ZINC000095579058 IG Annotated Anodyne Cc1cccc(Oc2cc(CN3CCC[C@H](n4cc(C)c(=O)[nH]c4=O)C3)ccc2C(=O)O)c1 ZINC000095579191 IG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 ZINC000095580629 IG Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1nccnc1-c1ccccc1 ZINC000095580718 IG Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(C#N)c3C)CC2)ccc1Cl ZINC000095581310 IG Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1nnccc1-c1ccccc1 ZINC000095581454 IG Annotated Mild CCON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3OCC)cc2)cc1 ZINC000095583239 IG Annotated Mild COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl ZINC000095583384 IG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl ZINC000095583737 IG Annotated Anodyne Cn1nccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095584336 IG Annotated Mild Cn1nccc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cn1 ZINC000095584988 IG Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1C1CNC1 ZINC000095585139 IG Annotated Mild CNC(=O)Cc1ccc(-c2cc(C)cc(-c3ccc(CC(=O)NC)cc3)c2OCCO)cc1 ZINC000095585331 IG Annotated Anodyne O=C1NC(=S)NC(=O)C1=Cc1cn(C(=O)c2cccc3ccccc23)c2ccccc12 ZINC000095585485 IG Annotated Clean CN(C)CCn1nc2c3c(c(NCC/C=C/CCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095586550 IG Annotated Clean C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)C3=CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 ZINC000095586877 IG Annotated Mild CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC(C)(N)C3)c2c1Cl ZINC000095587067 IG Annotated Anodyne CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1 ZINC000095587231 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CN[C@@H]4C3)c2c1Cl ZINC000095587981 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4NC[C@@H]4C3)c2c1Cl ZINC000095587982 IG Annotated Anodyne CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C ZINC000095588599 IG Annotated Anodyne CN(C)CCn1nc2c3c(c(NCC/C=C\CCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095588901 IG Annotated Clean CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C ZINC000095588920 IG Annotated Anodyne Cc1cc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)no1 ZINC000095589167 IG Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN4CCCC4)[C@@H](C=C4C(=O)c5c(O)cccc5O[C@]431)C2=O ZINC000095589260 IG Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)C1=O ZINC000095589671 IG Annotated Mild O=C1CC2(CCCC2)Oc2cc(OC[C@@H](O)CNc3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000095589768 IG Annotated Bother O=C1CC2(CCCC2)Oc2cc(OC[C@H](O)CNc3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000095589769 IG Annotated Bother CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc(CN4CCOCC4)cc3)c2C)C1=O ZINC000095590151 IG Annotated Mild CN(C)CCn1nc2c3c(c(NCCCCCCN4CC4)ccc31)C(=O)c1ccncc1-2 ZINC000095590411 IG Annotated Clean CCc1[nH]c2nc(Sc3ccc4nc[nH]c(=O)c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095590532 IG Annotated Anodyne CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(OC)c(OC)c(OO)c3)c2C)C1=O ZINC000095590964 IG Annotated Reactive CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095591180 IG Annotated Anodyne Cc1nn(-c2ccccc2)c2nc3c(nc12)/C(=N/N=C1/NC(=O)CS1)c1ccccc1-3 ZINC000095591604 IG Annotated Mild CCc1[nH]c2nc(Sc3ccc4c(c3)C(=O)NC4)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095591847 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4CN[C@H]4C3)c2c1Cl ZINC000095592304 IG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](N)C3)c2c1Cl ZINC000095592610 IG Annotated Anodyne Cc1ncc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)o1 ZINC000095592627 IG Annotated Anodyne Cc1cc(CCn2cc(-c3cccnc3)nc2Cn2c(=O)n(C3CC3)c3ccncc32)on1 ZINC000095592682 IG Annotated Anodyne CC1=C(C(=O)NCCO)C(=O)/C(=C\c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)N1 ZINC000095592703 IG Annotated Mild CCOC(=O)[C@@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593122 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593132 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593133 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593134 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)Nc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593135 IG Annotated Anodyne CC(C)OC(=O)CC[C@H](NSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC(C)C ZINC000095593281 IG Annotated Bother CCOC(=O)[C@]1(C(=O)NCCc2ccccc2F)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593650 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593651 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593652 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593653 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCc2ccc(C)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095593771 IG Annotated Anodyne C[C@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000095593953 IG Annotated Clean C[C@@H]1Oc2ccc(Br)cc2C=C1/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000095593954 IG Annotated Clean COC1=C(c2ccc(Cl)cc2)C(=O)O[C@@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594054 IG Annotated Anodyne COC1=C(c2ccc(Cl)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594055 IG Annotated Anodyne COC1=C(c2ccc(Cl)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594056 IG Annotated Anodyne COC1=C(c2ccc(Cl)cc2)C(=O)O[C@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 ZINC000095594057 IG Annotated Anodyne CCN1CC[C@H]2c3c(ccc(O)c3O)C[C@@H]1[C@]2(O)CCCN(C)C(=O)/C=C/c1ccoc1 ZINC000095594575 IG Annotated Clean O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 ZINC000095594647 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCc2ccc(C)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095594859 IG Annotated Anodyne C[S@@](=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12 ZINC000095595895 IG Annotated Anodyne C[S@](=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12 ZINC000095595896 IG Annotated Anodyne CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(F)cc1)c1ccccc1O2 ZINC000095596066 IG Annotated Anodyne COC(=O)C1=Cc2cc(OC)c(O)c(C)c2[C@@H](c2cc(C)c(O)c(OC)c2)[C@@H]1C(=O)OC ZINC000095596469 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095596611 IG Annotated Anodyne Cc1cc(-c2cc3c(NCc4cccnc4N(C)S(C)(=O)=O)c(C#N)cnc3[nH]2)ccn1 ZINC000095596758 IG Annotated Mild CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597290 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597291 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597292 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095597293 IG Annotated Anodyne Cc1cc(OCc2cnnn2-c2cccc(C(N)=O)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095597618 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598289 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598290 IG Annotated Anodyne CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598291 IG Annotated Anodyne CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000095598292 IG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@H](C)N[C@H](C)C1 ZINC000095598516 IG Annotated Anodyne Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccnc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 ZINC000095598584 IG Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccc(F)cc1 ZINC000095598717 IG Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095599339 IG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 ZINC000095599495 IG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 ZINC000095599496 IG Annotated Anodyne COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(F)c1 ZINC000095599677 IG Annotated Reactive COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1cccc(F)c1 ZINC000095599678 IG Annotated Reactive CC(C)C[C@H]1COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc2S(=O)(=O)N1 ZINC000095600075 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 ZINC000095600226 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600241 IG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 ZINC000095600242 IG Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 ZINC000095600688 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](CO)CO[C@H]2CC(=O)c2cccc3ccccc23)cc1 ZINC000095600800 IG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000095601596 IG Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCOc1ccccc1 ZINC000095601620 IG Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000095601621 IG Annotated Anodyne COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(-c3ccccc3OC)nn1)CC2 ZINC000095601963 IG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 ZINC000095601964 IG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 ZINC000095601965 IG Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095601994 IG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000095602416 IG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 ZINC000095602417 IG Annotated Anodyne O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(Br)cn1 ZINC000095602814 IG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 ZINC000095603009 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095603123 IG Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(Cc2ccc(C#N)cc2)C3=O)cc1 ZINC000095603297 IG Annotated Mild O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 ZINC000095603376 IG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 ZINC000095603377 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 ZINC000095603741 IG Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095603760 IG Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095603761 IG Annotated Anodyne Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](C(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095604113 IG Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095604558 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095604628 IG Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095604832 IG Annotated Mild CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095605384 IG Annotated Anodyne O=C1C(Sc2cccc(F)c2)=C[C@@]2(O)CC[C@@H](O)[C@]1(Sc1cccc(F)c1)[C@H]2O ZINC000095605397 IG Annotated Mild O=C(C1CCCCC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095605428 IG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccs1 ZINC000095605648 IG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccs1 ZINC000095605649 IG Annotated Anodyne COc1cc([C@]2(C)C3=C(COC3=O)N(C)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000095616071 IG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccc(OC)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095661027 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CN(C(=O)CC2CC2)C1 ZINC000095661251 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095661456 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C)C1 ZINC000095661727 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095661762 IG Annotated Anodyne CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095662070 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)C3CCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095662255 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095662313 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095662486 IG Annotated Anodyne CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095662499 IG Annotated Anodyne CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095662580 IG Annotated Anodyne CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095662843 IG Annotated Anodyne O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#CC4CC4)cc3[C@@H]21 ZINC000095663622 IG Annotated Mild COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095663661 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095663679 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCCC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095663959 IG Annotated Anodyne CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C 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CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679219 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679221 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679222 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679224 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679227 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679229 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679231 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679233 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679234 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679235 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679236 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679237 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679239 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679240 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095679394 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095679395 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095679396 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@H]1C ZINC000095679397 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095679399 IG Annotated Anodyne 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CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095690648 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690650 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095690651 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095690653 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095690656 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690657 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095691481 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691517 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 ZINC000095691587 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 ZINC000095691644 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691752 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095691927 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@H](C)CO2 ZINC000095691940 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095691995 IG Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 ZINC000095692035 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692188 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692198 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692201 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692259 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692318 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692356 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095692389 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095692408 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692446 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095692582 IG Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095692685 IG Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095693175 IG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701441 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701442 IG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701443 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095701444 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095701445 IG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095701446 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095701447 IG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095702408 IG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@@H]1CN(C)CC1CC1 ZINC000095702409 IG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CC1 ZINC000095702410 IG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O ZINC000095702411 IG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095708250 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095708251 IG Annotated Anodyne CCCN(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095708252 IG Annotated Anodyne CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095708253 IG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095715716 IG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095715718 IG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095715720 IG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095715722 IG Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095715725 IG Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C ZINC000095715727 IG Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095715728 IG Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C ZINC000095715730 IG Annotated Anodyne C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCCC1 ZINC000095755332 IG Annotated Anodyne C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccccc2F)n1)C1CCCCC1 ZINC000095755333 IG Annotated Anodyne C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000095755334 IG Annotated Anodyne C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 ZINC000095755335 IG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(C)[C@@]1(COCc1ccc(OC)cc1)Oc1ccccc12 ZINC000095783863 IG Annotated Anodyne C[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000095784303 IG Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)NCc3nc4ccccc4[nH]3)O[C@@H](OCCCCO)C2)cc1 ZINC000095784310 IG Annotated Mild COc1ccc(COC[C@]23N=C4SCCCN4[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000095784830 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(CC2CC2)C1 ZINC000095793646 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(CC2CC2)C1 ZINC000095793655 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C)C1 ZINC000095793671 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2F)C1 ZINC000095793753 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)Nc2cccc(F)c2)C1 ZINC000095793787 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793816 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095793817 IG Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095793921 IG Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095793923 IG Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2CC1CCOCC1 ZINC000095794136 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794161 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095794172 IG Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095794175 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794237 IG Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095794341 IG Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccncc1)[C@H](CO)N2 ZINC000095794451 IG Annotated Mild O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794590 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794770 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794772 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO ZINC000095794821 IG Annotated Anodyne O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095794880 IG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@H]23)cc1 ZINC000095795121 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@H]23)cc1 ZINC000095795123 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795125 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795168 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795169 IG Annotated Mild Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795195 IG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795196 IG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795197 IG Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795252 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795253 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795254 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795255 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795256 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4cccc(F)c4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795280 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795281 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795296 IG Annotated Mild O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795300 IG Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795301 IG Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795302 IG Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@@H]23)cc1 ZINC000095795335 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095795336 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccc(F)c4)C[C@H]23)cc1 ZINC000095795337 IG Annotated Mild O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795363 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795365 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795412 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095795413 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095795414 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795415 IG Annotated Anodyne O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095795416 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095795526 IG Annotated Anodyne CN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO ZINC000095795529 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095795532 IG Annotated Anodyne O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 ZINC000095795535 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@H]3CO)cc2)c1 ZINC000095795537 IG Annotated Mild CCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO ZINC000095795548 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795594 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095795595 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795596 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 ZINC000095795687 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795738 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795739 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795740 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795741 IG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795771 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795772 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095795773 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795781 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795782 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095795783 IG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095795785 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795786 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC3CCCC3)cc1)[C@@H]2CO ZINC000095795787 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC4CCCC4)cc3)[C@H]2C1 ZINC000095795788 IG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC4CCCC4)cc3)[C@@H]2C1 ZINC000095795789 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795790 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795791 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795792 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795793 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095795816 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095795817 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795818 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795819 IG Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095795898 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095795899 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095795967 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095795968 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCCC1)CC31CN(C(C)=O)C1 ZINC000095795980 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CN(C(C)=O)C1 ZINC000095795981 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)C2CC2)C1 ZINC000095796034 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)C2CC2)C1 ZINC000095796035 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095796060 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095796061 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C)C1 ZINC000095796106 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1ccncc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796201 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CCCC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796301 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095796394 IG Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095796403 IG Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095796404 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095796437 IG Annotated Anodyne O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095796438 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000095796499 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000095796500 IG Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)C12CN(CC1CCOCC1)C2 ZINC000095796519 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095796581 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 ZINC000095796582 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1cccnc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796730 IG Annotated Anodyne CCCC(=O)N1CC2(C1)CN(Cc1cccnc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095796731 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@@H]3CO)cc2)c1 ZINC000095796890 IG Annotated Mild COCC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095796926 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCCC4)[C@H]3C#N)cc2)c1 ZINC000095796992 IG Annotated Mild O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO ZINC000095797000 IG Annotated Anodyne COCC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095797178 IG Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095797341 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 ZINC000095797348 IG Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 ZINC000095797349 IG Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)c1 ZINC000095797374 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797375 IG Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797405 IG Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797406 IG Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095797407 IG Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797408 IG Annotated Anodyne O=C(NC1CCCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797409 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095797438 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797507 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095797536 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095797539 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797556 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095797557 IG Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095797558 IG Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 ZINC000095797559 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797560 IG Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797561 IG Annotated Anodyne O=S(=O)(NC[C@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 ZINC000095797580 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095797586 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)c1 ZINC000095797595 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095797596 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095797597 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)c1 ZINC000095797598 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)c1 ZINC000095797599 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095797600 IG Annotated Anodyne COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 ZINC000095797601 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797623 IG Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095797624 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 ZINC000095797631 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797656 IG Annotated Anodyne COCC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095797721 IG Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 ZINC000095797723 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 ZINC000095797755 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797781 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797868 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095797869 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797870 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095797871 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095797877 IG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095797878 IG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@H]34)cc2)c1 ZINC000095798038 IG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798046 IG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095798047 IG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798048 IG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095798049 IG Annotated Anodyne Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798050 IG Annotated Anodyne Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 ZINC000095798051 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095798066 IG Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095798067 IG Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095798068 IG Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@H]34)cc2)cc1 ZINC000095798072 IG Annotated Anodyne CN(C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CCC(F)(F)F)S(C)(=O)=O ZINC000095798287 IG Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 ZINC000095798353 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095798359 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095798393 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)c1 ZINC000095798395 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095798423 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798450 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798459 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798461 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095798485 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095798486 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095798491 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)c1 ZINC000095798522 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)cc1 ZINC000095798527 IG Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)c1ccccc1 ZINC000095798576 IG Annotated Mild CCCCN1C2=N[C@@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)c1ccccc1 ZINC000095798577 IG Annotated Mild CCCCN1C2=N[C@H]3C=CC=CN3C(=O)C2=C[C@@H](C(=O)OCC)/C1=N/C(=O)c1ccccc1 ZINC000095798578 IG Annotated Mild CCCCN1C2=N[C@H]3C=CC=CN3C(=O)C2=C[C@H](C(=O)OCC)/C1=N/C(=O)c1ccccc1 ZINC000095798579 IG Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cccc(OCCO)c1 ZINC000095808477 IG Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000095808602 IG Annotated Reactive CN(CCO)c1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1 ZINC000095808859 IG Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000095808888 IG Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(OC)cc1Br ZINC000095809403 IG Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O ZINC000095809414 IG Annotated Reactive O=C(NC[C@H]1CC[C@H]2[C@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 ZINC000095864437 IG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095864444 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@H]3CO)cc2)c1 ZINC000095864455 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095864560 IG Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095864583 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095864584 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1 ZINC000095865003 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1 ZINC000095865008 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2cccnc2)C1 ZINC000095865060 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2cccnc2)C1 ZINC000095865061 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 ZINC000095865086 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C)CC1 ZINC000095865115 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C)CC1 ZINC000095865116 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865208 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1 ZINC000095865210 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1 ZINC000095865244 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1 ZINC000095865245 IG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865260 IG Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(Cc1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865262 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 ZINC000095865308 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 ZINC000095865309 IG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865564 IG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865565 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866044 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866045 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095866046 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095866073 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095866075 IG Annotated Anodyne O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095866076 IG Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866095 IG Annotated Anodyne O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866097 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866238 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095866239 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866240 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866241 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095866270 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095866271 IG Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@H]34)cc2)c1 ZINC000095866283 IG Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095866286 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 ZINC000095866288 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095866289 IG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 ZINC000095866308 IG Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095866329 IG Annotated Anodyne Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095866363 IG Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 ZINC000095866364 IG Annotated Anodyne Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@H]34)cc2)cc1 ZINC000095866365 IG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866366 IG Annotated Anodyne Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095866367 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)c1 ZINC000095866432 IG Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095866480 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095866563 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@H]23)cc1 ZINC000095866564 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095866565 IG Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095866573 IG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095866593 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095866594 IG Annotated Mild O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095866613 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095866637 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095866664 IG Annotated Anodyne CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095866688 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095866689 IG Annotated Mild COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095866691 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095866694 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095866695 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 ZINC000095866697 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 ZINC000095866698 IG Annotated Anodyne COc1ccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)cc1 ZINC000095866699 IG Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095866706 IG Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095866715 IG Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095866726 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@H]23)cc1 ZINC000095866727 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@H]23)cc1 ZINC000095866728 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866729 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095866730 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCCC4)C[C@@H]23)cc1 ZINC000095866731 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095866733 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095866734 IG Annotated Mild O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095866789 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095866810 IG Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095866827 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)c1 ZINC000095866831 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866847 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866848 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095866849 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095866889 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866890 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866891 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866892 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095866893 IG Annotated Mild O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095866896 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095866941 IG Annotated Anodyne O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095866986 IG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095867013 IG Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(C(=O)CC2CC2)C1 ZINC000095867400 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095867448 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)NC(C)C)C1 ZINC000095867450 IG Annotated Anodyne CCC(=O)N1CC2(C1)CN(Cc1ccc(OC)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095867466 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1 ZINC000095867531 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1 ZINC000095867532 IG Annotated Anodyne CCCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095867587 IG Annotated Anodyne CCCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095867588 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095867666 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095867729 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095867777 IG Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095867996 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 ZINC000095868438 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 ZINC000095868546 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 ZINC000095868547 IG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868550 IG Annotated Anodyne CCCC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868569 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2ccccc2)C1 ZINC000095868670 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CN(Cc2ccccc2)C1 ZINC000095868671 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(C)C1 ZINC000095868702 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(C)C1 ZINC000095868703 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1 ZINC000095868710 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1 ZINC000095868711 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2cccnc2)CC1 ZINC000095868761 IG Annotated Anodyne CCC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095868772 IG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2cccnc2)CC1 ZINC000095868785 IG Annotated Anodyne CCCC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095868810 IG Annotated Anodyne CCCC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095868811 IG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 ZINC000095868878 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095869157 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)c1 ZINC000095869164 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCCC4)[C@H]3C#N)cc2)c1 ZINC000095869178 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869196 IG Annotated Mild O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO ZINC000095869227 IG Annotated Anodyne O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095869228 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)c1 ZINC000095869265 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)cc1 ZINC000095869277 IG Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCCC3)C23CN(C(=O)NC(C)C)C3)cc1 ZINC000095869291 IG Annotated Anodyne CC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(C#CCc2ccccc2)cc1 ZINC000095869302 IG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)c1 ZINC000095869362 IG Annotated Mild O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095869370 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)cc1 ZINC000095869388 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095869421 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095869424 IG Annotated Mild O=C(Nc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095869439 IG Annotated Mild O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO ZINC000095869447 IG Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095869451 IG Annotated Anodyne CCN1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095869452 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)cc1 ZINC000095869466 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095869467 IG Annotated Mild O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 ZINC000095869475 IG Annotated Anodyne O=S(=O)(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 ZINC000095869484 IG Annotated Anodyne COCC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095869485 IG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)c1 ZINC000095869502 IG Annotated Mild O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)NC1CCCC1 ZINC000095869505 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 ZINC000095869507 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095871364 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095871385 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095871386 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095871387 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095871388 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095871389 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095871456 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095871457 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095871458 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095871459 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095871460 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095871485 IG Annotated Anodyne O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095871486 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095871492 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095871493 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095871494 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871502 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871570 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095871571 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO ZINC000095871572 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871573 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 ZINC000095871574 IG Annotated Anodyne O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 ZINC000095871575 IG Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1OC)[C@@H](CO)N2 ZINC000095871827 IG Annotated Mild O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095871831 IG Annotated Anodyne CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H](CO)[C@@H]1O2 ZINC000095871850 IG Annotated Clean CCOC(=O)C(C(=O)OCC)c1cc(CN2C(=O)c3ccccc3C2=O)c2ccccc2n1 ZINC000095872289 IG Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873155 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873156 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095873157 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@H]23)cc1 ZINC000095873158 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873159 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873160 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CC4)C[C@@H]23)cc1 ZINC000095873161 IG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CC4)CCCCN3[C@H]2CO)cc1 ZINC000095873162 IG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095873660 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095873661 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095873662 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 ZINC000095873663 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 ZINC000095873664 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 ZINC000095873665 IG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO ZINC000095873666 IG Annotated Anodyne O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873746 IG Annotated Anodyne O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873747 IG Annotated Anodyne O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095873748 IG Annotated Anodyne O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095873749 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@H]23)cc1 ZINC000095873818 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 ZINC000095873819 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 ZINC000095873820 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@H]23)cc1 ZINC000095873821 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cccs4)CCCCN3[C@H]2CO)cc1 ZINC000095873822 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 ZINC000095873823 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 ZINC000095873824 IG Annotated Anodyne OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874249 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095874250 IG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874251 IG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874252 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3cccnc3)CCCCN21 ZINC000095874253 IG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874254 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874255 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3cccnc3)CCCCN12 ZINC000095874256 IG Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095874284 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095874285 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874286 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)CCCCN3[C@H]2CO)cc1 ZINC000095874287 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095874288 IG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095874299 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874300 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874301 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874302 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874303 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095874304 IG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095874305 IG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095874306 IG Annotated Mild O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874318 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874319 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095874320 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095874321 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095874322 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874323 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095874324 IG Annotated Anodyne O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095874325 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 ZINC000095874362 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 ZINC000095874363 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000095874364 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 ZINC000095874365 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H]2CO ZINC000095874366 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@@H]2CO ZINC000095874367 IG Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874384 IG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874385 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874386 IG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874387 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874388 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000095874389 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H]2CN(Cc3ccncc3)CCCCN21 ZINC000095874390 IG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H]2CN(Cc3ccncc3)CCCCN12 ZINC000095874391 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874408 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874409 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874410 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874411 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874412 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874413 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874414 IG Annotated Mild CC(C)NC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874415 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874478 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874479 IG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874480 IG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874481 IG Annotated Mild OC[C@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874482 IG Annotated Mild OC[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874483 IG Annotated Mild OC[C@@H]1[C@H](c2ccc(C#Cc3ccccc3)cc2)[C@@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874484 IG Annotated Mild OC[C@H]1[C@@H](c2ccc(C#Cc3ccccc3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN21 ZINC000095874485 IG Annotated Mild C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874775 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095874776 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1 ZINC000095874777 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 ZINC000095874778 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874779 IG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874780 IG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095874781 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095874999 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875000 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095875001 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875002 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875003 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095875004 IG Annotated Anodyne CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095875005 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875722 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875723 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095875724 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095875725 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO ZINC000095875726 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 ZINC000095875727 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875728 IG Annotated Anodyne O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 ZINC000095875729 IG Annotated Anodyne CC(C)(O)C#Cc1ccc([C@H]2[C@H]3CN(Cc4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095876960 IG Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095876961 IG Annotated Mild CC(C)(O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4ccccc4F)C[C@@H]23)cc1 ZINC000095876962 IG Annotated Mild CC(C)(O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccccc4F)C[C@@H]23)cc1 ZINC000095876963 IG Annotated Mild CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877036 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877037 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095877038 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877039 IG Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095877040 IG Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095877214 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccn4)CCCCN3[C@H]2CO)cc1 ZINC000095877215 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095877216 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095877217 IG Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@@H]23)cc1 ZINC000095877218 IG Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccccn4)C[C@H]23)cc1 ZINC000095877219 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H](CO)N3C)cc1 ZINC000095877399 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H](CO)N3C)cc1 ZINC000095877400 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 ZINC000095877401 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 ZINC000095877402 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@H]32)cc1 ZINC000095878145 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N[C@H]3CO)cc1 ZINC000095878146 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@@H]32)cc1 ZINC000095878147 IG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(Br)cc4[C@@H]32)cc1 ZINC000095878148 IG Annotated Anodyne CCCNC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccc(OC)cc3)ccc1N(C)[C@@H]2CO ZINC000095878159 IG Annotated Mild 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O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878258 IG Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095878259 IG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3C)cc1 ZINC000095878419 IG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3C)cc1 ZINC000095878420 IG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 ZINC000095878421 IG Annotated Anodyne COc1ccccc1C#Cc1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)c1ccncc1)[C@H](CO)N2 ZINC000095878497 IG Annotated Mild COc1ccccc1C#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)c1ccncc1)[C@@H](CO)N2 ZINC000095878498 IG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2cncnc2)[C@H](CO)N3)cc1 ZINC000095878506 IG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2Cc2cncnc2)[C@@H](CO)N3)cc1 ZINC000095878507 IG Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3)cc1 ZINC000095878689 IG Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3)cc1 ZINC000095878690 IG Annotated Mild CN1c2ccc(C#Cc3ccccc3F)cc2[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H]1CO ZINC000095878855 IG Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2ccccn2)[C@@H](CO)N3)cc1 ZINC000095878873 IG Annotated Mild COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CCCC1 ZINC000095878935 IG Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 ZINC000095878936 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1CC1CCCC1 ZINC000095879251 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1CC1CCCC1 ZINC000095879252 IG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCCC1 ZINC000095879397 IG Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 ZINC000095879398 IG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCCC1 ZINC000095879421 IG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 ZINC000095879422 IG Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO ZINC000095879483 IG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1ccccc1 ZINC000095879484 IG Annotated Anodyne CCN1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 ZINC000095879487 IG Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 ZINC000095879488 IG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccccc1 ZINC000095879907 IG Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 ZINC000095879908 IG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCCCC1 ZINC000095880012 IG Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 ZINC000095880013 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1CC1CC1 ZINC000095880227 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1CC1CC1 ZINC000095880228 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1CC1CC1 ZINC000095880229 IG Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1CC1CC1 ZINC000095880230 IG Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CCc1ccccc1 ZINC000095880438 IG Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 ZINC000095880439 IG Annotated Anodyne 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O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900771 IG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 ZINC000095900772 IG Annotated Anodyne O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 ZINC000095900773 IG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901762 IG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901763 IG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901764 IG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901765 IG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901766 IG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901767 IG Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901768 IG Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901769 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904816 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904817 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904818 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904819 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904820 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904821 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095904822 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905292 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905293 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905294 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905295 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905296 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905297 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905298 IG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905299 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095906931 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095906932 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095906933 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095906934 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095906935 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095906936 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO ZINC000095907170 IG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO ZINC000095907171 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907280 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907281 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907282 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907283 IG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907284 IG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907285 IG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907286 IG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095907287 IG Annotated Anodyne C[C@H]1C=C[C@H]2[C@@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 ZINC000095912325 IG Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C=C2C(=O)OC[C@]23C[C@@H](OC(C)=O)[C@@H](C)[C@@](C)(C[C@@H](O)c2ccoc2)[C@H]3C1 ZINC000095915006 IG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](OC(C)=O)C23CCC(CC2)C[C@H]3[C@@]23CCC[C@@](C)(C(=O)N4CCO[C@H]42)[C@@H]13 ZINC000095918723 IG Annotated Anodyne in-vitro biogenic C=C1CC[C@@H]2C[C@@H]2/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000095919095 IG Annotated Mild in-vitro biogenic CC(/C=C/C(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](C)C[C@@H](C)C/C(C)=C/C=O)=C\[C@@H](CO)CCO ZINC000095919109 IG Annotated Reactive in-vitro biogenic C/C(=C/C=O)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@@H](CO)CCO ZINC000095919110 IG Annotated Reactive in-vitro biogenic CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)C(=O)/C=C\[C@@]1(C)O ZINC000095919362 IG Annotated Mild in-vitro biogenic Cc1ccc(C(=O)NCc2cn([C@@H](CC(=O)NO)Cc3ccc4ccccc4c3)nn2)cc1 ZINC000095921124 IG Annotated Bother CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3C[C@@H]4[C@H](N)C[C@]4(C)C3)c12 ZINC000095921170 IG Annotated Anodyne CCc1[nH]c2nc(Sc3ccc4c(c3)C(=O)N=C4)nc(N3CC[C@@H](N)C3)c2c1Cl ZINC000095921199 IG Annotated Anodyne CN(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccccc1Br ZINC000096019394 IG Annotated Anodyne C#CCCCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019946 IG Annotated Anodyne C#CCCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccccc1Br ZINC000096019949 IG Annotated Anodyne C#CCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccc(F)cc1Br ZINC000096019952 IG Annotated Anodyne COC(=O)[C@H](C(C)C)N1Cc2nnn(CC3CCCCC3)c2-c2ccccc2S1(=O)=O ZINC000096019969 IG Annotated Anodyne CCCCCCCCN1CCS(=O)(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)OC)C1 ZINC000096020376 IG Annotated Anodyne C=CCN1[C@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020500 IG Annotated Anodyne C=CCN1[C@H](Cc2ccccc2)COc2cc(N3CCSCC3)ccc2S1(=O)=O ZINC000096020501 IG Annotated Anodyne C=CCN1[C@@H](Cc2ccccc2)COc2cccc(N3CCSCC3)c2S1(=O)=O ZINC000096020502 IG Annotated Anodyne CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(Cc2ccco2)nn1 ZINC000096020681 IG Annotated Anodyne O=S1(=O)c2c(cccc2N2CCCC2)O[C@H](COCc2ccccc2)CN1C1CC1 ZINC000096021352 IG Annotated Anodyne C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@]4(O)CC[C@]3(CO4)[C@H]1[C@H]2O ZINC000096085473 IG Annotated Anodyne in-vitro N[C@H](C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@@H]1CSCN1 ZINC000096167855 IG Annotated Anodyne N[C@H](C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@@H]1CSCN1 ZINC000096167856 IG Annotated Anodyne N[C@H](C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@H]1CSCN1 ZINC000096167857 IG Annotated Anodyne N[C@H](C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@H]1CSCN1 ZINC000096167858 IG Annotated Anodyne COc1ccc2c(n1)C=C(C(=O)N1CCc3nc(-c4cccnc4)nc(OC(C)C)c3C1)C2 ZINC000096168393 IG Annotated Anodyne COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1 ZINC000096168503 IG Annotated Anodyne CC(C)CCS(=O)(=O)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 ZINC000096169505 IG Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3nc(Cc4ccc(N5CCOCC5)cc4)nn3c2)cc1 ZINC000096169562 IG Annotated Anodyne CCC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170048 IG Annotated Anodyne CCC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O ZINC000096170049 IG Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1 ZINC000096170169 IG Annotated Anodyne COCCO/N=C(\C)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170370 IG Annotated Mild COCCO/N=C(\C)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170371 IG Annotated Mild C/C(=N\OCCCCO)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170372 IG Annotated Mild COc1cc(C(F)(F)F)cc(SC)c1C(=O)C[C@H]1COCC[C@@H]1N1CC[C@H](O)C1 ZINC000096170636 IG Annotated Anodyne Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172416 IG Annotated Anodyne Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172417 IG Annotated Anodyne Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172418 IG Annotated Anodyne Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172419 IG Annotated Anodyne Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N(C)C)n1 ZINC000096172471 IG Annotated Anodyne COc1ncc(F)c(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172476 IG Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1 ZINC000096173250 IG Annotated Anodyne Cc1cscc1-c1ccc(C(=O)NC2=NC(CN3CCN(C)CC3)=CC2)c2nccnc12 ZINC000096173404 IG Annotated Anodyne O=C(Nc1cccc2c1C(c1nc3ccc(N4CCOCC4)cc3[nH]1)=NC2)[C@@H]1CC1(F)F ZINC000096174710 IG Annotated Anodyne O=C(Nc1cccc2c1C(c1nc3ccc(N4CCOCC4)cc3[nH]1)=NC2)[C@H]1CC1(F)F ZINC000096174711 IG Annotated Anodyne CN1CCN(C2=NC(=O)/C(=C/c3ccc(Br)c(Br)c3)S2)CC1 ZINC000096174735 IG Annotated Clean CN1CCN(C2=NC(=O)/C(=C/c3cc(Br)cc(Br)c3)S2)CC1 ZINC000096174736 IG Annotated Clean Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@@H]1CC[C@H](C2)N1 ZINC000096175262 IG Annotated Anodyne Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@H]1CC[C@@H](C2)N1 ZINC000096175263 IG Annotated Anodyne COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175368 IG Annotated Anodyne COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175369 IG Annotated Anodyne CC(=O)Nc1ccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 ZINC000096176079 IG Annotated Anodyne CNC(=O)c1cccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)c1 ZINC000096176083 IG Annotated Anodyne CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccnc1OCCO ZINC000096176536 IG Annotated Mild C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(C3CCCCC3)n2)C[C@@H](N)[C@@H]1O ZINC000096177659 IG Annotated Anodyne Nc1cc(F)c(-c2ccccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@H](N)C1 ZINC000096177707 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@H](N)[C@H](O)CC1 ZINC000096177733 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@@H](N)[C@H](O)CC1 ZINC000096177734 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@H](N)[C@@H](O)CC1 ZINC000096177735 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@@H](N)[C@@H](O)CC1 ZINC000096177736 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@H](N)C1 ZINC000096177745 IG Annotated Anodyne Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@@H](N)C1 ZINC000096177747 IG Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3ccccc3F)n2)C[C@@H](O)[C@@H]1O ZINC000096177761 IG Annotated Anodyne C[C@H]1CN(c2ccncc2CC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](O)[C@@H]1O ZINC000096177762 IG Annotated Anodyne Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cc3F)c(F)c(N3CCOCC3)n2)n[nH]1 ZINC000096269739 IG Annotated Anodyne O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4F)cc3)c2[nH]n1C[C@@H](O)CO ZINC000096269815 IG Annotated Anodyne O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4F)cc3)c2[nH]n1C[C@H](O)CO ZINC000096269819 IG Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)c1 ZINC000096274109 IG Annotated Anodyne CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)c1 ZINC000096274110 IG Annotated Anodyne S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000096282920 IG Annotated Anodyne S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 ZINC000096282921 IG Annotated Anodyne Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 ZINC000096283993 IG Annotated Anodyne COc1ccc2nccc(/C=C/[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1 ZINC000096284038 IG Annotated Anodyne COc1ccc2nccc(CC[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1 ZINC000096284050 IG Annotated Anodyne N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 ZINC000096284120 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccc(F)cc2)c1 ZINC000096284121 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2cccc(F)c2)c1 ZINC000096284126 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2cccc(F)c2)c1 ZINC000096284127 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc[n+](Cc2ccccc2F)c1 ZINC000096284130 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc[n+](Cc2ccccc2F)c1 ZINC000096284131 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 ZINC000096284136 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccc(F)cc2)cc1 ZINC000096284137 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2cccc(F)c2)cc1 ZINC000096284142 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2cccc(F)c2)cc1 ZINC000096284143 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc[n+](Cc2ccccc2F)cc1 ZINC000096284148 IG Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc[n+](Cc2ccccc2F)cc1 ZINC000096284149 IG Annotated Reactive O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cncs1 ZINC000096284446 IG Annotated Anodyne Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1 ZINC000096285046 IG Annotated Anodyne Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1 ZINC000096285057 IG Annotated Anodyne COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1 ZINC000096318652 IG Annotated Anodyne CN1C[C@H](c2ccc(F)c(F)c2)[C@]2(SC(=O)NC2=S)[C@]12C(=O)Nc1ccccc12 ZINC000096903040 IG Annotated Anodyne CC(=O)O[C@H](C)[C@H]1CC[C@]2(O)[C@]3(O)C[C@@H](OC(C)=O)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@]12C ZINC000096903062 IG Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)n1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1c(F)ccc(F)c12 ZINC000096906465 IG Annotated Anodyne C/C(=N\OC(C)C)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907359 IG Annotated Mild CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccccc32)N1C(=O)c1ccc(Cl)cc1 ZINC000096908990 IG Annotated Anodyne CCOC(=O)[C@@H]1CS[C@]2(N1)C(=O)N(C(=O)c1ccc(Cl)cc1)c1ccc(C)cc12 ZINC000096909002 IG Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2cc(C#N)ccn2)n1 ZINC000096909840 IG Annotated Mild NC(=O)[C@H]1CCCN1CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(Cl)cc3c21 ZINC000096909999 IG Annotated Anodyne NC(=O)[C@@H]1CCCN1CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(Cl)cc3c21 ZINC000096910000 IG Annotated Anodyne Cc1cc(=O)n(C(=O)COc2c(Br)cc(Br)c3cccnc23)[nH]1 ZINC000096910081 IG Annotated Anodyne COc1ccc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1OC ZINC000096910131 IG Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccc3ccccc3c1)c(C(F)(F)F)[n+]2[O-] ZINC000096911052 IG Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1ccnn1)OCOC(=O)C(C)(C)C ZINC000096913258 IG Annotated Anodyne CC(=O)N1N=C(c2ccc(I)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000096913461 IG Annotated Bother CC(=O)N1N=C(c2ccc(I)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000096913462 IG Annotated Bother CCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21 ZINC000096913566 IG Annotated Anodyne N/C(S)=N\NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000096914484 IG Annotated Mild CCN(CC)C[C@H](O)CNC1=N/C(=N/C(=N)Nc2ccc(Cl)c(Cl)c2)N=C(C)C1 ZINC000096914697 IG Annotated Mild CCN(CC)C[C@@H](O)CNC1=N/C(=N/C(=N)Nc2ccc(Cl)c(Cl)c2)N=C(C)C1 ZINC000096914698 IG Annotated Mild COc1ccn2cc(-c3cccc(-c4cncc(O[C@H]5CCOC5)c4)c3)nc2c1C(N)=O ZINC000096916068 IG Annotated Anodyne COc1c(O)c(C(=O)O)c2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000096922553 IG Annotated Anodyne COc1cc(CO)c(-c2c(C[C@H](C)C(C)=O)cc3c(c2OC)OCO3)c(OC)c1OC ZINC000096922558 IG Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](O)c3c(cc4occc4c3C)[C@@]12C ZINC000096923932 IG Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CC[C@H]3[C@@H](C)C4=CC(=O)OC4=C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O ZINC000096923939 IG Annotated Anodyne C[C@]1(c2nc(NC(=O)c3ncc(Cl)cc3Cl)ccc2F)N=C(N)OCC1(F)F ZINC000096923946 IG Annotated Anodyne Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccc(F)cc4F)CC3)ccc2n1 ZINC000096928376 IG Annotated Anodyne CC(C)c1nccn1-c1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1 ZINC000096928710 IG Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2C(N)=S)CCCC4)cc(OC)c1OC ZINC000096928920 IG Annotated Anodyne CCC(CC)COc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096932472 IG Annotated Anodyne Nc1nc(OCc2ccccc2)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1 ZINC000096932474 IG Annotated Anodyne COc1ccc2c(c1)CCc1c(-c3ccc(OCCCCC(=O)NN)cc3)nc(N)nc1-2 ZINC000096935154 IG Annotated Reactive COc1ccc2c(c1)CCc1c(-c3ccc(OCCCCCC(=O)NN)cc3)nc(N)nc1-2 ZINC000096935155 IG Annotated Reactive C=CC(=O)Nc1c(OC)cc(O)c2c(=O)n(-c3cccc(C(=O)N4CCCCC4)c3)ccc12 ZINC000096938029 IG Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(F)c(F)c2)cc1CNCCN1CCN(C)CC1 ZINC000096938539 IG Annotated Anodyne COc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CNCCN2CCN(C)CC2)cc1 ZINC000096938557 IG Annotated Anodyne CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2Cc2ccccc2)CC1 ZINC000096938563 IG Annotated Anodyne Cc1ccccc1-c1nn(-c2cc(F)ccc2F)cc1CNCCN1CCN(C)CC1 ZINC000096938968 IG Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(F)cc3F)cc2CNCCN2CCN(C)CC2)cc1 ZINC000096938980 IG Annotated Anodyne Cc1cccc(-c2nn(-c3ccc(F)cc3F)cc2CNCCN2CCN(C)CC2)c1 ZINC000096938984 IG Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCN(C)CC1 ZINC000096938987 IG Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@H](O)CN1CCOCC1 ZINC000096939083 IG Annotated Anodyne COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000096939084 IG Annotated Anodyne CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCNCC3)no2)cc1 ZINC000096939422 IG Annotated Anodyne CN(C)CCCNC(=O)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939876 IG Annotated Bother Cc1cc(=O)oc2c(-c3nn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3C=O)c(O)ccc12 ZINC000096940182 IG Annotated Bother CN1c2ccccc2C(=O)N2[C@H](C(=O)N3CCSCC3)Cc3c([nH]c4ccccc34)[C@@H]12 ZINC000096940245 IG Annotated Clean CN1c2ccccc2C(=O)N2[C@@H](C(=O)N3CCSCC3)Cc3c([nH]c4ccccc34)[C@H]12 ZINC000096940246 IG Annotated Clean N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)c(F)c1F ZINC000096940485 IG Annotated Mild N#Cc1c(F)cc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1F ZINC000096940486 IG Annotated Mild N#Cc1cc(F)c([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)c(F)c1 ZINC000096940487 IG Annotated Mild N#Cc1ccc([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@@H]3CC(F)(F)CN32)cc1 ZINC000096940497 IG Annotated Mild N#Cc1ccc([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CC(F)(F)CN32)cc1 ZINC000096940498 IG Annotated Mild CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(F)cc3)C(=O)N2c2ccco2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000098081930 IG Annotated Anodyne CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(c2ccc(F)cc2)C(=O)N1c1ccco1 ZINC000098081931 IG Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000098082330 IG Annotated Reactive Cc1cc(O)c(-c2csc(N3C(=O)CS[C@H]3c3cccc([N+](=O)[O-])c3)n2)c(=O)o1 ZINC000098083756 IG Annotated Bother Cc1cc(O)c(-c2csc(N3C(=O)CS[C@@H]3c3cccc([N+](=O)[O-])c3)n2)c(=O)o1 ZINC000098083757 IG Annotated Bother CC(=O)NC1=NN(C(C)=O)[C@]2(CC3(CCCCC3)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098083913 IG Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(CC3(CCCCC3)Oc3ccc(OC(C)=O)cc32)S1 ZINC000098083914 IG Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)cc1 ZINC000098084058 IG Annotated Reactive C=CCn1c(=O)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc2ccccc21 ZINC000098084999 IG Annotated Reactive COCCNC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCc2cc(C#N)ccc23)ccc1C ZINC000098185372 IG Annotated Mild COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)n2CC(=O)O ZINC000098208131 IG Annotated Anodyne O=P(O)(O)C(Nc1ncnc2sc(-c3ccc(C4CC4)cc3)cc12)P(=O)(O)O ZINC000098209644 IG Annotated Anodyne