O=C(O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000001023794 HG Annotated Anodyne CC(C)N1C(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2C1=O ZINC000001027542 HG Annotated Anodyne COC(=O)c1ccc2c(c1)N(C)S(=O)(=O)/C(=C\Nc1ccc(Cl)cc1)C2=O ZINC000001038441 HG Annotated Mild O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000001160920 HG Annotated Bother C#CC(=O)N(c1ccc2c(c1)OCCO2)[C@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000001376641 HG Annotated Mild C#CC(=O)N(c1ccc2c(c1)OCCO2)[C@@H](C(=O)NC1CCCC1)c1ccccc1 ZINC000001376642 HG Annotated Mild Cc1cccc2cc(CN(Cc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c12 ZINC000001376752 HG Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000001484952 HG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000001484956 HG Annotated Mild O=c1oc(Nc2ccccc2I)nc2cc([N+](=O)[O-])ccc12 ZINC000001485517 HG Annotated Bother O=C1c2ccccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000001492560 HG Annotated Anodyne O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000001492708 HG Annotated Reactive C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 ZINC000001493887 HG Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1C[C@H]2CCC[C@@H](C2)C1)C3 ZINC000100051354 HG Annotated Anodyne CN1C(C(=O)Nc2ccccn2)=C(O)c2sc3cc(Cl)ccc3c2S1(=O)=O ZINC000100055606 HG Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1 ZINC000100061118 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@H]2C[C@@H]3CC[C@@H]2C3)nc1 ZINC000100061120 HG Annotated Mild CN(C)c1ccc(/C=C/c2cnc(OCCO)c([125I])c2)cc1 ZINC000100067271 HG Annotated Clean O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000100071503 HG 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)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000100071504 HG 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)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000100071507 HG 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)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000100071508 HG Annotated Anodyne O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100088007 HG Annotated Anodyne CS(=O)(=O)N1C[C@@H]2[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H](C1)N2CC1CC1 ZINC000100088053 HG Annotated Anodyne CC1=C[C@@H]2/C=C(\C)C[C@H](CO)C[C@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000100090499 HG Annotated Mild in-vitro O=S(=O)(c1cccc(F)c1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100092070 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)c1 ZINC000100092653 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100093480 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100094107 HG Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]2N3)cc1 ZINC000100097850 HG Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101309 HG Annotated Anodyne N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100101315 HG Annotated Mild N#Cc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100101319 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)c1 ZINC000100101530 HG Annotated Anodyne Cc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100101547 HG Annotated Anodyne Cc1cccc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100101548 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)c1 ZINC000100101553 HG Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1 ZINC000100101640 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)cc1 ZINC000100101733 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)cc1 ZINC000100101734 HG Annotated Anodyne N#Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)c1 ZINC000100101763 HG Annotated Mild N#Cc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3ccccc3)cc2)c1 ZINC000100101765 HG Annotated Mild COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101808 HG Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100101810 HG Annotated Anodyne Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(N3[C@@H]4CC[C@@H]3COC4)ccnc21 ZINC000100102559 HG Annotated Mild Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(N3[C@H]4CC[C@H]3COC4)ccnc21 ZINC000100102563 HG Annotated Mild O=C(Nc1ccc2c(c1)OCO2)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100105871 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100105872 HG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000100106224 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccnc2)cc1 ZINC000100106310 HG Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100106328 HG Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)c1 ZINC000100106332 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cccnc2)cc1 ZINC000100106456 HG Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5ccccc5)C[C@@H]3N4)cc2)c1 ZINC000100106504 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccncc3)cc2)cc1 ZINC000100106662 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccncc3)cc2)cc1 ZINC000100106665 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106679 HG Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100106681 HG Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)cc1 ZINC000100107003 HG Annotated Anodyne COc1ccc(NC(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cncnc3)cc2)cc1 ZINC000100107126 HG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccncc2)cc1 ZINC000100107262 HG Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccncc2)cc1 ZINC000100107264 HG Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3cncnc3)cc2)cc(OC)c1 ZINC000100107804 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)cc1 ZINC000100107846 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCC5)C[C@@H]3N4)cc2)cc1 ZINC000100107849 HG Annotated Anodyne COc1cc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3cncnc3)cc2)cc(OC)c1 ZINC000100107914 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1 ZINC000100108550 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5nccs5)C[C@@H]3N4)cc2)c1 ZINC000100108554 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccn3)cc2)cc1 ZINC000100108865 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccnc3)cc2)c1 ZINC000100109225 HG Annotated Anodyne COc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2ccccc2)cc1 ZINC000100109502 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3nccs3)cc2)c1 ZINC000100113916 HG Annotated Anodyne COc1ccccc1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000100114345 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000100130304 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000100130306 HG Annotated Anodyne CCCCCCC[C@H](O)[C@H]1C(=O)O[C@@]2(C)C(=O)C3=C(C=C(/C=C/C(=O)O)OC3)C[C@H]12 ZINC000100155390 HG Annotated Mild CCCCN1C(=O)/C(=N\NC(=O)c2ccncc2)c2cc(Br)ccc21 ZINC000100175907 HG Annotated Reactive O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@@]1(CO)N=C1SCCCN12)c1ccccc1 ZINC000100264236 HG Annotated Anodyne COc1ccc([C@H]2C[C@H]3C(I)=C[C@H]2C(=O)[C@]32CO2)cc1OC ZINC000100264418 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000100290321 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000100290325 HG Annotated Anodyne COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)ccc1O ZINC000100297619 HG Annotated Mild COc1cc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ccccn2)ccc1O ZINC000100297627 HG Annotated Mild O=C(CN1[C@H](C(=O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000100309097 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000100309328 HG Annotated Reactive in-vitro C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000100309332 HG Annotated Reactive in-vitro C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C\[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000100309336 HG Annotated Reactive in-vitro Cc1cc(C)nc(SCc2ccc(C(=O)NN/C=C3\C=CC=C(O)C3=O)cc2)n1 ZINC000100371086 HG Annotated Reactive COc1ccc2c(c1)N(c1ccccc1)[C@H]1[C@@H]3[C@@H](O)OCC=C4CN5CC[C@]21[C@@H]5C[C@H]43 ZINC000100406442 HG Annotated Anodyne in-vitro biogenic COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@H]2CCCO2)c(OC)c1 ZINC000100425871 HG Annotated Anodyne COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N/S(=O)(=O)c3ccccc3)N1CC2 ZINC000100427374 HG Annotated Reactive O=C(Nc1nc2c(s1)CCCC2)C1=CC2=N[C@H](C3CC3)C[C@H](C(F)(F)F)N2N1 ZINC000100443635 HG Annotated Anodyne O=C(Nc1nc2c(s1)CCCC2)C1=CC2=N[C@@H](C3CC3)C[C@H](C(F)(F)F)N2N1 ZINC000100443642 HG Annotated Anodyne O=C(Nc1nc2c(s1)CCCC2)C1=CC2=N[C@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 ZINC000100443649 HG Annotated Anodyne O=C(Nc1nc2c(s1)CCCC2)C1=CC2=N[C@@H](C3CC3)C[C@@H](C(F)(F)F)N2N1 ZINC000100443653 HG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100443917 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100443923 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(OC)c2)cc1 ZINC000100443927 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(OC)c2)cc1 ZINC000100443932 HG Annotated Mild COc1ccccc1N1C(SCC(=O)N2CCCCC2)=NN/C1=C1\C=CC=CC1=O ZINC000100447971 HG Annotated Mild CCOC(=O)C1=C(NC(=O)c2ccc(Br)o2)Nc2ccccc2N=C1 ZINC000100448034 HG Annotated Anodyne COC(=O)c1ccc(CSc2nc3n(-c4ccc(C)c(C)c4)[nH]cc-3c(=O)n2)o1 ZINC000100454022 HG Annotated Anodyne COc1ccc(CC(=O)NC2=CC(=O)/C(=C3/Nc4cc(C)ccc4O3)C=C2)cc1OC ZINC000100465079 HG Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@@H](c1cccc(Cl)c1)N(Cc1ccco1)C2=O ZINC000100489682 HG Annotated Mild O=C1C=CC=C/C1=C1\NNC2=C1[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C2=O ZINC000100489689 HG Annotated Mild O=C(Nc1ccc(F)cc1)c1nc2n(Cc3cccc4ccccc34)[nH]nc-2c(=O)n1 ZINC000100492462 HG Annotated Anodyne CN[C@@H]1CC[C@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000100496086 HG Annotated Reactive CN[C@H]1CC[C@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000100496088 HG Annotated Reactive CN[C@@H]1CC[C@@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000100496090 HG Annotated Reactive CN[C@H]1CC[C@@H](Br)C[C@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000100496093 HG Annotated Reactive O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000100513686 HG Annotated Bother O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000100513698 HG Annotated Bother C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccco3)ccc2O1 ZINC000100517328 HG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@@H]4CCCO4)[C@H]3c3ccco3)ccc2O1 ZINC000100517333 HG Annotated Mild C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000100517338 HG Annotated Mild C[C@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000100517342 HG Annotated Mild CC1CCN(C(=O)CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)CC1 ZINC000100517832 HG Annotated Anodyne O=C1C=CC(Cl)=C/C1=C1\C[C@@H](c2cc(Br)cc3c2OCOC3)NN1 ZINC000100527809 HG Annotated Mild O=C1C=CC(Cl)=C/C1=C1\C[C@H](c2cc(Br)cc3c2OCOC3)NN1 ZINC000100527815 HG Annotated Mild CCCC1=C/C(=C2/NC(N)=NC=C2c2ccc3c(c2)OCCCO3)C(=O)C=C1OC ZINC000100536562 HG Annotated Mild CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=C1/NC(=S)NC1=O ZINC000100538414 HG Annotated Anodyne CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=C1/NC(=S)NC1=O ZINC000100538422 HG Annotated Anodyne CCC1=C/C(=C2/NC(N)=NC=C2c2ccc(Br)cc2)C(=O)C=C1OC ZINC000100555146 HG Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C/NN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 ZINC000100565161 HG Annotated Clean Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2nncc-2c1O ZINC000100615553 HG Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)C[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 ZINC000100621304 HG Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000100630894 HG Annotated Anodyne CN(C)Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@@H]2N3)cc1 ZINC000100632278 HG Annotated Anodyne CN(C)Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@H]2N3)cc1 ZINC000100632296 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cncc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633096 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cncc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633105 HG Annotated Anodyne COc1cc(S(=O)(=O)n2ncc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 ZINC000100633123 HG Annotated Anodyne COc1cc(S(=O)(=O)n2ncc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 ZINC000100633130 HG Annotated Anodyne CS(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4occc34)CC2)CC1 ZINC000100636730 HG Annotated Anodyne COCCC(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636776 HG Annotated Anodyne CC(C)(O)C(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637034 HG Annotated Anodyne CO[C@H](C)C(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637067 HG Annotated Anodyne CO[C@@H](C)C(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100637073 HG Annotated Anodyne O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000100652152 HG Annotated Reactive O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000100652154 HG Annotated Reactive COc1ccc(OC)c(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)c1 ZINC000100695435 HG Annotated Anodyne COc1cccc(CNc2nc3nc(C)c(Cc4ccccc4)c(O)n3n2)c1OC ZINC000100695453 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 ZINC000100703161 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 ZINC000100703163 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 ZINC000100703205 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Br)cc1)C1=C(O)CCCC1=N2 ZINC000100703206 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(O)CCCC1=N2 ZINC000100703223 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(O)CCCC1=N2 ZINC000100703225 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(C(F)(F)F)c1)C1=C(O)CCCC1=N2 ZINC000100703244 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(C(F)(F)F)c1)C1=C(O)CCCC1=N2 ZINC000100703245 HG Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703247 HG Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000100703249 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Br)C1=C(O)CCCC1=N2 ZINC000100704029 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Br)C1=C(O)CCCC1=N2 ZINC000100704031 HG Annotated Anodyne COC1=Nc2ccccc2C2=N[C@H](CN3CCN(c4ccccc4Cl)CC3)CN12 ZINC000100740191 HG Annotated Anodyne COC1=Nc2ccccc2C2=N[C@@H](CN3CCN(c4ccccc4Cl)CC3)CN12 ZINC000100740193 HG Annotated Anodyne COc1cccc(N2CCN(C[C@@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)c1 ZINC000100740228 HG Annotated Anodyne COc1cccc(N2CCN(C[C@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)c1 ZINC000100740232 HG Annotated Anodyne COc1ccc(N2CCN(C[C@@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)cc1 ZINC000100740255 HG Annotated Clean COc1ccc(N2CCN(C[C@H]3CN4C(SC)=Nc5ccccc5C4=N3)CC2)cc1 ZINC000100740257 HG Annotated Clean CCn1c(=O)n(Cc2nc3ccccc3n2CCCC[C@@H](O)C(C)=O)c2ccccc21 ZINC000100761814 HG Annotated Anodyne COc1cc([C@]23OC[C@]24[C@H]2[C@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000100767732 HG Annotated Anodyne COc1cc([C@@]23OC[C@]24[C@H]2[C@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000100767736 HG Annotated Anodyne COc1cc([C@]23OC[C@]24[C@H]2[C@@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000100767740 HG Annotated Anodyne COc1cc([C@@]23OC[C@]24[C@H]2[C@@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000100767741 HG Annotated Anodyne C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O ZINC000100771369 HG Annotated Mild C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000100771373 HG Annotated Mild CO[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000100776659 HG Annotated Anodyne in-man endogenous CO[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000100776660 HG Annotated Anodyne in-man endogenous CO[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000100776661 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 ZINC000100782784 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 ZINC000100782786 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 ZINC000100782787 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@H]12 ZINC000100782791 HG Annotated Reactive in-man endogenous COC1=C[C@@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@@H]1OC ZINC000100783168 HG Annotated Mild in-man endogenous COC1=C[C@@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@H]1OC ZINC000100783171 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@@H]1OC ZINC000100783172 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@H]1OC ZINC000100783174 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@H]2C[C@H]3O[C@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@]43C)[C@]2(C)C1=O ZINC000100783528 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@]43C)[C@]2(C)C1=O ZINC000100783530 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@H]2C[C@H]3O[C@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]34C)[C@]2(C)C1=O ZINC000100783531 HG Annotated Mild in-man endogenous COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]34C)[C@]2(C)C1=O ZINC000100783534 HG Annotated Mild in-man endogenous CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)CC1 ZINC000100793549 HG Annotated Bother CN(C)CCOCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F ZINC000100817048 HG Annotated Anodyne C=C(C)[C@@H]1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)oc(CC)c(C)c3=O)c2O1 ZINC000100829991 HG Annotated Mild in-man C=C(C)[C@H]1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)oc(CC)c(C)c3=O)c2O1 ZINC000100829992 HG Annotated Mild in-man Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN2c3ccccc3OC[C@@H]2C1 ZINC000100856533 HG Annotated Anodyne CC1=C(CO[P@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O ZINC000100869375 HG Annotated Reactive COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCN)OCO2 ZINC000100870932 HG Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(N4CCOCC4)=CC[C@H]3[C@H](Cc3ccc(N4CCOCC4)cc32)N1C ZINC000100931718 HG Annotated Anodyne COc1ccccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C[C@H]1COc2cccc(OC)c2O1 ZINC000100984928 HG Annotated Anodyne O=C(NCCC1=CCCCC1)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1 ZINC000100998391 HG Annotated Anodyne Cc1cc2c(s1)C(C(=O)Nc1ccc(Cl)cc1)=C(O)N(S)S2(=O)=O ZINC000100999768 HG Annotated Anodyne Cc1ccc(C(=O)CNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000101032953 HG Annotated Anodyne Cc1ccc(C(=O)CNC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C ZINC000101032954 HG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CC1CCC1 ZINC000101035110 HG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CCC1CC1 ZINC000101037814 HG Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000101039436 HG Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1 ZINC000101039439 HG Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C(C)=O)=C(O)C(C)(C)C2=O)c1O ZINC000101058936 HG Annotated Mild CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C(C)=O)=C(O)C(C)(C)C2=O)c1O ZINC000101060837 HG Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1-c1ccccc1 ZINC000101077624 HG Annotated Anodyne CC(C)=CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077794 HG Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CC1CCCC1 ZINC000101077805 HG Annotated Anodyne O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/N=C1/SCC(=O)N1c1ccc(Cl)cc1 ZINC000101085120 HG Annotated Mild O=c1c(Nc2ccc([N+](=O)[O-])cc2O)c(Nc2ccccc2Br)c1=O ZINC000101101174 HG Annotated Bother Cc1cc(N/N=C2/CC[C@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000101159394 HG Annotated Mild Cc1cc(N/N=C2/CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000101159400 HG Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000101179138 HG Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000101179141 HG Annotated Mild NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3C[C@H]4C[C@]45C3=CC(=O)c3ccccc35)cc21 ZINC000101239105 HG Annotated Mild NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3C[C@@H]4C[C@@]45C3=CC(=O)c3ccccc35)cc21 ZINC000101239109 HG Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(=O)O)(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101281339 HG Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@](OCC(=O)O)(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000101281344 HG Annotated Reactive CC(=O)OCCOCn1cnc2c(O)n3cc(-c4ccc5ccccc5c4)nc3nc21 ZINC000101304851 HG Annotated Anodyne O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Br)cc1 ZINC000101368363 HG Annotated Anodyne O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CCOC(=S)Nc1ccc(Br)cc1 ZINC000101368367 HG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CO)C2)[C@]13C(=O)O ZINC000101369343 HG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@H](CO)C2)[C@]13C(=O)O ZINC000101369347 HG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@H](CO)C2)[C@]13C(=O)O ZINC000101369353 HG Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)CC2)nc1 ZINC000101369420 HG Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)nc1 ZINC000101369430 HG Annotated Anodyne Cc1ccc(CNCC2(O)C[C@@H]3CC[C@@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000101369510 HG Annotated Anodyne Cc1ccc(CNCC2(O)C[C@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000101369515 HG Annotated Anodyne C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000101372652 HG Annotated Anodyne CC(=O)N[C@@H](CCN1[C@H]2CC[C@@H]1C[C@H](n1c(C)nc3c1CNCC3)C2)c1ccccc1 ZINC000101391279 HG Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(N)cc1 ZINC000101403120 HG Annotated Anodyne Cc1oncc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000101403153 HG Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccnc1 ZINC000101403168 HG Annotated Anodyne C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 ZINC000101422704 HG Annotated Reactive C[C@H]1OO[C@@H](COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 ZINC000101422708 HG Annotated Reactive CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000101451971 HG Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCC(c1ccccc1)c1ccccc1)c(C)[n+]2[O-] ZINC000101452571 HG Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000101453751 HG Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000101453758 HG Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@@]3(CC(=O)[C@H]56)[C@@H]1O ZINC000101453761 HG Annotated Mild CC(=O)OCCOc1ccc2c(c[n+](C)c3c4cc5c(cc4ccc23)OCO5)c1O ZINC000101474021 HG Annotated Bother CCO/C(O)=C1\C(C)=Nc2nc(SCC(=O)OC)nn2[C@H]1c1cc(F)cc(F)c1 ZINC000101500003 HG Annotated Anodyne CCO/C(O)=C1\C(C)=Nc2nc(SCC(=O)OC)nn2[C@@H]1c1cc(F)cc(F)c1 ZINC000101500004 HG Annotated Anodyne O=C(c1c(NC(=O)C23C[C@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2)N1CCOCC1 ZINC000101500798 HG Annotated Anodyne O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@H](C4)C3)sc2c1CCOC2)N1CCOCC1 ZINC000101500802 HG Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@H]4CC(C[C@@H](C4)C2)O3)sc2c1CCOC2 ZINC000101500806 HG Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC(C[C@H](C4)C2)O3)sc2c1CCOC2 ZINC000101500812 HG Annotated Anodyne CCN(CC)c1nc(N)c2c(=N)n(-c3ccccc3C)c(S)c(C#N)c2c1C#N ZINC000101506609 HG Annotated Mild O=C(NN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O)c1ccncc1 ZINC000101513895 HG Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O)c1ccncc1 ZINC000101513898 HG Annotated Anodyne CCN1CCN([C@@H](c2ccc(OC)cc2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000101514443 HG Annotated Anodyne CC(=O)[C@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@@H]2[C@@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000101561854 HG Annotated Anodyne CC(=O)[C@@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@H]2[C@@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000101561858 HG Annotated Anodyne COCCO[C@@H]1CC[C@@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 ZINC000101638151 HG Annotated Mild O=C1C=C2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3ccnc1c23 ZINC000101652105 HG Annotated Mild CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1C ZINC000101654663 HG Annotated Reactive CO[C@@]12CC[C@H](OC(C)=O)[C@@](C)(CC[C@@H]3/C(=C\C=C\C(C)(C)O)COC(=O)[C@H]31)C2 ZINC000101665907 HG Annotated Anodyne COc1ccc(C)cc1-n1nnnc1SC/C(O)=C(\C#N)c1nc2ccccc2[nH]1 ZINC000101666164 HG Annotated Reactive CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1ccc(OC)c(OC)c1OC ZINC000101670631 HG Annotated Anodyne CCCCCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000101670634 HG Annotated Anodyne NC(=O)c1cnc(N[C@@H]2CC[C@@H](N)CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cn12 ZINC000101677375 HG Annotated Anodyne CC/N=C(\S)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3cccs3)CC2=O)CC1 ZINC000101711826 HG Annotated Mild CCOC(=O)c1c[nH]nc1N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000101714108 HG Annotated Clean COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(O)(c3ccccc3)CC1)=N2 ZINC000101740017 HG Annotated Anodyne COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(O)(c3ccccc3)CC1)=N2 ZINC000101740019 HG Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000101744850 HG Annotated Mild Cc1ccc2nc3c(O)n(CC(=O)NCCCN(C)Cc4ccccc4)ncc-3c2c1 ZINC000101785853 HG Annotated Anodyne COCCn1c(SCC(=O)N2CCC(C)CC2)nc2c3ccccc3nc-2c1O ZINC000101798820 HG Annotated Anodyne CCN(CCCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccccc1 ZINC000101800796 HG Annotated Anodyne COc1ccc([C@@H]2CC(O)=C([C@H]3NCCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000101815858 HG Annotated Mild COc1ccc([C@H]2CC(O)=C([C@H]3NCCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000101815862 HG Annotated Mild COc1ccc([C@@H]2CC(O)=C([C@H]3NCCc4ccccc43)C(=O)[C@H]2n2cncn2)cc1 ZINC000101815866 HG Annotated Mild O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000101825877 HG Annotated Anodyne O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C(O)/C=C/c1c[nH]c2ccccc12 ZINC000101826751 HG Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1)N1CCOCC1 ZINC000101828294 HG Annotated Anodyne C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1-2)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000101834747 HG Annotated Anodyne C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1-2)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000101834751 HG Annotated Anodyne C[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1-2)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 ZINC000101834756 HG Annotated Anodyne C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1-2)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 ZINC000101834763 HG Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]21 ZINC000101855671 HG Annotated Anodyne CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]21 ZINC000101855678 HG Annotated Anodyne COc1ccc(CCNC(=O)c2cnn3c2NC(=C2CC2)C=C3C(F)F)cc1OC ZINC000101870298 HG Annotated Anodyne C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nc(=O)c(CC)c1O ZINC000101941954 HG Annotated Mild O=C(N/N=C/c1ccc(O)c(O)c1)/C(O)=C\C1=NC2(CCCC2)Cc2ccccc21 ZINC000101946814 HG Annotated Reactive O=C(NCc1ccccc1)c1c(-c2ccccc2)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000101958348 HG Annotated Anodyne O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000101961591 HG Annotated Bother O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000101961593 HG Annotated Bother CC1(C)CC(/N=C(/O)NP(=O)(N2CC2(C)C)N2CC2(C)C)CC(C)(C)N1[O] ZINC000101969259 HG Annotated Reactive Cc1ccc(N2C(=O)[C@H](C)S/C2=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000101990736 HG Annotated Mild Cc1ccc(N2C(=O)[C@@H](C)S/C2=N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000101990740 HG Annotated Mild CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccccc4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O ZINC000102027933 HG Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CCC(=O)[C@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000102037826 HG Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(N4CCOCC4)=CC[C@@H]3[C@H](Cc3ccc(N4CCOCC4)cc32)N1C ZINC000102054441 HG Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/C ZINC000102068853 HG Annotated Mild CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000102094999 HG Annotated Anodyne N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@H]1c1ccccc1O ZINC000102130298 HG Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(CCCC2)[C@@H]1c1ccccc1O ZINC000102130302 HG Annotated Reactive COc1cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2c(OC)cccc23)cc(OC)c1OC ZINC000102225263 HG Annotated Anodyne Cc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000102229992 HG Annotated Anodyne C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 ZINC000102259500 HG Annotated Reactive C[C@H]1OO[C@@H](COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 ZINC000102259506 HG Annotated Reactive COCc1c(C(=O)N2C[C@@H]3CC[C@@H]2C3)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000102343169 HG Annotated Anodyne COCc1c(C(=O)N2C[C@H]3CC[C@H]2C3)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000102343176 HG Annotated Anodyne CCOc1ccc(-c2c(C)nn3c(O)c(N4CCOCC4)c(C)nc23)cc1OCC ZINC000102373665 HG Annotated Anodyne COCC/N=C1/Sc2nc3cc4c(cc3cc2CN1C[C@@H]1CCCO1)OCO4 ZINC000102402901 HG Annotated Mild COCC/N=C1/Sc2nc3cc4c(cc3cc2CN1C[C@H]1CCCO1)OCO4 ZINC000102402905 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102430034 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102430041 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102433408 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102433414 HG Annotated Mild CCC/N=c1\c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c(O)oc2ccccc12 ZINC000102474932 HG Annotated Anodyne CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccco2)cc1 ZINC000102497939 HG Annotated Mild CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccco2)cc1 ZINC000102497949 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1Cl ZINC000102521110 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000102521118 HG Annotated Mild CCCOc1cccc([C@@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000102524857 HG Annotated Mild CCCOc1cccc([C@H]2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000102524864 HG Annotated Mild CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(/C#N)c2nc3ccccc3[nH]2)c1C ZINC000102618112 HG Annotated Reactive COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccccc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000102670658 HG Annotated Anodyne C/N=c1\c(NS(=O)(=O)c2ccc(Br)s2)c(O)oc2ccccc12 ZINC000102677085 HG Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O ZINC000102765446 HG Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)Cn1ncc2c3cc(C)ccc3nc-2c1O ZINC000102765452 HG Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@@H]1C(=O)NCc1ccc(Cl)cc1)O2 ZINC000102765497 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1 ZINC000102768716 HG Annotated Reactive CCC(CC)C(=O)/N=c1\c2cnn(-c3ccccc3)c2[nH]c(=O)n1-c1ccccc1 ZINC000102770362 HG Annotated Anodyne N/C(=N/CCc1ccc([125I])cc1)SCCCc1cnc[nH]1 ZINC000102779551 HG Annotated Mild COc1ccc(C(=O)c2c3n(c(=N)c4c(F)c(C#N)c(F)c(F)c24)CCCN3)cc1 ZINC000102826259 HG Annotated Mild O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 ZINC000102904998 HG Annotated Mild O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 ZINC000102905000 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 ZINC000102910446 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 ZINC000102910449 HG Annotated Mild NC(=S)N/N=C1\c2ccccc2CC[C@@H]1CC[C@]1(O)CCc2ccccc2C1=O ZINC000102934243 HG Annotated Mild NC(=S)N/N=C1\c2ccccc2CC[C@H]1CC[C@]1(O)CCc2ccccc2C1=O ZINC000102934245 HG Annotated Mild CO[C@@]12Cc3ccccc3O[C@]1(OC)CC(=O)/C(=C(O)\C=C\c1ccccc1)C2=O ZINC000102942349 HG Annotated Mild O=C(c1ccccc1)c1c(-c2ccccc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1=O ZINC000102957253 HG Annotated Bother O=C(NCCc1n[nH]c2c1C(=O)C=C(Nc1ccccc1)C2=O)OCc1ccccc1 ZINC000102957936 HG Annotated Mild COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2CC[C@@H]1NC2 ZINC000102964195 HG Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CC[C@H]1NC2 ZINC000102964197 HG Annotated Anodyne CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(C#N)c1 ZINC000102966981 HG Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3c(C)nc4cnccn34)C2(C)C)ccc1C#N ZINC000102967026 HG Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(C)O ZINC000102967212 HG Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(C)O ZINC000102967213 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(C)O ZINC000102967215 HG Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@@]1(C)O ZINC000102967216 HG Annotated Anodyne CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1 ZINC000102967874 HG Annotated Clean CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccccc3)N=C2C)cc1 ZINC000102967875 HG Annotated Clean Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(F)cn34)C2(C)C)ccc1C#N ZINC000102968523 HG Annotated Mild Cc1cnc2ncc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)n2c1 ZINC000102970282 HG Annotated Mild CCCC(=O)Nc1c(OS(=O)(=O)c2ccc(C)cc2)c2ccccc2n(C)c1=O ZINC000102974191 HG Annotated Anodyne O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000102978152 HG Annotated Anodyne O=C(O)c1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000102978154 HG Annotated Anodyne CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCN(c2ccccc2F)CC1 ZINC000102988842 HG Annotated Mild C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn(Cc4ccc(C(=O)O)s4)c3n2)CC1 ZINC000102994204 HG Annotated Anodyne CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCN(c2ccccc2)CC1 ZINC000103004974 HG Annotated Mild CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCN(c2ccc(F)cc2)CC1 ZINC000103004979 HG Annotated Mild CCN(CC)c1ccc(/C=N/c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1 ZINC000103061820 HG Annotated Mild C=C1C(=O)[C@]23C[C@@H]1C[C@@H](OC(C)=O)[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@@H]3O ZINC000103085085 HG Annotated Mild CCc1[nH]c2nc(Oc3cnc4cccnc4c3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl ZINC000103085799 HG Annotated Anodyne CCc1[nH]c2nc(Oc3cnc4cccnc4c3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl ZINC000103085805 HG Annotated Anodyne CCc1[nH]c2nc(Oc3cnc4cccnc4c3)nc(N3C[C@H]4[C@H](N)[C@H]4C3)c2c1Cl ZINC000103087231 HG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1OC ZINC000103090017 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1OC ZINC000103090020 HG Annotated Mild CCCOc1cccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000103109908 HG Annotated Mild CCCOc1cccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000103109911 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cc1Cl ZINC000103109915 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cc1Cl ZINC000103109918 HG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@H]2c2ccncc2)cc1 ZINC000103114791 HG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@@H]2c2ccncc2)cc1 ZINC000103114796 HG Annotated Mild COC(=O)c1c(C)nc(C)c2c1C(=O)C(Cl)=C(Nc1ccc(OC)cc1)C2=O ZINC000103127006 HG Annotated Mild CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccccc23)cc1 ZINC000103135390 HG Annotated Anodyne COC(=O)c1ccc2nc3n(C)c4ccc(C(=O)OC)cc4c(NCCCN)c-3c2c1 ZINC000103142078 HG Annotated Bother C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCCC5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144680 HG Annotated Mild CSc1ccc(-c2nc3sc(S(N)(=O)=O)nn3c2-c2ccccc2)cc1 ZINC000103174883 HG Annotated Anodyne O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103175350 HG Annotated Mild O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103175353 HG Annotated Mild CSc1ccc(NC(=O)c2ccc[n+](CC(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000103175912 HG Annotated Mild Cc1cc(C)nc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)n1 ZINC000103176034 HG Annotated Anodyne Cc1cc(C)nc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)n1 ZINC000103176036 HG Annotated Anodyne COCCOc1ccc2c(c1)OC[C@]21C(=O)N(Cc2ccccn2)c2ccccc21 ZINC000103177624 HG Annotated Anodyne COCCOc1ccc2c(c1)OC[C@@]21C(=O)N(Cc2ccccn2)c2ccccc21 ZINC000103177627 HG Annotated Anodyne O=C(N/N=C\Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2c([nH]c3ccccc23)CN1 ZINC000103177992 HG Annotated Reactive O=C(N/N=C\Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2c([nH]c3ccccc23)CN1 ZINC000103177995 HG Annotated Reactive CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c(C)c(C)c(F)c2c1OC(C)=O ZINC000103178128 HG Annotated Anodyne C[C@@H]1CC[C@H]2C(CN3CCOCC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103184967 HG Annotated Reactive C[C@@H]1CC[C@H]2C(CN3CCOCC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103184969 HG Annotated Reactive CCc1nn(C)c(C(=O)NCc2ccc(OCC(F)(F)C(F)F)nc2)c1Cl ZINC000103187164 HG Annotated Anodyne CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 ZINC000103187830 HG Annotated Clean CN(C)c1ccc(/C=C/C2=C(C(=O)O)[C@@H](c3ccc(N(C)C)cc3)NC(=S)N2)cc1 ZINC000103187832 HG Annotated Clean CC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(/C(C)=N/N=C2/NC(=O)CS2)cc1 ZINC000103188204 HG Annotated Mild CCOC(=O)C(=C[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3)C(=O)OCC ZINC000103190909 HG Annotated Reactive CCOC(=O)C(=C[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3)C(=O)OCC ZINC000103190912 HG Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COS(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103190931 HG Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COS(=O)(=O)c3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103190933 HG Annotated Reactive COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2)c1 ZINC000103191248 HG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2)c1 ZINC000103191253 HG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2O)c1 ZINC000103191383 HG Annotated Clean COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2O)c1 ZINC000103191385 HG Annotated Clean COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccc(O)cc2)c1 ZINC000103191388 HG Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccc(O)cc2)c1 ZINC000103191390 HG Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1COc1nc(Cl)ccc1C(F)(F)F ZINC000103193647 HG Annotated Mild CNC(=O)/C(=N/OC)c1ccccc1Oc1ccc(I)cc1 ZINC000103196034 HG Annotated Mild Cc1c2c(nn1CC(=O)Nc1ccccc1Cl)-c1ccccc1S(=O)(=O)N2C ZINC000103196938 HG Annotated Anodyne COc1cc(OC)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 ZINC000103198058 HG Annotated Anodyne COc1cc(OC)n2s/c(=N\C(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)nc2n1 ZINC000103198060 HG Annotated Anodyne O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=S)Nc1ccccc1C(F)(F)F ZINC000103201764 HG Annotated Mild CCOC(=O)c1sc2nc(CCc3cc(OC)c(OC)c(OC)c3)nn2c1C ZINC000103202004 HG Annotated Anodyne Cc1nnsc1C1=NN[C@H]2SC(COc3ccc(Cl)cc3Cl)=NN12 ZINC000103202373 HG Annotated Anodyne Cc1nnsc1C1=NN[C@@H]2SC(COc3ccc(Cl)cc3Cl)=NN12 ZINC000103202376 HG Annotated Anodyne CCOc1c(S(=O)(=O)CC)ccc(C(=O)c2c(C)nc(CC)n2O)c1Cl ZINC000103205335 HG Annotated Anodyne CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103206149 HG Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103206151 HG Annotated Reactive CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103206154 HG Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103206156 HG Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103207474 HG Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103207478 HG Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103207482 HG Annotated Reactive O=C1Nc2ccc(Cl)cc2/C1=N/N1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103207486 HG Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC(F)(F)F)s1)C(C)C ZINC000103207699 HG Annotated Reactive CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(c2ccccc2OC)CN1C ZINC000103208165 HG Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCc2ccccc2)CN1C ZINC000103209434 HG Annotated Anodyne Cc1nc(C)n2nc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)nc2c1Cl ZINC000103211134 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1OC(=O)C[C@]1(I)C(C)(C)O2 ZINC000103212204 HG Annotated Anodyne Fc1ccc([C@@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000103214550 HG Annotated Anodyne CCOP(=O)(OCC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103215394 HG Annotated Reactive CCOP(=O)(OCC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F ZINC000103215397 HG Annotated Reactive CN(C)c1nc(Nc2ccc(C#N)cc2)nc(Oc2cc(=O)n(C)c3ccccc23)n1 ZINC000103215700 HG Annotated Mild COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000103216032 HG Annotated Anodyne COC(=O)c1c(C)nn(-c2ccccc2)c1OCCCN1C(=O)c2ccccc2C1=O ZINC000103217591 HG Annotated Anodyne COC(=O)c1c(C)nn(-c2ccccc2)c1OCCCn1c(C)cc(C)c(C#N)c1=O ZINC000103217599 HG Annotated Mild CCN1CCN(CCCn2nc(-c3ccccc3)cc(Cc3ccco3)c2=O)CC1 ZINC000103217862 HG Annotated Anodyne Cc1ccccc1Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccn2)n1 ZINC000103218614 HG Annotated Reactive O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c2ccccc2o1 ZINC000103219506 HG Annotated Anodyne CN(C)c1ccc([C@H]2SCC(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103219577 HG Annotated Mild CN(C)c1ccc([C@@H]2SCC(=O)N2/N=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000103219579 HG Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(OC)cc2)no1)C(C)C ZINC000103219651 HG Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2OC)no1)SC ZINC000103219652 HG Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccccc2OC)no1)C(C)C ZINC000103219654 HG Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cc(-c2ccc(OC)cc2)no1)SC ZINC000103219657 HG Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(Br)s1)C(C)C ZINC000103220957 HG Annotated Reactive COC(=O)c1cccc2nc3cc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)ccc3nc12 ZINC000103221374 HG Annotated Bother COC(=O)c1cccc2nc3cc(S(=O)(=O)c4ccccc4[N+](=O)[O-])ccc3nc12 ZINC000103221378 HG Annotated Bother COC(=O)c1cccc2nc3c(NC(=O)CCCCl)c([N+](=O)[O-])ccc3nc12 ZINC000103221460 HG Annotated Reactive COc1cc(-c2nnc(COc3cc(=O)oc4ccccc34)[nH]2)cc(OC)c1OC ZINC000103221968 HG Annotated Anodyne CCn1cc(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccc(C)nc21 ZINC000103222709 HG Annotated Reactive CN(C)S(=O)(=O)c1ccc(Nc2nc(Cl)nc3cc4c(cc23)OCO4)cc1 ZINC000103226710 HG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000103229489 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(O)c2)cc1 ZINC000103229494 HG Annotated Mild N#CC(=C\c1ccc(Br)cc1)/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000103229571 HG Annotated Reactive N#C/N=C(\NCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)Nc1ccncc1 ZINC000103230464 HG Annotated Mild O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1cc(Cl)cc(Cl)c1O ZINC000103232040 HG Annotated Reactive O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(Br)cc1 ZINC000103232061 HG Annotated Reactive OC12CC3CC(O)(CC(C1)C3(Cc1nnn[nH]1)c1ccc(-c3ccccc3)cc1)C2 ZINC000103232201 HG Annotated Anodyne CCC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O ZINC000103232781 HG Annotated Anodyne CCNC(=O)O[C@H]1C=C2C(=O)OC[C@]23C=CC2=C(C(C)=C3C1)[C@H](c1ccoc1)OC2=O ZINC000103232785 HG Annotated Anodyne CCC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232796 HG Annotated Anodyne CCC(=O)OC1=CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 ZINC000103232817 HG Annotated Anodyne N#Cc1cccc2c1CCN(c1cnn(-c3ccccc3)c(=O)c1Br)C2 ZINC000103235319 HG Annotated Mild CN1C(=O)CC[C@H]1CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc(C#N)c1 ZINC000103239924 HG Annotated Mild NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2F)cc1 ZINC000103239928 HG Annotated Anodyne CCCn1cc(S(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)cc2)cn1 ZINC000103241073 HG Annotated Anodyne CCCn1cc(S(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3c3cccnc3)cc2)cn1 ZINC000103241077 HG Annotated Anodyne Nc1c(C(=O)N2CCOCC2)sc2nc(-c3nccs3)cc(C(F)(F)F)c12 ZINC000103241928 HG Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3F)n(C3CCOCC3)c2n1 ZINC000103243436 HG Annotated Anodyne Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C)n(C3CCOCC3)c2n1 ZINC000103243441 HG Annotated Anodyne CCc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1 ZINC000103243443 HG Annotated Anodyne CC(C)(Oc1ccc(N(CC2CC2)C(=O)Nc2ccc(C(=O)O)cn2)cc1)C(=O)O ZINC000103243941 HG Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCCC2)CC1 ZINC000103244088 HG Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCCCCC2)CC1 ZINC000103244090 HG Annotated Anodyne CCN1CCN(c2nc(C)nc3c2nc(-c2ccccc2Cl)n3CCOC)CC1 ZINC000103244443 HG Annotated Anodyne CN(C)CCC[C@@](O)(c1ccc(Br)cc1)c1ccc(C#N)cc1CO ZINC000103245812 HG Annotated Mild CN(C)CCC[C@](O)(c1ccc(Br)cc1)c1ccc(C#N)cc1CO ZINC000103245815 HG Annotated Mild COC[C@@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103246904 HG Annotated Anodyne COC[C@@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246913 HG Annotated Anodyne COC[C@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 ZINC000103246916 HG Annotated Anodyne COC[C@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000103246925 HG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(O[C@@H]2CCCO2)nc1C1CC1 ZINC000103246929 HG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(O[C@@H]2CCCO2)nc1C1CC1 ZINC000103246937 HG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1C1CC1 ZINC000103246940 HG Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1C1CC1 ZINC000103246948 HG Annotated Anodyne N#CC1(COc2nc(C3CC3)c(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)s2)CC1 ZINC000103246963 HG Annotated Mild N#CC1(COc2nc(C3CC3)c(C(=O)NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)s2)CC1 ZINC000103246971 HG Annotated Mild Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cccc(C(F)(F)F)c2)C3=O)cn1 ZINC000103247228 HG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CC2(c4ccc(Cl)cc4)CC2)C3=O)cn1 ZINC000103247230 HG Annotated Anodyne O=C(O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1 ZINC000103247936 HG Annotated Anodyne N/N=C(/N)c1ccc2cc(-c3ccc(-c4cc5ccc(/C(N)=N\N)cc5[nH]4)cc3)[nH]c2c1 ZINC000103251453 HG Annotated Mild C[C@]12CCOC[C@@H]1[C@]1(COC(N)=N1)c1cc(-c3cncc(Cl)c3)c(F)cc1O2 ZINC000103253275 HG Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1 ZINC000103254389 HG Annotated Anodyne COC(=O)[C@@H](CCN1[C@H]2CC[C@@H]1C[C@@H](n1nnc3cccnc31)C2)c1ccccc1 ZINC000103259454 HG Annotated Anodyne COc1cc(C(F)(F)F)c2nc(-c3nnc(NCC4OCCO4)o3)cc(C)c2c1 ZINC000103259512 HG Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2cnco2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264334 HG Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](c2ncco2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103264337 HG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(SCCC(=O)N3CCCC3)[nH]c21 ZINC000103264542 HG Annotated Clean CCNC(=O)Nc1nc2cc(-c3cccnc3)c(=O)n(CC3CCOCC3)c2s1 ZINC000103264877 HG Annotated Anodyne CSC[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)on2)[C@@H](CC(C)C)C(=O)N1 ZINC000103265355 HG Annotated Anodyne Cn1ncnc1Cn1ccc(C(F)(F)F)c(Oc2cc(Cl)cc(C#N)c2)c1=O ZINC000103265930 HG Annotated Mild C[C@H]1COC[C@H](C)N1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 ZINC000103266256 HG Annotated Anodyne Cc1ccc(Nc2nc3ccc(C)cn3c(=N)c2S(=O)(=O)c2ccccc2)nc1 ZINC000103268201 HG Annotated Anodyne COc1ncc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)cn1 ZINC000103268799 HG Annotated Anodyne O[C@@H]1[C@@H](OC/C=C/c2ccccc2)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000103268963 HG Annotated Anodyne COC(=O)c1nc(C(=O)OC)c(NC(C)=O)c(-c2ccccc2Br)c1C ZINC000103269659 HG Annotated Anodyne O=c1cc(-n2cc(COc3ccccc3O)nn2)c2cc(Br)ccc2o1 ZINC000103271620 HG Annotated Anodyne Nc1ccc(OCc2cn(-c3cc(=O)oc4ccc(Br)cc34)nn2)cc1 ZINC000103271624 HG Annotated Clean CCOC[C@@H]1COc2cc([C@H](O)[C@@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 ZINC000103271791 HG Annotated Anodyne CCOC[C@@H]1COc2cc([C@@H](O)[C@@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 ZINC000103271795 HG Annotated Anodyne O=C1C(Nc2ccc(I)cc2)=C(Cl)C(=O)c2ncncc21 ZINC000103275865 HG Annotated Mild O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccccc1F ZINC000103276474 HG Annotated Reactive N#Cc1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1NC(=O)c1ccc(Cl)cc1 ZINC000103276859 HG Annotated Mild C[C@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Br)Br ZINC000103277654 HG Annotated Anodyne C[C@@]1(C(=O)Nc2nnc(C(F)(F)F)s2)CC1(Br)Br ZINC000103277656 HG Annotated Anodyne COc1cc(C(=O)N(Cc2ccc(Oc3ccc(C#N)cc3)cc2)C(C)=O)n(C)n1 ZINC000103278798 HG Annotated Mild COc1ccc(OC)c(C2=C[C@H](c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)c1 ZINC000103279103 HG Annotated Anodyne COc1ccc(OC)c(C2=C[C@@H](c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)c1 ZINC000103279105 HG Annotated Anodyne O=C(COC1=C(Br)[C@H](c2ccccc2)OC1=O)NCc1ccccc1 ZINC000103279348 HG Annotated Anodyne O=C(COC1=C(Br)[C@@H](c2ccccc2)OC1=O)NCc1ccccc1 ZINC000103279350 HG Annotated Anodyne CCOP(=O)(OCC)[C@H](O)CCn1cc(Cn2cnc3cc(C)c(C)cc32)nn1 ZINC000103279785 HG Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2cnc3cc(C)c(C)cc32)nn1 ZINC000103279788 HG Annotated Anodyne CCOP(=O)(OCC)[C@H](O)Cn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 ZINC000103279848 HG Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)Cn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 ZINC000103279851 HG Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)C[C@@H](C)N1 ZINC000103280670 HG Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)C[C@H](C)N1 ZINC000103280673 HG Annotated Anodyne C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)C[C@@H](C)N1 ZINC000103280674 HG Annotated Anodyne CC[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CCN1 ZINC000103280678 HG Annotated Anodyne CC[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4c(F)cccc4F)c3c2)CCN1 ZINC000103280680 HG Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2c(Cl)cnn2C)c(C)c1 ZINC000103287007 HG Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2c(Cl)c(C)nn2C)c(C)c1 ZINC000103287009 HG Annotated Anodyne Cc1ccc(C)c(NC(=O)c2cn(CCO)c3c(cc(O)c4ncccc43)c2=O)c1 ZINC000103288362 HG Annotated Bother CCCc1cc(C(=O)N(CCOc2ccc(CCOCC)cc2C)C(C)=O)n(C)n1 ZINC000103288699 HG Annotated Anodyne CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2cc(C(C)C)nn2C)c(C)c1 ZINC000103288701 HG Annotated Anodyne CC1=NN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)c1cc(O)ccc1O ZINC000103289435 HG Annotated Anodyne CC1=NN(c2ccc(Br)cc2)C(=O)[C@H]1CC(=O)c1cc(O)ccc1O ZINC000103289437 HG Annotated Anodyne Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3cccc4c3OCO4)CC2)o1 ZINC000103290135 HG Annotated Anodyne O=C(Cn1c(=O)sc2cc(C(=O)c3ccccc3F)ccc21)Nc1ccccn1 ZINC000103290982 HG Annotated Anodyne C/C(=N\NC(=O)c1sc(N)c(C#N)c1N)c1cc2c(ccc3ccccc32)oc1=O ZINC000103291499 HG Annotated Reactive CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)/N=N/c1ccc(Br)cc1 ZINC000103294140 HG Annotated Reactive CCOCCc1ccc(OCCN(C(C)=O)C(=O)c2cc(C3CC3)nn2C)c(C)c1 ZINC000103294517 HG Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1C(=O)O ZINC000103298530 HG Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1C(=O)O ZINC000103298533 HG Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1CO ZINC000103298569 HG Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1CO ZINC000103298571 HG Annotated Anodyne C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1C=O ZINC000103298580 HG Annotated Anodyne C[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1cc(Cl)sc1C=O ZINC000103298582 HG Annotated Anodyne Cc1ccc(Cn2c(=O)ccn([C@H]3C=C[C@@H](OC(=O)c4ccccc4)C3)c2=O)cc1 ZINC000103300274 HG Annotated Anodyne Cc1ccc(Cn2c(=O)ccn([C@@H]3C=C[C@@H](OC(=O)c4ccccc4)C3)c2=O)cc1 ZINC000103300277 HG Annotated Anodyne Cc1ccc(Cn2c(=O)ccn([C@H]3C=C[C@H](OC(=O)c4ccccc4)C3)c2=O)cc1 ZINC000103300281 HG Annotated Anodyne Cc1ccc(Cn2c(=O)ccn([C@@H]3C=C[C@H](OC(=O)c4ccccc4)C3)c2=O)cc1 ZINC000103300284 HG Annotated Anodyne O=C(O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1)c1ccccc1 ZINC000103300313 HG Annotated Anodyne O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1)c1ccccc1 ZINC000103300316 HG Annotated Anodyne O=C(O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1)c1ccccc1 ZINC000103300318 HG Annotated Anodyne O=C(O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3cc(F)cc(F)c3)c2=O)C1)c1ccccc1 ZINC000103300321 HG Annotated Anodyne O=C1CCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103302853 HG Annotated Mild O=C(NCCc1ccccc1)c1cncc2nnc(-c3ccc(OC(F)F)cc3)n12 ZINC000103303033 HG Annotated Anodyne O=C1CCCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303543 HG Annotated Mild O=C1CCCC2=C1[C@H](c1cc(Cl)c(Cl)cc1CO)C1=C(CCS1(=O)=O)N2 ZINC000103303634 HG Annotated Mild Cc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)cc1Br ZINC000103303637 HG Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303656 HG Annotated Mild O=C1CCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 ZINC000103303693 HG Annotated Mild CC(C)COC(=O)c1ccc2[nH]c(O)c(/C=N/c3ccc(S(N)(=O)=O)cc3)c2c1 ZINC000103315392 HG Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103521779 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103521783 HG Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@H](c1cccc(OC)c1)C1=C(O)c3ccccc3C1=N2 ZINC000103529080 HG Annotated Anodyne CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(OC)c1)C1=C(O)c3ccccc3C1=N2 ZINC000103529087 HG Annotated Anodyne COc1c(O)c(Cc2cnc[c-]2CC=O)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533394 HG Annotated Mild in-vitro biogenic CC1CCC(NC(=O)c2ccc(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)cc2)CC1 ZINC000103533444 HG Annotated Anodyne CC[C@@H](C)N(CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccco1 ZINC000103536028 HG Annotated Anodyne CC[C@H](C)N(CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccco1 ZINC000103536034 HG Annotated Anodyne CCCCN(CCNC(=O)Cn1ncc2c3ccccc3nc-2c1O)Cc1ccco1 ZINC000103536097 HG Annotated Anodyne Cc1ccc2nc3c(O)n(CC(=O)N4CCN(C5CCCCC5)CC4)ncc-3c2c1 ZINC000103536730 HG Annotated Anodyne Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2nncc-2c1O ZINC000103538023 HG Annotated Anodyne C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@@H]1c1cc(Br)ccc1OC ZINC000103538628 HG Annotated Mild C=CCO/C(O)=C1\C(C)=Nc2nnnn2[C@H]1c1cc(Br)ccc1OC ZINC000103538635 HG Annotated Mild CCOC(=O)c1c(O)c2cc(Oc3ccc(N(CC)CC)cc3)cnc2n(O)c1=O ZINC000103548763 HG Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103551256 HG Annotated Mild in-vitro biogenic CCNC[C@@](O)(CCCCCCC[C@@H]1C=CN2[C@@H](CC[C@@H](O)[C@@H]2C)C1)CC(=O)O ZINC000103573273 HG Annotated Anodyne in-vitro biogenic COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NC[C@@H]2CCCO2)cc1 ZINC000103578259 HG Annotated Clean COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NC[C@H]2CCCO2)cc1 ZINC000103578269 HG Annotated Clean O=S(=O)(Cl)c1cc(I)cc(OCc2ccccc2)n1 ZINC000103605350 HG Annotated Unstable O=S(=O)(Cl)c1cc(I)nc(OCc2ccccc2)c1 ZINC000103605645 HG Annotated Unstable Cc1ccccc1-n1c(SCC(=O)NCc2ccccc2)nc2nnc(C)c-2c1N ZINC000103623187 HG Annotated Anodyne Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3cccc(Cl)c3C)c(N)c1-2 ZINC000103623204 HG Annotated Anodyne CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCCC1 ZINC000103623320 HG Annotated Anodyne CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1C)C(=O)N1CCCC1 ZINC000103623323 HG Annotated Anodyne CCc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3nnc(C)c-3c2N)cc1 ZINC000103623517 HG Annotated Anodyne CCCCNC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl ZINC000103623528 HG Annotated Anodyne CCCOc1ccc(Br)cc1[C@@H]1/C(=C(\O)OC)C(C)=Nc2nnnn21 ZINC000103634110 HG Annotated Anodyne CCCOc1ccc(Br)cc1[C@H]1/C(=C(\O)OC)C(C)=Nc2nnnn21 ZINC000103634114 HG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1ccccc1C)C1=C(O)c3ccccc3C1=N2 ZINC000103634214 HG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1ccccc1C)C1=C(O)c3ccccc3C1=N2 ZINC000103634218 HG Annotated Anodyne CCC/N=c1\c(NS(=O)(=O)c2ccc3nc(O)oc3c2)c(O)oc2ccccc12 ZINC000103636986 HG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639819 HG Annotated Anodyne COCCn1c2c(c(O)nc1=O)[C@@H](c1ccccc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639824 HG Annotated Anodyne COc1ccc(N(Cc2nc3nc(C)cc(O)n3n2)C(=O)c2ccccc2F)cc1 ZINC000103643739 HG Annotated Anodyne COc1cc(/N=C(\O)CSc2nc3cc(C)nc-3c(O)n2C)cc(OC)c1OC ZINC000103653990 HG Annotated Mild C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)cc2NC1=O ZINC000103691509 HG Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)[C@@H]1C ZINC000103691513 HG Annotated Anodyne C[C@H]1Sc2ccc(S(=O)(=O)CCC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc2NC1=O ZINC000103691519 HG Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)[C@@H]1C ZINC000103691524 HG Annotated Anodyne COC(=O)c1ccc(CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)o1 ZINC000103693927 HG Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(=O)n2[nH]1 ZINC000103695842 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@H]3N2C)cc1 ZINC000103752537 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@H]3N2C)cc1 ZINC000103752541 HG Annotated Anodyne CC1=C/C(=C2\NNC3=C2[C@@H](c2cccc(O)c2)N(Cc2ccco2)C3=O)C(=O)C(C)=C1 ZINC000103755056 HG Annotated Mild CC1=C/C(=C2\NNC3=C2[C@H](c2cccc(O)c2)N(Cc2ccco2)C3=O)C(=O)C(C)=C1 ZINC000103755061 HG Annotated Mild CCN(CCCNC(=O)Cn1[nH]cc2c3cc(C)ccc3nc-2c1=O)c1ccccc1 ZINC000103815680 HG Annotated Anodyne O=c1nc(SCCN2CCOCC2)n(-c2ccccc2)c(O)c1-c1ccccc1 ZINC000103822835 HG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(O)c2)cc1 ZINC000103864916 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(O)c2)cc1 ZINC000103864920 HG Annotated Mild CN1C(=O)/C(=C(/Nc2ccccc2C(C)(C)C)c2nn[nH]n2)C(=O)c2ccccc21 ZINC000103871787 HG Annotated Mild Cc1cccc(-n2[nH]cc3c(=O)nc(SCC(=O)NCCC4=CCCCC4)nc2-3)c1 ZINC000103881769 HG Annotated Anodyne CCSc1nnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)s1 ZINC000103886200 HG Annotated Anodyne CCc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)cc1 ZINC000103902463 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(O)c(OC)c1 ZINC000103911548 HG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(O)c(OC)c1 ZINC000103911552 HG Annotated Mild Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 ZINC000103916807 HG Annotated Reactive CCCCNC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C[C@@H]1CCCO1 ZINC000103917277 HG Annotated Anodyne CCCCNC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1C[C@H]1CCCO1 ZINC000103917280 HG Annotated Anodyne C/C(=C\c1nsc(Nc2ccc(Cl)c(Cl)c2)n1)NCCN1CCNCC1 ZINC000103948083 HG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]132 ZINC000103950038 HG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H]3O[C@@]132 ZINC000103950041 HG Annotated Anodyne CCCCC(=O)N1CCC[C@H](c2nc3n(Cc4cc(C)ccc4C)[nH]nc-3c(=O)n2)C1 ZINC000103957981 HG Annotated Anodyne CCCCC(=O)N1CCC[C@@H](c2nc3n(Cc4cc(C)ccc4C)[nH]nc-3c(=O)n2)C1 ZINC000103957991 HG Annotated Anodyne Cn1c(=O)[nH]c(=O)c2c1nc(/N=N/c1c(O)[nH]c3ccccc13)n2Cc1ccccc1 ZINC000103960262 HG Annotated Clean CCc1ccccc1-n1c(SCC(=O)Nc2cc(C)on2)nc2nncc-2c1O ZINC000103976356 HG Annotated Anodyne Cc1ccc(Cl)cc1-n1c(SCC(=O)N2CCCC2)nc2nncc-2c1O ZINC000103976711 HG Annotated Anodyne CN(C)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)cc1 ZINC000104006985 HG Annotated Mild COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000104006991 HG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1 ZINC000104006995 HG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 ZINC000104007001 HG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1 ZINC000104007007 HG Annotated Anodyne CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CC)s1 ZINC000104007987 HG Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1F ZINC000104009173 HG Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1F ZINC000104009178 HG Annotated Mild COc1cc([C@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104009230 HG Annotated Mild COc1cc([C@@H]2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000104009235 HG Annotated Mild COc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000104009399 HG Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@H](C(F)(F)F)N3N2)cc1 ZINC000104009403 HG Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000104009410 HG Annotated Anodyne COc1ccc(NC(=O)C2=CC3=N[C@@H](c4ccco4)C[C@@H](C(F)(F)F)N3N2)cc1 ZINC000104009413 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1 ZINC000104010495 HG Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1 ZINC000104010500 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1 ZINC000104010506 HG Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1 ZINC000104010511 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1 ZINC000104010520 HG Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1 ZINC000104010526 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1 ZINC000104010532 HG Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1 ZINC000104010536 HG Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104010726 HG Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@@H](C(F)(F)F)N2N1 ZINC000104010731 HG Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010736 HG Annotated Anodyne O=C(NCc1ccco1)C1=CC2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 ZINC000104010742 HG Annotated Anodyne COC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)N/C=C1\C=CC=CC1=O ZINC000104011500 HG Annotated Reactive COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)N/C=C1\C=CC=CC1=O ZINC000104011505 HG Annotated Reactive C=CCN1C(SCC(=O)Nc2nc3ccccc3s2)=NN/C1=C1/C=CC=CC1=O ZINC000104013203 HG Annotated Mild COc1cccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)c1 ZINC000104013784 HG Annotated Anodyne COc1cccc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)c1 ZINC000104013791 HG Annotated Anodyne COc1cccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)c1 ZINC000104013798 HG Annotated Anodyne COc1cccc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)c1 ZINC000104013804 HG Annotated Anodyne O=C(C1=CC2=N[C@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)N1CCc2ccccc2C1 ZINC000104014437 HG Annotated Anodyne O=C(C1=CC2=N[C@@H](c3ccco3)C[C@H](C(F)(F)F)N2N1)N1CCc2ccccc2C1 ZINC000104014441 HG Annotated Anodyne O=C(C1=CC2=N[C@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)N1CCc2ccccc2C1 ZINC000104014446 HG Annotated Anodyne O=C(C1=CC2=N[C@@H](c3ccco3)C[C@@H](C(F)(F)F)N2N1)N1CCc2ccccc2C1 ZINC000104014451 HG Annotated Anodyne O=C1C=CC(=NNc2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)C=C1 ZINC000104016618 HG Annotated Mild COc1cc(C2=CC(=O)/C(=C3/C=Cc4ccccc4N3)C(=O)N2)cc(OC)c1OC ZINC000104023737 HG Annotated Mild CCOc1ccccc1N1C(SCC(=O)N2CCCC2)=NNC1=C1C=CC(=O)C=C1 ZINC000104024790 HG Annotated Mild CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000104028307 HG Annotated Mild CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000104028311 HG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@H]2c2cccnc2)cc1 ZINC000104028554 HG Annotated Mild CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)[C@@H]2c2cccnc2)cc1 ZINC000104028558 HG Annotated Mild COc1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1OC ZINC000104030278 HG Annotated Mild COc1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2ncccn2)cc1OC ZINC000104030284 HG Annotated Mild O=C(Nc1ccc2c(c1)OCO2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104032757 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104032764 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104032771 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104032777 HG Annotated Anodyne O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 ZINC000104033268 HG Annotated Mild O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccccc1 ZINC000104033274 HG Annotated Mild COCCN1C(SCc2ccc(C(=O)OC)o2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104036955 HG Annotated Anodyne CCOc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000104041558 HG Annotated Anodyne CCOc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2c1c(=O)[nH]c(=O)n2C ZINC000104041562 HG Annotated Anodyne CSc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104041613 HG Annotated Anodyne CSc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104041618 HG Annotated Anodyne CC1=C2C(=NC(=O)CS[C@H]2c2ccc3c(c2)OCO3)N([C@@H]2CCOC(C)(C)C2)N1 ZINC000104045548 HG Annotated Anodyne CC1=C2C(=NC(=O)CS[C@@H]2c2ccc3c(c2)OCO3)N([C@@H]2CCOC(C)(C)C2)N1 ZINC000104045551 HG Annotated Anodyne CC1=C2C(=NC(=O)CS[C@H]2c2ccc3c(c2)OCO3)N([C@H]2CCOC(C)(C)C2)N1 ZINC000104045554 HG Annotated Anodyne CC1=C2C(=NC(=O)CS[C@@H]2c2ccc3c(c2)OCO3)N([C@H]2CCOC(C)(C)C2)N1 ZINC000104045558 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000104079563 HG Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1Cl)C1=C(O)c3ccccc3C1=N2 ZINC000104079569 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000104114106 HG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000104114112 HG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000104114116 HG Annotated Mild COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000104114122 HG Annotated Mild CC[C@@H]1CCCCN1C(=O)CSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 ZINC000104187645 HG Annotated Anodyne CC[C@H]1CCCCN1C(=O)CSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1 ZINC000104187651 HG Annotated Anodyne CCOc1ccc(C2=c3cc(OC)ccc3=NC(c3cccs3)=NN2)cc1OCC ZINC000104233119 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267844 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267850 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267853 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCCN1CCN(C)CC1 ZINC000104267857 HG Annotated Anodyne Cc1ccc(-n2nc(C)c(/C=N/c3ccc(C(=O)N4CCOCC4)cc3)c2O)cc1 ZINC000104695242 HG Annotated Mild Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(C(=O)C(C)C)CC3)=C(O)C2)cc1 ZINC000104697132 HG Annotated Mild C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000104755257 HG Annotated Mild Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000104798577 HG Annotated Bother Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000104798580 HG Annotated Bother C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000010912535 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000105090807 HG Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(O)CCC[C@@H]23)OCO4)cc(OC)c1OC ZINC000105428770 HG Annotated Anodyne CCO[C@H]1[C@H](C)n2c(=O)c3cc4ccccc4cc3c(=O)n2C[C@H]1Br ZINC000105504519 HG Annotated Reactive COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000105518536 HG Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000105518539 HG Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)cc1OC ZINC000105518578 HG Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)cc1OC ZINC000105518581 HG Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1=S ZINC000105524787 HG Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1=S ZINC000105524790 HG Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1=S ZINC000105524793 HG Annotated Mild CCC[C@]1(NC(=O)C(F)(F)F)C[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]21 ZINC000105526753 HG Annotated Anodyne CC1(C)CC(=O)C/C(=N\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C1 ZINC000105860575 HG Annotated Reactive Cc1ccc(CNC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5ccccc5Cl)C(=O)[C@H]24)O3)cc1 ZINC000107369321 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000107369456 HG Annotated Anodyne C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1 ZINC000011422458 HG Annotated Anodyne COc1cc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000110395226 HG Annotated Anodyne COc1cc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000110395229 HG Annotated Anodyne COc1cc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000110395234 HG Annotated Anodyne COc1cc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2c2ccc(Br)cc2)ccc1O ZINC000110395237 HG Annotated Anodyne CCOc1ccc([C@@H]2[C@H](C(C)=O)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000110673833 HG Annotated Anodyne CCOc1ccc([C@H]2[C@H](C(C)=O)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000110673837 HG Annotated Anodyne CCOc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000110673839 HG Annotated Anodyne CCOc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000110673844 HG Annotated Anodyne CCOc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110755970 HG Annotated Anodyne CCOc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110755972 HG Annotated Anodyne CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110755977 HG Annotated Anodyne CCOc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110755980 HG Annotated Anodyne C=CCOc1cccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000110808658 HG Annotated Mild C=CCOc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000110808662 HG Annotated Mild C=CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000110808666 HG Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827031 HG Annotated Mild C=CCOc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827035 HG Annotated Mild C=CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827039 HG Annotated Mild C=CCOc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 ZINC000110827043 HG Annotated Mild C=CCOc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110847181 HG Annotated Mild C=CCOc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000110847186 HG Annotated Mild Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)[C@@H]1CC[C@@H](C2)N1 ZINC000113221228 HG Annotated Anodyne Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)[C@@H]1CC[C@H](C2)N1 ZINC000113221232 HG Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000113409316 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000113409320 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000113409322 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000113409324 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000113409338 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000113409341 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000113410597 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000113410599 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000113410602 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1 ZINC000113410604 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000113410645 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccc(C(=O)NCc3ccncc3)cc2)cc1 ZINC000113410648 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)[C@H]3CC(=O)N(C)C3)cc2)cc1 ZINC000113410894 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)[C@H]3CC(=O)N(C)C3)cc2)cc1 ZINC000113410897 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)cc1 ZINC000113410899 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)[C@@H]3CC(=O)N(C)C3)cc2)cc1 ZINC000113410901 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)[C@@H]3CCC(=O)NC3)cc2)cc1 ZINC000113410934 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)[C@@H]3CCC(=O)NC3)cc2)cc1 ZINC000113410936 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(=O)[C@H]3CCC(=O)NC3)cc2)cc1 ZINC000113410938 HG Annotated Mild CCOc1ccc(C#Cc2ccc(C[C@H](C)NC(=O)[C@H]3CCC(=O)NC3)cc2)cc1 ZINC000113410941 HG Annotated Mild CC#CCN(CC(C)C)c1nccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)n1 ZINC000113412271 HG Annotated Mild CC#CCN(CC(C)C)c1nccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)n1 ZINC000113412274 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCc3csc(C)n3)nc2)cc1 ZINC000113412402 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCc3csc(C)n3)nc2)cc1 ZINC000113412406 HG Annotated Mild COc1cc2ncc3c(c2cc1-c1cn[nH]c1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412901 HG Annotated Anodyne COc1cc2ncc3c(c2cc1-c1ccn[nH]1)n(-c1ccc(C#N)cc1F)c(=O)n3C ZINC000113412903 HG Annotated Anodyne C[C@@H](CNC(=O)c1cn[nH]c1)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000113413870 HG Annotated Anodyne C[C@H](CNC(=O)c1cn[nH]c1)c1ccc(C#Cc2cnc(OC3CCC3)nc2)cc1 ZINC000113413873 HG Annotated Anodyne C[C@@H](Cc1ccc(C#Cc2cnc(NCc3ccncc3)nc2)cc1)NC(=O)C1CC1 ZINC000113414013 HG Annotated Mild C[C@H](Cc1ccc(C#Cc2cnc(NCc3ccncc3)nc2)cc1)NC(=O)C1CC1 ZINC000113414016 HG Annotated Mild CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000113539474 HG Annotated Anodyne NC1=N[C@](c2cccc(NC(=O)c3cc(Br)co3)c2)(C(F)F)COC1 ZINC000113659258 HG Annotated Anodyne NC1=N[C@@](c2cccc(NC(=O)c3cc(Br)co3)c2)(C(F)F)COC1 ZINC000113659260 HG Annotated Anodyne COCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnc4)C3)nc2)c1 ZINC000114005314 HG Annotated Anodyne Cc1ccc([C@H]2C[C@H](NC(=O)c3ccccc3)CN(C(=O)C3(N)CCC3)C2)cc1C ZINC000114340504 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](NC(=O)c3ccccc3)CN(C(=O)C3(N)CCC3)C2)cc1C ZINC000114340506 HG Annotated Anodyne Cc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)CN(C(=O)C3(N)CCC3)C2)cc1C ZINC000114340507 HG Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(F)F)c1 ZINC000114344546 HG Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@@H]2CC2(F)F)c1 ZINC000114344548 HG Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(F)F)c1 ZINC000114344549 HG Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)[C@H]2CC2(F)F)c1 ZINC000114344551 HG Annotated Anodyne CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1 ZINC000114346403 HG Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(C(F)(F)F)cc1 ZINC000114346404 HG Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ncc(C(=O)O)o2)c1 ZINC000114346806 HG Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Nc2ncc(C(=O)O)o2)c1 ZINC000114346808 HG Annotated Anodyne CC(C)Oc1cc(C(N)=O)c2ncnc(N[C@@H](CN(C)C)c3cccc(F)c3)c2c1 ZINC000114347590 HG Annotated Anodyne CC(C)Oc1cc(C(N)=O)c2ncnc(N[C@H](CN(C)C)c3cccc(F)c3)c2c1 ZINC000114347592 HG Annotated Anodyne c1cc(C23CCN(CC2)Cc2cc(N4CCOCC4)ccc23)ccc1N1CCOCC1 ZINC000114348441 HG Annotated Clean CN(C)C[C@@H](Nc1ncnc2c(C(N)=O)cc(OCC3CC3)cc12)c1cccc(F)c1 ZINC000114349080 HG Annotated Anodyne CN(C)C[C@H](Nc1ncnc2c(C(N)=O)cc(OCC3CC3)cc12)c1cccc(F)c1 ZINC000114349082 HG Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccn2C)c1 ZINC000114349488 HG Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2cccn2C)c1 ZINC000114349490 HG Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4n[nH]c5ccc(F)cc45)CC3)OC2=O)cc1 ZINC000114360921 HG Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2s1 ZINC000114397812 HG Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCCc3cccs3)cc2s1 ZINC000114398347 HG Annotated Anodyne O=C1CCN(c2nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c2=O)N1 ZINC000114709551 HG Annotated Anodyne O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2Cc3ccccc3C2)c1=O ZINC000114712095 HG Annotated Anodyne Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(C(=O)N(C)C)CC3)cc12 ZINC000114715510 HG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CCN(C(=O)N(C)C)C3)cc12 ZINC000114765193 HG Annotated Anodyne Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CCN(C(=O)N(C)C)C3)cc12 ZINC000114765195 HG Annotated Anodyne c1cc2[nH]nc(-c3ccc4ncn([C@H]5CCOC5)c4c3)c2c(OC2CCOCC2)n1 ZINC000114771549 HG Annotated Anodyne c1cc2[nH]nc(-c3ccc4ncn([C@@H]5CCOC5)c4c3)c2c(OC2CCOCC2)n1 ZINC000114771553 HG Annotated Anodyne CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCC1 ZINC000114773187 HG Annotated Anodyne Cc1cccc2nc(CNc3ncnc4[nH]cnc34)c(-c3cccc(F)c3)c(=O)n12 ZINC000114790584 HG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114978961 HG Annotated Anodyne O=S(=O)(CC1CC1)NCc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 ZINC000114978963 HG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(S(C)(=O)=O)cc4)c3C2)nc1 ZINC000114999863 HG Annotated Anodyne Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(S(C)(=O)=O)cc4)c3C2)nc1 ZINC000114999865 HG Annotated Anodyne Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2ccc(=O)[nH]n2)cc1 ZINC000011661764 HG Annotated Anodyne Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2ccc(=O)[nH]n2)cc1 ZINC000011661765 HG Annotated Anodyne Cc1nc2ccccn2c1CN(C)C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011663418 HG Annotated Anodyne Cc1nc2ccccn2c1CN(C)C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000011663419 HG Annotated Anodyne Cc1cc2nc(CN(C)Cc3cnc(S(C)(=O)=O)n3CC(C)C)[nH]c2cc1C ZINC000011664589 HG Annotated Anodyne COc1ccc([C@@H]2C[C@H]3CN(C4Cc5ccccc5C4)C(=O)[C@]34CCCN24)cc1O ZINC000011715340 HG Annotated Anodyne CN(C)C1(CNC(=O)[C@@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CCCCC1 ZINC000011770780 HG Annotated Anodyne CN(C)C1(CNC(=O)[C@H]2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CCCCC1 ZINC000011770788 HG Annotated Anodyne COc1cccc(CNC(=O)CC[C@@]2(Cc3ccc(F)cc3)CCC(=O)N2)c1OC ZINC000011788349 HG Annotated Anodyne COc1cccc(CNC(=O)CC[C@]2(Cc3ccc(F)cc3)CCC(=O)N2)c1OC ZINC000011788350 HG Annotated Anodyne Cc1nc(N2CCC(NCCSc3nccn3C)CC2)nc2ccc(F)cc12 ZINC000011789241 HG Annotated Anodyne O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC[C@@H]3COCCO3)CC2)cc1 ZINC000011790277 HG Annotated Anodyne O=C(CCc1ccccc1)Nc1ccc(N2CCC(NC[C@H]3COCCO3)CC2)cc1 ZINC000011790278 HG Annotated Anodyne Cc1ccc(F)cc1S(=O)(=O)NCc1nc(N2CCCC2)c2cccc(C)c2n1 ZINC000011814198 HG Annotated Anodyne COC(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nc1 ZINC000011816744 HG Annotated Anodyne COC(=O)c1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)nc1 ZINC000011816745 HG Annotated Anodyne CSc1ccccc1OCc1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)no1 ZINC000011817399 HG Annotated Anodyne CCN(CC)CC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000011817913 HG Annotated Anodyne Cc1ccn2c(CNCCn3nc(C)cc3C)c(C(=O)N3CCCCCC3)nc2c1 ZINC000011819390 HG Annotated Anodyne CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1cc(F)ccc1F)C2 ZINC000011839312 HG Annotated Anodyne CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)NCc1cc(F)ccc1F)C2 ZINC000011839314 HG Annotated Anodyne CC[C@@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1cc(F)ccc1F)C2 ZINC000011839315 HG Annotated Anodyne CC[C@H](C)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)NCc1cc(F)ccc1F)C2 ZINC000011839317 HG Annotated Anodyne CCn1nc(C)cc1C(=O)NC[C@@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011840250 HG Annotated Anodyne CCn1nc(C)cc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccccc3F)CC2)O1 ZINC000011840252 HG Annotated Anodyne COc1ccccc1/N=C(\O)Nc1ccnn1C1CCN(C(=O)c2ccccn2)CC1 ZINC000011841236 HG Annotated Mild COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCCN2CCCC2=O)cc1 ZINC000011873565 HG Annotated Anodyne COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCCN2CCCC2=O)cc1 ZINC000011873566 HG Annotated Anodyne O=C(CC[C@@H]1CCCN(C(=O)CCCn2cncn2)C1)NCc1ccccc1Cl ZINC000011874024 HG Annotated Anodyne O=C(CC[C@H]1CCCN(C(=O)CCCn2cncn2)C1)NCc1ccccc1Cl ZINC000011874025 HG Annotated Anodyne COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(C)c1C ZINC000011881127 HG Annotated Anodyne COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c(C)c1C ZINC000011881128 HG Annotated Anodyne COc1ccc(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(C)c1C ZINC000011881129 HG Annotated Anodyne COc1ccc(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c(C)c1C ZINC000011881130 HG Annotated Anodyne COc1ccc(F)c(C[C@@]2(CCC(=O)N[C@@H](C)c3nccs3)CCC(=O)N2)c1 ZINC000011910181 HG Annotated Anodyne COc1ccc(F)c(C[C@]2(CCC(=O)N[C@@H](C)c3nccs3)CCC(=O)N2)c1 ZINC000011910182 HG Annotated Anodyne COc1ccc(F)c(C[C@@]2(CCC(=O)N[C@H](C)c3nccs3)CCC(=O)N2)c1 ZINC000011910183 HG Annotated Anodyne COc1ccc(F)c(C[C@]2(CCC(=O)N[C@H](C)c3nccs3)CCC(=O)N2)c1 ZINC000011910184 HG Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1cccnc1)CCO2 ZINC000011912917 HG Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1cccnc1)CCO2 ZINC000011912918 HG Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)c1cc(C)on1)C2 ZINC000011972067 HG Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)c1cc(C)on1)C2 ZINC000011972077 HG Annotated Anodyne CCCCN(C)C(=O)C[C@@]1(c2ccccc2OC)CC(=O)N(C2CCCC2)C1=O ZINC000011972485 HG Annotated Anodyne CCCCN(C)C(=O)C[C@]1(c2ccccc2OC)CC(=O)N(C2CCCC2)C1=O ZINC000011972495 HG Annotated Anodyne COCc1c(C(=O)N2C[C@H]3CC[C@@H]2C3)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000011974927 HG Annotated Anodyne COCc1c(C(=O)N2C[C@@H]3CC[C@H]2C3)cnn1-c1nccc(-c2ccccc2OC)n1 ZINC000011974931 HG Annotated Anodyne COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000011976501 HG Annotated Anodyne COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(Cc1nccs1)CCO2 ZINC000011976507 HG Annotated Anodyne Cc1cnc(C)c(-c2cc(F)cc3c2O[C@H](CNC(=O)Cc2c(C)noc2C)C3)n1 ZINC000011977464 HG Annotated Anodyne Cc1cnc(C)c(-c2cc(F)cc3c2O[C@@H](CNC(=O)Cc2c(C)noc2C)C3)n1 ZINC000011977473 HG Annotated Anodyne CC(C)c1ccc(CN2CCC3(CC[C@@H](CNC(=O)c4ccn(C)n4)O3)CC2)cc1 ZINC000011977922 HG Annotated Anodyne CC(C)c1ccc(CN2CCC3(CC[C@H](CNC(=O)c4ccn(C)n4)O3)CC2)cc1 ZINC000011977930 HG Annotated Anodyne CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccc(Cl)cc1)C2 ZINC000011995382 HG Annotated Anodyne Cc1ccc(C(=O)NCCc2nnc3n2CCN(Cc2cc(C)cc(C)c2)CC3)cc1 ZINC000011996047 HG Annotated Anodyne Cc1nc(C)n(CC(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)n1 ZINC000011996178 HG Annotated Anodyne Cc1nc(C)n(CC(=O)NC[C@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)n1 ZINC000011996179 HG Annotated Anodyne CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1 ZINC000115113015 HG Annotated Anodyne CCC(CC)Oc1ccc2n(n1)c(N)n[n+]2CC(=O)c1cc(OC)cc(C(C)C)c1 ZINC000115446444 HG Annotated Mild Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(Nc3cccc(C#N)c3)c2c1=O ZINC000115624025 HG Annotated Mild CC(C)Nc1nc(-c2ccc(N3CCN(C(C)C)CC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624507 HG Annotated Anodyne CC(C)Nc1nc(-c2ccc(CCN3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624785 HG Annotated Anodyne CC(C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(CCF)c(=O)c12 ZINC000115624843 HG Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(Nc3nccs3)c2c1=O ZINC000115625216 HG Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(OCc3ccccc3)c2c1=O ZINC000115625473 HG Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCc3ccccc3)c2c1=O ZINC000115625710 HG Annotated Anodyne CCOC(=O)c1cc2cc(-c3[nH]c(C(=O)NCc4ccncc4)nc3C)ccc2[nH]1 ZINC000115830995 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccncc5)nn4C)ccc3[nH]2)n1 ZINC000115831326 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5nccs5)nn4C)ccc3[nH]2)n1 ZINC000115831547 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5ccno5)[nH]c4C)ccc3[nH]2)n1 ZINC000115832441 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccoc5)nn4C)ccc3[nH]2)n1 ZINC000115832928 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cncs5)nn4C)ccc3[nH]2)n1 ZINC000115833309 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NC5CCOCC5)[nH]c4C)ccc3[nH]2)n1 ZINC000115833331 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5ccco5)nn4C)ccc3[nH]2)n1 ZINC000115833357 HG Annotated Anodyne CCOC(=O)c1cc2cc(-c3ccnc(C(=O)NCc4ccc(=O)[nH]c4)c3)ccc2[nH]1 ZINC000115833614 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cscn5)nn4C)ccc3[nH]2)n1 ZINC000115833945 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCc5cc(C)on5)nn4C)ccc3[nH]2)n1 ZINC000115834153 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5cc(C)on5)[nH]c4C)ccc3[nH]2)n1 ZINC000115836894 HG Annotated Anodyne Cc1noc(-c2cc3cc(-c4cc(C(=O)NCC5CCOCC5)nn4C)ccc3[nH]2)n1 ZINC000115837346 HG Annotated Anodyne COC[C@H]1CCCN1C(=O)c1ccc2c(-c3cnc4ccc(C#N)cn34)nn(C)c2c1 ZINC000115954043 HG Annotated Mild Cc1nnc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5C(C)C)nc34)cc2)[nH]1 ZINC000116184572 HG Annotated Anodyne O=C1OC[C@H](CC2CC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116184810 HG Annotated Anodyne CC(C)[C@H]1CN(C)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185166 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(N)o4)cc3)c2n1 ZINC000116185220 HG Annotated Anodyne O=C1OC[C@@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185255 HG Annotated Anodyne O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185274 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185277 HG Annotated Anodyne Cc1cc(-c2nc[nH]n2)ccc1-c1cnn2ccc(N3C(=O)OC[C@@H]3C(C)C)nc12 ZINC000116185370 HG Annotated Anodyne O=C1OC[C@H](C2CC2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 ZINC000116185485 HG Annotated Anodyne Cc1cc(-c2cnn3ccc(N4C(=O)OC[C@@H]4C(C)C)nc23)ccc1-c1nc[nH]n1 ZINC000116185834 HG Annotated Anodyne O=C1O[C@H](C(F)(F)F)CN1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185866 HG Annotated Anodyne O=C1O[C@@H](C(F)(F)F)CN1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116185868 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nnc(N)s4)cc3)c2n1 ZINC000116186152 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3F)c2n1 ZINC000116189245 HG Annotated Anodyne O=C1O[C@@H]2CCCC[C@@H]2N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 ZINC000116189864 HG Annotated Anodyne COc1c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)ccc2ccccc12 ZINC000116822065 HG Annotated Anodyne COc1c(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)ccc2ccccc12 ZINC000116822067 HG Annotated Anodyne COc1c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)ccc2ccccc12 ZINC000116822068 HG Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nccc(OC)n3)C[C@@H]2C1 ZINC000116822385 HG Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3nccc(OC)n3)C[C@@H]2C1 ZINC000116822387 HG Annotated Anodyne CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nccc(OC)n3)C[C@H]2C1 ZINC000116822389 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4OC(F)(F)F)C[C@H]3C2)n1 ZINC000116822534 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4OC(F)(F)F)C[C@@H]3C2)n1 ZINC000116822535 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4OC(F)(F)F)C[C@H]3C2)n1 ZINC000116822538 HG Annotated Anodyne COc1cc2ccccc2cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823271 HG Annotated Anodyne COc1cc2ccccc2cc1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116823273 HG Annotated Anodyne COc1cc2ccccc2cc1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116823275 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4C(F)(F)F)C[C@H]3C2)n1 ZINC000116823950 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)ccc4C(F)(F)F)C[C@@H]3C2)n1 ZINC000116823952 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cc(F)ccc4C(F)(F)F)C[C@H]3C2)n1 ZINC000116823954 HG Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116824232 HG Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116824234 HG Annotated Anodyne CCCOc1cccnc1C(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116824236 HG Annotated Anodyne CCOc1cccc(OCC)c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116825007 HG Annotated Anodyne CCOc1cccc(OCC)c1C(=O)N1C[C@H]2CN(c3nc(C)cc(C)n3)C[C@@H]2C1 ZINC000116825009 HG Annotated Anodyne CCOc1cccc(OCC)c1C(=O)N1C[C@@H]2CN(c3nc(C)cc(C)n3)C[C@H]2C1 ZINC000116825011 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(-c5ccccc5)noc4C)C[C@@H]32)n1 ZINC000116825178 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@H]3C2)n1 ZINC000116825244 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4Br)C[C@@H]3C2)n1 ZINC000116825247 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4Br)C[C@H]3C2)n1 ZINC000116825249 HG Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3CN(c4cnc5ccccc5n4)[C@@H]3C2)c1 ZINC000116826189 HG Annotated Anodyne Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CN(c4cnc5ccccc5n4)[C@@H]3C2)c1 ZINC000116826191 HG Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 ZINC000116826287 HG Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 ZINC000116826289 HG Annotated Anodyne COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 ZINC000116826290 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-c4cncnc4)C[C@@H]32)n1 ZINC000116826632 HG Annotated Anodyne CCOc1ccc(OCC)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1 ZINC000116827962 HG Annotated Anodyne CCOc1ccc(OCC)c(C(=O)N2C[C@H]3CN(c4nc(C)cc(C)n4)C[C@@H]3C2)c1 ZINC000116827964 HG Annotated Anodyne CCOc1ccc(OCC)c(C(=O)N2C[C@@H]3CN(c4nc(C)cc(C)n4)C[C@H]3C2)c1 ZINC000116827965 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ncoc4-c4ccccc4F)C[C@@H]32)n1 ZINC000116828680 HG Annotated Anodyne CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000116911572 HG Annotated Anodyne CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000116911574 HG Annotated Anodyne Cc1cccn2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc12 ZINC000117229179 HG Annotated Anodyne Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCOCC3)nn12 ZINC000117241824 HG Annotated Anodyne NC(=O)c1cc(Cl)cc2c1C(=O)N(C1CCN(C3CCC(F)(F)CC3)CC1)C2 ZINC000117342632 HG Annotated Anodyne C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000117363417 HG Annotated Anodyne C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000117363420 HG Annotated Anodyne Cc1cc(OCC(=O)N[C@H](C)c2cnc3[nH]ccc3c2)nc2c1c(C1CC1)nn2C ZINC000117511309 HG Annotated Anodyne Cc1cc(OCC(=O)N[C@@H](C)c2cnc3[nH]ccc3c2)nc2c1c(C1CC1)nn2C ZINC000117511312 HG Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncco4)nn(C)c3n2)cc1 ZINC000117511512 HG Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4ncccn4)nn(C)c3n2)cc1 ZINC000117513352 HG Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnccn4)nn(C)c3n2)cc1 ZINC000117513990 HG Annotated Anodyne Cc1ccc([C@H](C)NC(=O)COc2cc(C)c3c(-c4cnn(C)c4)nn(C)c3n2)cc1 ZINC000117515692 HG Annotated Anodyne CC1(C)c2[nH]nc(Nc3ccnc(C#N)n3)c2CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000117593061 HG Annotated Mild CC(C)(C)c1ccc(Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000117650827 HG Annotated Anodyne CC(C)(C)c1ccc(Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000117650829 HG Annotated Anodyne CO[C@@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 ZINC000117658300 HG Annotated Anodyne CO[C@]1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCNCC1 ZINC000117658301 HG Annotated Anodyne CC1(C)c2nc(-c3ccc(F)cc3)c(Cc3ccc(F)cc3)n2CCN1C(=O)CN ZINC000117938955 HG Annotated Anodyne in-vivo O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)C1CNC1 ZINC000118393355 HG Annotated Anodyne CNC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118396157 HG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)C1CC(O)C1 ZINC000118398197 HG Annotated Anodyne Cn1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)n1 ZINC000118402055 HG Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CCOCC1 ZINC000118402335 HG Annotated Anodyne CC(C)(O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118404707 HG Annotated Anodyne Cn1cc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 ZINC000118532845 HG Annotated Mild Cn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1 ZINC000118540712 HG Annotated Mild CCc1cc(C(F)(F)F)cc(OC)c1C(=O)N[C@H]1COCC[C@@H]1N1CCCC1 ZINC000118612139 HG Annotated Anodyne CCCc1cnc(N2CCC(Oc3ccn(-c4ccc(C#N)cc4)c(=O)c3)CC2)nc1 ZINC000118658729 HG Annotated Anodyne O=C(C1CC1)N1CC(Cc2n[nH]c(=O)n2-c2ccc(-c3ccc4cc[nH]c4c3)cc2)C1 ZINC000118710926 HG Annotated Anodyne Cc1nc(C)c(-c2cc3nc(N4CCCC4)cc(N(C)C4CCOCC4)n3n2)nc1C ZINC000118902497 HG Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@]5(O)[C@H](C)[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C ZINC000118913770 HG Annotated Anodyne C=C1C[C@@H]2[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@@]32OCO[C@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000118917274 HG Annotated Mild C=C1C[C@@H]2[C@H](C[C@@H](O)[C@@]3(C)[C@H]2CC[C@@]32OCO[C@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000118917275 HG Annotated Mild C=C1C[C@@H]2[C@H](C[C@@H](O)[C@@]3(C)[C@H]2CC[C@@]32OCO[C@@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000118917276 HG Annotated Mild CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=O)[C@H](O)C[C@H]3[C@H]12 ZINC000118917926 HG Annotated Anodyne COc1ccc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)c(C)c1C ZINC000012001011 HG Annotated Anodyne COc1ccc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)c(C)c1C ZINC000012001017 HG Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@@H]3NC(=O)c2ccc3c(c2)no[n+]3[O-])c1 ZINC000012004090 HG Annotated Anodyne Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)c2ccc3c(c2)no[n+]3[O-])c1 ZINC000012004098 HG Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)c2ccc[n+]([O-])c2)C3)s1 ZINC000012023919 HG Annotated Anodyne CC(=O)c1ccc(-c2cc(F)cc3c2O[C@@H](CNC(=O)c2ccc[n+]([O-])c2)C3)s1 ZINC000012023926 HG Annotated Anodyne COc1cccc(C(=O)NC[C@@H]2Cc3c(F)ccc(-c4ncccn4)c3O2)c1OC ZINC000012025130 HG Annotated Anodyne COc1cccc(C(=O)NC[C@H]2Cc3c(F)ccc(-c4ncccn4)c3O2)c1OC ZINC000012025135 HG Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)c1cc(C)n(C)n1)C2 ZINC000012025237 HG Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)c1cc(C)n(C)n1)C2 ZINC000012025244 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000012028009 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1C1CC1 ZINC000012028011 HG Annotated Anodyne O=C1CC[C@@H](C(=O)NC[C@@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)N1 ZINC000012029833 HG Annotated Anodyne O=C1CC[C@@H](C(=O)NC[C@H]2Cc3cccc(-c4ccccc4C(F)(F)F)c3O2)N1 ZINC000012029836 HG Annotated Anodyne COc1ccc2cc(CNCCCO)c(N3CCN(c4ccc(F)cc4)CC3)nc2c1 ZINC000012047581 HG Annotated Anodyne O=C1CCCCN1CCC(=O)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 ZINC000012047720 HG Annotated Anodyne O=C1CCCCN1CCC(=O)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 ZINC000012047723 HG Annotated Anodyne CSc1nnc(CNS(=O)(=O)c2ccc(F)cc2F)n1-c1ccccc1C ZINC000012047867 HG Annotated Anodyne CCN(CCO)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012049411 HG Annotated Anodyne COc1cc(CN2CCC[C@@H](CCC(=O)N3CCOCC3)C2)cc(Cl)c1OC ZINC000012052852 HG Annotated Anodyne COc1cc(CN2CCC[C@H](CCC(=O)N3CCOCC3)C2)cc(Cl)c1OC ZINC000012052857 HG Annotated Anodyne CCOC(=O)[C@@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 ZINC000012053745 HG Annotated Anodyne CCOC(=O)[C@]1(Cc2ccc(F)cc2)CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 ZINC000012053747 HG Annotated Anodyne CCn1/c(=N/C(=O)CCS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 ZINC000012063375 HG Annotated Anodyne COc1ccccc1-c1ccnc(-n2ncc(C(=O)NCCc3ccccn3)c2C)n1 ZINC000012078046 HG Annotated Anodyne O=C(NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1cc2ncccn2n1 ZINC000012079337 HG Annotated Anodyne O=C(NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1)c1cc2ncccn2n1 ZINC000012079339 HG Annotated Anodyne CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CCn2ccc(C)n2)CC1 ZINC000012090991 HG Annotated Anodyne O=C(NC[C@@H]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)O1)c1ccccc1F ZINC000012099120 HG Annotated Anodyne O=C(NC[C@H]1CCC2(CCN(C(=O)[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)O1)c1ccccc1F ZINC000012099121 HG Annotated Anodyne COCCN(C)C(=O)c1cnn(-c2ncc3c(n2)-c2ccccc2CCC3)c1C1CC1 ZINC000012130053 HG Annotated Anodyne CN1CCCN(C(=O)[C@@H]2CC23CCN(Cc2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000012190079 HG Annotated Anodyne CN1CCCN(C(=O)[C@H]2CC23CCN(Cc2cccc(C(F)(F)F)c2)CC3)CC1 ZINC000012190080 HG Annotated Anodyne O=C1CCC(CCC(=O)N2CCC[C@@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)=NN1 ZINC000012194643 HG Annotated Anodyne O=C1CCC(CCC(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc35)CC4)C2)=NN1 ZINC000012194653 HG Annotated Anodyne COc1ccccc1[C@@H]1CN(CCNC(=O)c2nc(C)c[nH]2)Cc2ccccc2O1 ZINC000012242599 HG Annotated Anodyne COc1ccccc1[C@H]1CN(CCNC(=O)c2nc(C)c[nH]2)Cc2ccccc2O1 ZINC000012242600 HG Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)CCc1ccccc1Cl)CCO2 ZINC000012244061 HG Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)CCc1ccccc1Cl)CCO2 ZINC000012244062 HG Annotated Anodyne COC(=O)c1ccc(CNC(=O)c2cc(COc3cncc(Cl)c3)on2)cc1 ZINC000012302622 HG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@@H](c1ccccn1)C(F)(F)F ZINC000012304389 HG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@H](c1ccccn1)C(F)(F)F ZINC000012304392 HG Annotated Anodyne CCn1ccnc1CN(C)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012305603 HG Annotated Anodyne CCn1ccnc1CN(C)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012305605 HG Annotated Anodyne CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000012307612 HG Annotated Anodyne CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1ccccc1 ZINC000012307613 HG Annotated Anodyne CCc1ccc(CN(C)C(=O)CCc2nnc(CCc3cccc(OC)c3)o2)nc1 ZINC000012308088 HG Annotated Anodyne COc1ccccc1CCc1nnc(CCC(=O)N[C@@H](C)Cc2cccc(C)n2)o1 ZINC000012313751 HG Annotated Anodyne COc1ccccc1CCc1nnc(CCC(=O)N[C@H](C)Cc2cccc(C)n2)o1 ZINC000012313752 HG Annotated Anodyne CN(CCc1ccccn1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000012319179 HG Annotated Anodyne CN(CCc1ccccn1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000012319181 HG Annotated Anodyne CC[C@@H](COC)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(C)(C)C)c1=O ZINC000012328185 HG Annotated Anodyne CC[C@H](COC)NC(=O)c1cn(C2CCCCC2)cc(C(=O)NC(C)(C)C)c1=O ZINC000012328190 HG Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCO)C1=O ZINC000012358406 HG Annotated Anodyne O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCO)C1=O ZINC000012358407 HG Annotated Anodyne COCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000012358438 HG Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4ccccc4=O)c3)c2cc1OC ZINC000012360836 HG Annotated Anodyne Nc1c(C(=O)c2ccc(CCCN3CCOCC3)cc2)cnn1-c1ccc(F)cc1 ZINC000012365497 HG Annotated Anodyne O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(CCCC3CCCC3)CC2)CC1 ZINC000012387216 HG Annotated Anodyne O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(CCCC3CCCC3)CC2)CC1 ZINC000012387217 HG Annotated Anodyne CN(C)C(=O)N1CCC(C(=O)N2CC[C@@]3(CCCN(CC4CCCCC4)C3)C2)CC1 ZINC000012432644 HG Annotated Anodyne CN(C)C(=O)N1CCC(C(=O)N2CC[C@]3(CCCN(CC4CCCCC4)C3)C2)CC1 ZINC000012432645 HG Annotated Anodyne Cc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1 ZINC000012432984 HG Annotated Anodyne O=C(NCCc1cn2ccccc2n1)c1cc(COc2ccc3ncccc3c2)on1 ZINC000012434033 HG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@@H](c1cccnc1)C(F)(F)F ZINC000012436245 HG Annotated Anodyne O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N[C@H](c1cccnc1)C(F)(F)F ZINC000012436246 HG Annotated Anodyne O=C(C[C@@H]1S/C(=N/N=C\c2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000012438370 HG Annotated Mild CN(Cc1ccccn1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012439819 HG Annotated Anodyne CN(Cc1ccccn1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012439820 HG Annotated Anodyne COc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCN2CCCCC2=O)cc1 ZINC000012442394 HG Annotated Anodyne COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCN2CCCCC2=O)cc1 ZINC000012442396 HG Annotated Anodyne Cc1ccn2c(CN[C@@H](C)CCn3cccn3)c(C(=O)N3CCCCCC3)nc2c1 ZINC000012444486 HG Annotated Anodyne Cc1ccn2c(CN[C@H](C)CCn3cccn3)c(C(=O)N3CCCCCC3)nc2c1 ZINC000012444489 HG Annotated Anodyne COc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@@H]2C(=O)Nc2ccccc2C)cc1 ZINC000012463101 HG Annotated Anodyne COc1ccc([C@H]2c3c(O)n[nH]c3C[C@@](C)(O)[C@H]2C(=O)Nc2ccccc2C)cc1 ZINC000012463102 HG Annotated Anodyne CC(C)(CCOC(=O)c1ccccc1)NS(=O)(=O)OCC(Cl)(Cl)Cl ZINC000012466244 HG Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccccc3)C=C2C1=O ZINC000012466608 HG Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(c3ccccc3)C=C2C1=O ZINC000012466612 HG Annotated Mild CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000012477025 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000012477460 HG Annotated Anodyne COc1ccc(CN2[C@@H](CC(=O)O)c3ccc(C(F)(F)F)cc3S2(=O)=O)cc1 ZINC000012478416 HG Annotated Anodyne COc1ccc(CN2[C@@H](CC(=O)O)c3cc(C(F)(F)F)ccc3S2(=O)=O)cc1 ZINC000012478447 HG Annotated Anodyne COc1cccc(N2[C@@H](CC(=O)O)c3cc(C(F)(F)F)ccc3S2(=O)=O)c1 ZINC000012478462 HG Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2C(=O)N2CCOCC2)CCN1Cc1ccc(Cl)c(Cl)c1 ZINC000012478641 HG Annotated Anodyne C=C1CCN([C@@H](CC(C)C)C(=O)NCc2ccco2)S(=O)(=O)c2ccccc21 ZINC000012478922 HG Annotated Mild CN(C)c1ccc(N2[C@@H](CC(=O)O)c3cc(C(F)(F)F)ccc3S2(=O)=O)cc1 ZINC000012479095 HG Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 ZINC000012479447 HG Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 ZINC000012480192 HG Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000012480296 HG Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(N)=O)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000012482361 HG Annotated Anodyne C#Cc1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCCCCO)C2)cc1 ZINC000012482498 HG Annotated Mild C#Cc1ccc([C@@H]2C=C(C(=O)NC3CC3)O[C@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000012482531 HG Annotated Mild C=CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2cccc(OC)c21 ZINC000012514393 HG Annotated Anodyne CCOC(=O)CC1(NC(=O)[C@@H]2CCC(=O)N(Cc3ccccc3F)C2)CCCCC1 ZINC000012582288 HG Annotated Anodyne CCOC(=O)CC1(NC(=O)[C@H]2CCC(=O)N(Cc3ccccc3F)C2)CCCCC1 ZINC000012582294 HG Annotated Anodyne COc1cc(C)c(CN2CCC(n3nccc3NC(=O)[C@@H]3CCOC3)CC2)cc1C ZINC000012584756 HG Annotated Anodyne COc1cc(C)c(CN2CCC(n3nccc3NC(=O)[C@H]3CCOC3)CC2)cc1C ZINC000012584761 HG Annotated Anodyne O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000012633469 HG Annotated Anodyne O=C(NCCc1nccs1)[C@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012703413 HG Annotated Anodyne O=C(NCCc1nccs1)[C@@H]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000012703418 HG Annotated Anodyne COc1ccc(C(=O)Nc2ccnn2C2CCN(Cc3cn(C)nc3C)CC2)cc1 ZINC000012718270 HG Annotated Anodyne CCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCOC ZINC000012725736 HG Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000012726150 HG Annotated Bother O=C(NCc1cccc(Br)c1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000012726152 HG Annotated Bother COC(=O)C1(C[C@@H]2CC(c3ccncc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000012726566 HG Annotated Anodyne COC(=O)C1(C[C@H]2CC(c3ccncc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000012726567 HG Annotated Anodyne O=C(NCC1CC1)c1onc(CSc2ccc(F)cc2)c1C(=O)NCC1CC1 ZINC000012726634 HG Annotated Anodyne NC(=O)/C(=N/OC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000012729008 HG Annotated Mild Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCC(C)CC4)nc2-3)cc1C ZINC000012732123 HG Annotated Anodyne COC1=CC(=Cc2c(C)[nH]n(-c3cccc(Br)c3)c2=O)C=C(OC)C1=O ZINC000012733541 HG Annotated Mild CO[C@@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccccc1 ZINC000012835459 HG Annotated Anodyne CO[C@H](C(=O)Nc1ccnn1C1CCN(Cc2ccc(CO)o2)CC1)c1ccccc1 ZINC000012835461 HG Annotated Anodyne COc1cccc([C@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)c1 ZINC000012873310 HG Annotated Anodyne COc1cccc([C@@H](C(=O)NCc2ccccc2)N(C(=O)c2csnn2)C2CC2)c1 ZINC000012873318 HG Annotated Anodyne CCOC(=O)[C@](Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1 ZINC000012946769 HG Annotated Anodyne C[C@H](NC(=O)[C@@](C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1 ZINC000012946773 HG Annotated Anodyne C[C@H](NC(=O)[C@](C)(Cc1ccc(O)cn1)NC(=O)c1ccccc1)c1ccccc1 ZINC000012946779 HG Annotated Anodyne COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccn2)C(=O)c2ccccc2C1=O ZINC000012948081 HG Annotated Clean CCOC(=O)Cc1csc(NC(=O)c2nc(C)n(-c3ccc(Cl)cc3)n2)n1 ZINC000013001485 HG Annotated Anodyne CCOC(=O)c1c(C)oc2c1c(/C=N/[C@H]1CCS(=O)(=O)C1)c(O)c1ccccc12 ZINC000013041475 HG Annotated Mild CSCC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000013082639 HG Annotated Mild CSCC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000013082640 HG Annotated Mild CSCC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000013082641 HG Annotated Mild CSCC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000013082642 HG Annotated Mild CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000013108319 HG Annotated Anodyne CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000013108322 HG Annotated Anodyne CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)C1=O ZINC000013108324 HG Annotated Anodyne Cc1cc(SCC(=O)NN/C=C2/C=CC(=O)C(O)=C2)c(C)cc1Br ZINC000013110666 HG Annotated Reactive COc1ccc(C(=O)N/N=C2\C(=O)c3cnn(-c4ccccc4)c3CC2(C)C)cc1 ZINC000013110934 HG Annotated Reactive CC(C)[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000013116493 HG Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2coc3ccccc3c2=O)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013118550 HG Annotated Mild O=C(O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013118560 HG Annotated Anodyne O=C(O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013118572 HG Annotated Anodyne C=CCOC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013118581 HG Annotated Mild C=CCOC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013118588 HG Annotated Mild CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013118747 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)cc1 ZINC000013118748 HG Annotated Anodyne C1=Nc2ccccc2/C1=C/NNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 ZINC000013119200 HG Annotated Anodyne O=C1C=CC(Br)=C/C1=C\C=C1/Nc2ccccc2C(=O)N1CCCO ZINC000013119243 HG Annotated Mild Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)c(C)cc1Br ZINC000013119279 HG Annotated Reactive N#Cc1ccc(OCC(=O)NN/C=C2\S/C(=N/c3ccccc3)N=C2Cl)cc1 ZINC000013119289 HG Annotated Reactive O=C1C(Br)=CC(Br)=C/C1=C\NNc1ccccc1C(=O)O ZINC000013121689 HG Annotated Mild CC1(C)SC(=S)N(N/C=C2\C=CC=CC2=O)[C@@H]1N(O)C(=O)Nc1ccccc1 ZINC000013122679 HG Annotated Mild CC1(C)SC(=S)N(N/C=C2\C=CC=CC2=O)[C@H]1N(O)C(=O)Nc1ccccc1 ZINC000013122680 HG Annotated Mild O=C1C(Br)=CC(Br)=C/C1=C\NNc1ccc(Cl)nn1 ZINC000013123109 HG Annotated Mild COC1=C/C(=C/NNC(=O)CSc2cc(C)c(Br)cc2C)C=CC1=O ZINC000013123193 HG Annotated Reactive COC1=C/C(=C\NNC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)C(=O)C=C1 ZINC000013123372 HG Annotated Reactive COC1=CC=C/C(=C\NNc2cc(-n3nc(C)cc3-c3ccccc3)ncn2)C1=O ZINC000013124163 HG Annotated Mild COC(=O)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)F)C[C@H](C(F)F)N2 ZINC000013124537 HG Annotated Anodyne COC(=O)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)F)C[C@@H](C(F)F)N2 ZINC000013124538 HG Annotated Anodyne COC(=O)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)F)C[C@H](C(F)F)N2 ZINC000013124539 HG Annotated Anodyne COC(=O)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C(F)F)N2 ZINC000013124540 HG Annotated Anodyne CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3ccccc3Cl)CC2)C=C1 ZINC000013125007 HG Annotated Mild O=C1C=CC(Br)=C/C1=C\Nn1c(COc2ccccc2)n[nH]c1=S ZINC000013125599 HG Annotated Mild COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000013125821 HG Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000013125822 HG Annotated Anodyne Cc1ccccc1N1NC(C(=O)c2cccs2)=CC(=C2N=c3ccccc3=N2)C1=N ZINC000013125985 HG Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3ccc(Cl)cc3)CC2)C=C1 ZINC000013130475 HG Annotated Mild Cc1nn(C)c(C)c1Nc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] ZINC000013133326 HG Annotated Bother O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000013135582 HG Annotated Anodyne O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000013135583 HG Annotated Anodyne COc1cc(CCC(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1OC ZINC000013140249 HG Annotated Anodyne COc1cc(CCC(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc(OC)c1OC ZINC000013140252 HG Annotated Anodyne CC(C)OC(=O)[C@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@]23C=C[C@H]1O3 ZINC000013142800 HG Annotated Anodyne CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@]23C=C[C@H]1O3 ZINC000013142801 HG Annotated Anodyne CN1[C@@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccc(Br)cc4)[C@H]3[C@H]1CC2 ZINC000013142937 HG Annotated Reactive COc1ccc(/C=N\N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000013143598 HG Annotated Mild COc1ccc(/C=N\N=C2/S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)c(OC)c1 ZINC000013143600 HG Annotated Mild CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)cc1 ZINC000013147516 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)cc1 ZINC000013147517 HG Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 ZINC000013154237 HG Annotated Mild O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1C[C@H]31 ZINC000013154239 HG Annotated Mild CCOC(=O)[C@@](Cc1ccccc1)(Cc1ccc(O)cn1)NC(=O)c1ccccc1 ZINC000013285401 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000013286705 HG Annotated Anodyne C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)/C=C/SC)CC[C@H]1C)[C@H]2OC(C)=O ZINC000013299786 HG Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@H]1[C@H]2OC(C)=O ZINC000013299788 HG Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H]([C@H](OC(=O)/C=C/SC)CC[C@H]1C)[C@H]2OC(C)=O ZINC000013299790 HG Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)/C=C/SC)[C@H]1[C@H]2OC(C)=O ZINC000013299792 HG Annotated Mild in-man NCCCN(C[C@@H](O)CCN)C(=O)CCCCCCCCCCCCCCCO ZINC000013310423 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@H](OC)c3c(ccc(OC)c3OC)[C@H]1NCC2 ZINC000013311919 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@H](OC)c3c(ccc(OC)c3OC)[C@H]1NCC2 ZINC000013311921 HG Annotated Anodyne COc1c(O)ccc2c1C(=O)c1c(cc(O)c3c1[C@@H](c1ccccc1)OC3=O)C2=O ZINC000013375669 HG Annotated Clean COc1cc(CC2=CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(C)=O)cc2c1OCO2 ZINC000013379066 HG Annotated Anodyne COc1cc(C[C@H]2CN(C(C)=O)/C(=C/c3ccccc3)CN2C(C)=O)cc2c1OCO2 ZINC000013379068 HG Annotated Anodyne O=S(=O)(O)OC[C@@H](O)C#CC#CCCCCCCCC/C=C/Br ZINC000013379571 HG Annotated Mild O=S(=O)(O)OC[C@H](O)C#CC#CCCCCCCCC/C=C/Br ZINC000013379572 HG Annotated Mild CCCC(=O)CCCCCCC[C@@H]1CC(=O)NCCCNCCCCNCCCN1 ZINC000013380071 HG Annotated Anodyne CCOC(=O)c1ccc(OC)c(O)c1Oc1c(OC)ccc2c1C(=O)N(C)CC2 ZINC000013385042 HG Annotated Anodyne CCOC(=O)c1ccc(OC)c(OC)c1Oc1c(OC)ccc2c1C(=O)N(C)CC2 ZINC000013385043 HG Annotated Anodyne C=CC[C@@]12C[C@H](OC)C(=O)C(OC)=C1O[C@H](C)[C@H]2c1cc(OC)c2c(c1)OCO2 ZINC000013396616 HG Annotated Mild COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C ZINC000013397972 HG Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)c1C ZINC000013397978 HG Annotated Anodyne in-man COc1cc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000013397986 HG Annotated Anodyne in-man COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000013397990 HG Annotated Anodyne in-man COc1cc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000013397995 HG Annotated Anodyne in-man COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000013397998 HG Annotated Anodyne in-man CCCc1cc(=O)c2c(OC)c(OC)c3cc(OS(=O)(=O)O)cc(OC)c3c2o1 ZINC000013406183 HG Annotated Bother CC1(C)C=Cc2c(cc(O)c3c(=O)c4c(C[C@@H](O)C(C)(C)O)c(O)ccc4oc23)O1 ZINC000013412008 HG Annotated Bother CC(=O)OC[C@@H](C)[C@H]1CC/C(=C/Cc2cc(OC(C)=O)ccc2OC(C)=O)CO1 ZINC000013414950 HG Annotated Anodyne CC(=O)OC1=C(c2ccc(O)cc2)C(=O)c2oc3cc(O)c(OC(C)=O)cc3c2C1=O ZINC000013416299 HG Annotated Mild CC[C@H](O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000013429550 HG Annotated Anodyne CC[C@H](C)C(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@H](C(C)(C)O)C2 ZINC000013429551 HG Annotated Anodyne CC(=O)O[C@@H]1C(CO)=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O[C@H]12 ZINC000013432899 HG Annotated Mild CC(=O)OCC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CO)O[C@@H]2[C@@H]1O ZINC000013432902 HG Annotated Mild COc1ccc2c(c1)CN(S(C)(=O)=O)N=C2Cc1c(Cl)cncc1Cl ZINC000013436015 HG Annotated Anodyne CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 ZINC000013436019 HG Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12 ZINC000013439865 HG Annotated Anodyne Nc1ncnc2cc(CN3CCN(Cc4cc5ccc(Cl)cc5[nH]4)CC3=O)ccc12 ZINC000013439867 HG Annotated Anodyne O=C(O)Cn1ccc2cc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)C4)ccc21 ZINC000013440613 HG Annotated Anodyne COC(=O)CCC1=C(c2ccccc2)c2cc(CCC(=O)OC)ccc2C(=O)C1=O ZINC000013443982 HG Annotated Mild CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000013446287 HG Annotated Anodyne COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000013462863 HG Annotated Anodyne COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2C)cc2c1OCO2 ZINC000013462877 HG Annotated Anodyne COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc2c1OCO2 ZINC000013462879 HG Annotated Anodyne C=C1C(=O)OC[C@H]1[C@@H](c1cc(OC)c(O)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000013462885 HG Annotated Mild C=C1C(=O)OC[C@H]1[C@H](c1cc(OC)c(O)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000013462887 HG Annotated Mild C=C1C(=O)OC[C@@H]1[C@@H](c1cc(OC)c(O)c(OC)c1)c1cc(OC)c2c(c1)OCO2 ZINC000013462889 HG Annotated Mild C=C1C(=O)OC[C@H]1C(c1cc(OC)c2c(c1)OCO2)c1cc(OC)c2c(c1)OCO2 ZINC000013462894 HG Annotated Mild in-vitro biogenic CC1(C)CC(=O)C(/C=N/CCN2CCN(/C(S)=N/c3ccccc3)CC2)=C(O)C1 ZINC000013471425 HG Annotated Mild COc1cc2c(cc1OC)[C@@H](O)[C@H](N1CCC(c3cccc4c3OCCO4)CC1)C2 ZINC000013471812 HG Annotated Anodyne O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCN(c2cc(Cl)cc3c2OCCO3)CC1 ZINC000013471825 HG Annotated Anodyne CN(C)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 ZINC000013474066 HG Annotated Anodyne O=[N+]([O-])c1ccc(OCc2cn([C@@H](CO)c3ccccc3)nn2)c(Br)c1 ZINC000013479056 HG Annotated Bother COc1ccc2c(c1)[C@@H]1NC(=S)N[C@](C)(O2)[C@H]1C(=O)Nc1ccc(Cl)cc1 ZINC000013483519 HG Annotated Anodyne CCN1C(=O)C(=Cc2ccc(-c3ccsc3C(=O)OC)o2)C(=O)N(CC)C1=S ZINC000013487533 HG Annotated Clean O=C1c2ccccc2CCCN1CCN1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000013488314 HG Annotated Anodyne O=C1c2ccccc2CCCN1CCN1CCC(N2C(=O)Cc3cc(F)ccc32)CC1 ZINC000013488316 HG Annotated Anodyne COc1cccc(OC)c1-c1cccn([C@@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O ZINC000013488469 HG Annotated Anodyne COc1cccc(OC)c1-c1cccn([C@H](CN2CC[C@@H](O)C2)c2ccccc2)c1=O ZINC000013488470 HG Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(CCc1cccc3ccccc13)C2 ZINC000013491485 HG Annotated Anodyne O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(NCCc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000013496413 HG Annotated Bother C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12 ZINC000013507831 HG Annotated Anodyne CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000013520410 HG Annotated Anodyne O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)NC[C@@H]1CCCO1 ZINC000013520930 HG Annotated Anodyne O=C(CNC(=S)N(Cc1ccccc1F)C1CCCCC1)NC[C@H]1CCCO1 ZINC000013520934 HG Annotated Anodyne CO[C@@H]1C(=O)CC[C@](O)(C[S@@](=O)c2ccccc2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C ZINC000013525028 HG Annotated Anodyne CO[C@@H]1C(=O)CC[C@](O)(C[S@](=O)c2ccccc2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C ZINC000013525031 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000013525418 HG Annotated Anodyne in-vitro biogenic COc1ccc(C(=O)O[C@@H]2Cc3ccc(O)c(O)c3O[C@H]2c2ccc(O)c(O)c2)cc1 ZINC000013537310 HG Annotated Clean C[C@H]1CN=C2N1C[C@@H](Cc1ccc(O)cc1)N2CCNC(=O)CCC1CCCCC1 ZINC000013545617 HG Annotated Anodyne C[C@@]12[C@@H](c3ccc(=O)oc3)CC[C@]1(O)[C@@H]1CCC3=C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O ZINC000013545618 HG Annotated Anodyne C/C=C(\C)C(=O)N[C@@H](C)CN1C2=NC[C@H](C(C)C)N2C[C@H]1Cc1ccc(OC)cc1 ZINC000013545667 HG Annotated Anodyne C[C@@H]1CN=C2N1C[C@@H](Cc1ccc(O)cc1)N2CCNC(=O)CCC1CCCCC1 ZINC000013545685 HG Annotated Anodyne C=C1C[C@@H]2[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@@]32OCO[C@@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000013545864 HG Annotated Mild C=C1C[C@@H]2[C@H](C[C@H](O)[C@@]3(C)[C@@H]2CC[C@@]32OCO[C@@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000013545868 HG Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)N(C)OC)=C2 ZINC000013553826 HG Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C(=O)N(C)OC)=C2 ZINC000013553827 HG Annotated Anodyne CCOc1ccccc1C/N=C(\N)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000013557262 HG Annotated Mild CC(=O)NCc1ccc(-c2csc(/N=C(\N)NCc3ccccc3Cl)n2)o1 ZINC000013557265 HG Annotated Mild COc1cc2c3c4c(c(COC(C)=O)c5c3n(c2cc1OC)C(=O)CC5)CNCC4 ZINC000013558725 HG Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000013560025 HG Annotated Bother COc1ccc([C@@H]2CC(O)=C([C@@H]3NCCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000013571555 HG Annotated Mild C#CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000013572121 HG Annotated Mild CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1 ZINC000013580945 HG Annotated Anodyne CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)c2c(c1)OCO2 ZINC000013586114 HG Annotated Reactive CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)c2c(c1)OCO2 ZINC000013586116 HG Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1O ZINC000013586118 HG Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc(Br)c1O ZINC000013586119 HG Annotated Reactive O=C(N[C@H](CC1CCCCC1)C(=O)OCCCS)[C@@H]1COc2ccccc2O1 ZINC000013586954 HG Annotated Mild O=C(OCCCS)[C@H](CC1CCCCC1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000013586955 HG Annotated Mild O=C(OCCCS)[C@@H](CC1CCCCC1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000013586956 HG Annotated Mild O=C(OCCCS)[C@H](CC1CCCCC1)NC(=O)[C@H]1COc2ccccc2O1 ZINC000013586957 HG Annotated Mild CC1=CC(=O)N(Nc2nc(C(F)(F)F)nc3cc(N4CCCCC4)ccc23)C1=O ZINC000013587565 HG Annotated Anodyne Cc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)s1 ZINC000013588754 HG Annotated Anodyne Cc1cc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NN4CCOCC4)cccc2-3)c(C)s1 ZINC000013588756 HG Annotated Anodyne CC(=O)c1ccc(-c2nnc(CCC(=O)N(C)Cc3cnc4ccccn34)o2)s1 ZINC000013595900 HG Annotated Anodyne CCOP(=O)(OCC)OCN1C(=O)c2c([C@@H](C)CC)cccc2S1(=O)=O ZINC000013602819 HG Annotated Anodyne CCOP(=O)(OCC)OCN1C(=O)c2c([C@H](C)CC)cccc2S1(=O)=O ZINC000013602822 HG Annotated Anodyne CN(C)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21 ZINC000013611670 HG Annotated Anodyne CN(C)CCn1ccc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21 ZINC000013611690 HG Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013634811 HG Annotated Mild CCn1c(O)c(/C=N/N=C/c2ccc(OC)cc2)c2cc(C3=NNC(=O)CC3)ccc21 ZINC000013638680 HG Annotated Mild CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C)cc21 ZINC000013641312 HG Annotated Anodyne N=C(NC1CCC(CC2CCC(NC(=N)c3cnccn3)CC2)CC1)c1cnccn1 ZINC000013648230 HG Annotated Anodyne CCCCCN(CCCCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000013648898 HG Annotated Bother NCCCNCc1ccc(-c2cccc(-c3ccc(CNCCCN)cc3)n2)cc1 ZINC000013649270 HG Annotated Anodyne CCNC[C@@H]1CCN(c2c(F)c(C)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000013649773 HG Annotated Anodyne CCNC[C@H]1CCN(c2c(F)c(C)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000013649775 HG Annotated Anodyne N[C@H]1C=C(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1 ZINC000013651585 HG Annotated Anodyne N[C@@H]1C=C(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1 ZINC000013651586 HG Annotated Anodyne NC(=O)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656508 HG Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2ccc(C(F)(F)F)cc2)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013656524 HG Annotated Mild NC(=O)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013656580 HG Annotated Anodyne O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656759 HG Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCCCCO)O1)N1CCOCC1 ZINC000013656772 HG Annotated Anodyne O=C(C1=C[C@@H](C2CCCCC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCOCC1 ZINC000013656783 HG Annotated Anodyne C[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCc2ccc(CO)cc2)C1 ZINC000013656949 HG Annotated Anodyne CC(C)(C)[C@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@@H](OCCCCO)C1 ZINC000013657013 HG Annotated Anodyne C[C@@H]1C=C(C(=O)NCc2nc3ccccc3[nH]2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013657043 HG Annotated Anodyne CCO[C@@H]1OC(C(=O)NC2CC2)=C[C@H](c2ccc(Br)cc2)[C@H]1CCCO ZINC000013657265 HG Annotated Anodyne O=C(NC1CC1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013657273 HG Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2ccc3c(c2)OCO3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013657293 HG Annotated Anodyne CCO[C@H]1OC(C(=O)NC2CC2)=C[C@@H](c2ccc(Br)cc2)[C@@H]1CCCO ZINC000013657331 HG Annotated Anodyne O=C(NC1CC1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCCCCO)O1 ZINC000013657357 HG Annotated Anodyne C=C1CCN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc21 ZINC000013659997 HG Annotated Mild CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660445 HG Annotated Anodyne CCC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660448 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)cc1 ZINC000013660633 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)cc1 ZINC000013660635 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)cc1 ZINC000013660637 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H]3Cn4c(nc5cc(C)c(C)cc54)[C@@H]3N2C)cc1 ZINC000013660639 HG Annotated Anodyne C=CCCN([C@@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000013660982 HG Annotated Mild C=CCCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000013660984 HG Annotated Mild O=C(NC[C@H]1CN(c2ccc(N3CCCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1 ZINC000013673223 HG Annotated Anodyne CC(C)(C)c1cccc2c1O[P@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677703 HG Annotated Anodyne CC(C)(C)c1cccc2c1O[P@@](=O)(COCCn1cnc3c(N)ncnc31)OC2 ZINC000013677705 HG Annotated Anodyne Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)cc1=O ZINC000013679328 HG Annotated Anodyne C[C@H]1CN(C(=O)Nc2cncnc2)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000013679703 HG Annotated Mild COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2CCO ZINC000013682473 HG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000013704220 HG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000013704256 HG Annotated Anodyne O=c1[nH]c2cc3cc(OCCCCc4nnnn4C4CCCCC4)ccc3nc2[nH]1 ZINC000013725737 HG Annotated Anodyne O=C1c2ccccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000013737597 HG Annotated Anodyne O=C1c2ccccc2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000013737602 HG Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccco3)CC2=O)CC1 ZINC000013739672 HG Annotated Mild COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=CC(=O)c3ccccc31)C2=O ZINC000013744355 HG Annotated Mild CCOC(=O)c1c(C)oc2c1c(/C=N/[C@@H]1CCS(=O)(=O)C1)c(O)c1ccccc12 ZINC000013750035 HG Annotated Mild COc1nc(O[C@@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCC2 ZINC000013756062 HG Annotated Anodyne COc1nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)nc2c1CCC2 ZINC000013756064 HG Annotated Anodyne C[S@@](=O)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1 ZINC000013759021 HG Annotated Anodyne C[S@](=O)c1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1 ZINC000013759022 HG Annotated Anodyne CN(C)c1ccc(CCNC(=S)Nc2ccc(Br)cn2)c(F)c1C#N ZINC000013759880 HG Annotated Mild CNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12 ZINC000013761374 HG Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c(NS(C)(=O)=O)cccc21 ZINC000013761405 HG Annotated Anodyne CN(CCc1ccc2c(c1)OCO2)C[C@H]1CCCc2c(NS(C)(=O)=O)cccc21 ZINC000013761406 HG Annotated Anodyne N=C(c1ccc(C(=O)Nc2ccc3c(c2)C[C@@H](CC(=O)O)CC3)cc1)N1CCOCC1 ZINC000013781418 HG Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000013781872 HG Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000013781873 HG Annotated Mild C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000013781874 HG Annotated Mild C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000013781875 HG Annotated Mild O=C(NCC#CCNCc1cccc(-n2cccn2)n1)c1ccc(Cl)c(Cl)c1 ZINC000013782316 HG Annotated Mild CCOc1cccc(C(=O)N2CCC(CNCc3cccc(-n4cccn4)n3)CC2)c1 ZINC000013782331 HG Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(=O)OCC ZINC000013783130 HG Annotated Mild CCOC(=O)OC[C@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(=O)OCC ZINC000013783131 HG Annotated Mild O=C([C@@H]1CCCN1)N1CCC[C@H]1P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000013795550 HG Annotated Anodyne O=C([C@@H]1CCCN1)N1CCC[C@@H]1P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000013795553 HG Annotated Anodyne NC(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000013805551 HG Annotated Bother CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1 ZINC000013813447 HG Annotated Mild CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(CCCCNC(=O)OC(C)(C)C)OC=C2C1=O ZINC000013815494 HG Annotated Mild CCC(=O)O[C@]1(C)C(=O)C=C2C=C(CCCCNC(=O)OC(C)(C)C)OC=C2C1=O ZINC000013815498 HG Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000013815542 HG Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CO1 ZINC000013815546 HG Annotated Mild O=C(O)c1ccc2c(c1)C(=O)N([C@@H](C(=O)O)C(c1ccccc1)c1ccccc1)C2=O ZINC000013816022 HG Annotated Anodyne CCOCCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817159 HG Annotated Mild CCOCN1C2=C(C(=O)Nc3ccc(O)cc3F)C(=O)CCN2c2ccc(F)cc21 ZINC000013817213 HG Annotated Mild CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(S(=O)(=O)c1c(C)noc1C)CC2 ZINC000013817480 HG Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)N[C@H](C(=O)OC)C(C)C)CC2 ZINC000013817492 HG Annotated Anodyne CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)NCCCC(=O)OCC)CC2 ZINC000013817519 HG Annotated Anodyne C=CC1=C2C=C(C3CC3)N(CCCCO)C=C2C(=O)[C@](C)(OC(=O)c2ccco2)C1=O ZINC000013817905 HG Annotated Mild C=CC1=C2C=C(C3CC3)N(CCCCO)C=C2C(=O)[C@@](C)(OC(=O)c2ccco2)C1=O ZINC000013817909 HG Annotated Mild C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@@]2(C)C[C@@H]2C=C(C(=O)O2)[C@@H](OC(C)=O)C1 ZINC000013822104 HG Annotated Mild CCCCOC(=O)CCN1CCC(C(=O)OC)(N(C(=O)CC)c2ccccc2)CC1 ZINC000013822781 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)O[C@H](C)CC)CC1 ZINC000013822783 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)O[C@@H](C)CC)CC1 ZINC000013822785 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCC(C)C)CC1 ZINC000013822787 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC(C)(C)C)CC1 ZINC000013822789 HG Annotated Anodyne CC(C)(C)NC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1 ZINC000013823392 HG Annotated Anodyne C/C=C1\CO[C@@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828940 HG Annotated Anodyne C/C=C1\CO[C@](C(=O)NCCOCCO)(C(F)(F)F)C=C1C=C1CCCCC1 ZINC000013828942 HG Annotated Anodyne C/C=C1\CO[C@@](C(=O)NCCCN2CCCC2=O)(C(F)(F)F)C=C1C=C(C)C ZINC000013828948 HG Annotated Anodyne C/C=C1\CO[C@](C(=O)NCCCN2CCCC2=O)(C(F)(F)F)C=C1C=C(C)C ZINC000013828950 HG Annotated Anodyne CC(=O)O[C@H]1[C@H](n2ccccc2=O)c2cc(Br)ccc2C(=O)C1(C)C ZINC000013832151 HG Annotated Anodyne COC(=O)CC[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2N=C1NCCO ZINC000013860474 HG Annotated Anodyne O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860630 HG Annotated Anodyne O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 ZINC000013860631 HG Annotated Anodyne C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 ZINC000013862640 HG Annotated Anodyne CC(C)Nc1ccc([C@@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000013878844 HG Annotated Bother CC(C)Nc1ccc([C@H](CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000013878845 HG Annotated Bother CC(C)[C@H]1C(=O)N(C2Cc3ccccc3C2)CC2=N[C@@H](C(C)C)[C@](O)(C(F)(F)F)N21 ZINC000013900099 HG Annotated Anodyne CC(C)[C@H]1C(=O)N(C2Cc3ccccc3C2)CC2=N[C@H](C(C)C)[C@](O)(C(F)(F)F)N21 ZINC000013900101 HG Annotated Anodyne CC(C)[C@H]1C(=O)N(C2Cc3ccccc3C2)CC2=N[C@H](C(C)C)[C@@](O)(C(F)(F)F)N21 ZINC000013900103 HG Annotated Anodyne COc1ccc2c(c1OC)C[C@@H](C(C)(C)O)[C@@H]2CC(=O)c1c(O)cc(O)cc1O ZINC000013900191 HG Annotated Anodyne C[C@H]1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1 ZINC000013974335 HG Annotated Anodyne CS(=O)(=O)c1ccc([C@@H](C[C@H]2CCCC2=O)C(=O)Nc2cnccn2)cc1Cl ZINC000013974971 HG Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@@H](O)C2)cc1F ZINC000013975251 HG Annotated Mild CNc1cccc(CCCc2noc(C[C@H](CC(=O)O)c3ccc4c(c3)OCO4)n2)n1 ZINC000013976945 HG Annotated Anodyne C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000013982692 HG Annotated Anodyne N/C(=N\N=C\c1ccccc1Br)N/N=C/c1ccccc1Br ZINC000135797852 HG Annotated Anodyne CCOC(=O)c1cc([C@@H]2CCN(Cc3ccccc3)C2=O)c(/C(O)=C(\[N+]#N)C(C)=O)[nH]1 ZINC000136095323 HG Annotated Mild CCOC(=O)c1cc([C@H]2CCN(Cc3ccccc3)C2=O)c(/C(O)=C(\[N+]#N)C(C)=O)[nH]1 ZINC000136095365 HG Annotated Mild Cc1ccc(Cl)cc1-n1c(SCC(=O)N2CCCC2)nc2nnc(C)c-2c1N ZINC000136309401 HG Annotated Anodyne COC1=CC=C/C(=C\NN(C)c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000136330631 HG Annotated Mild CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)C=C1 ZINC000136409355 HG Annotated Reactive COc1ccc(CC(=O)NC2=CC(=O)/C(=C3\Nc4cc(C)ccc4O3)C=C2)cc1OC ZINC000136537778 HG Annotated Mild COC1=C(OC)C(=O)C2=C(C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c32)C1=O ZINC000136648445 HG Annotated Mild CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000136699096 HG Annotated Anodyne CO[C@H]1C=C(CC/C=C(\C)C[C@@H](O)/C=C(\C)CC[C@@H](O)[C@]2(C)CCC(=O)O2)C(=O)O1 ZINC000137139265 HG Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000137282254 HG Annotated Anodyne CCCCC[C@H](C/C=C/CCC(=O)NC[C@H](OC)[C@@H]1C(=O)C(C)=CC[C@H]1O)OC ZINC000137487491 HG Annotated Mild O=C(NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1)c1ccncc1 ZINC000137628377 HG Annotated Anodyne COc1ccccc1NC(=O)C(=O)N/N=C(/CC(=O)c1cccs1)C(F)(F)F ZINC000137714509 HG Annotated Reactive Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3nnc(C)c-3c2N)cc1Cl ZINC000137852186 HG Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(C)=O)[C@@H]1[C@H]2OC(=O)/C=C\SC ZINC000137853723 HG Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(CO)[C@]12O ZINC000138049197 HG Annotated Anodyne CC(/C=C/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C(=O)O)=C\[C@H](C)CCCC[C@H](C)O ZINC000138069435 HG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1C(=O)C[C@@H]2c1ccc(=O)oc1 ZINC000138119668 HG Annotated Anodyne C=C1[C@H](OC(C)=O)CC[C@H](C)C[C@H](OC(C)=O)C2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](O)[C@@H]2O ZINC000138200200 HG Annotated Mild COc1cc(Nc2ccn3ncc(-c4cccc(C(N)=O)c4)c3n2)cc(OC)c1OC ZINC000138287712 HG Annotated Anodyne Cc1cccc(C(C)C)c1NC(=O)C(=O)CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000138312013 HG Annotated Anodyne C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@H]4CCCO4)[C@@H]3c3ccco3)ccc2O1 ZINC000138333429 HG Annotated Mild Cc1ccccc1-n1c(SCC(=O)N2CCC(C)CC2)nc2nnc(C)c-2c1N ZINC000138390670 HG Annotated Anodyne COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(NC(C)C)nc3n2)cc1CO ZINC000138806970 HG Annotated Anodyne O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000139139041 HG Annotated Bother COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)[C@H]1OC)[C@@]34C ZINC000139492674 HG Annotated Mild C[C@H](O)C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139511280 HG Annotated Mild C[C@@H](O)C#Cc1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000139511397 HG Annotated Mild CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2NC(=O)[C@H](C)N1C(=O)CC[C@H]1C(=O)O ZINC000139613673 HG Annotated Anodyne COc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cc(C)no5)cn34)c(=O)c2c1 ZINC000139668583 HG Annotated Anodyne N#Cc1ccc(N(c2ccc(CC[C@H]3COC(N)=N3)cc2)c2ccc(C#N)cn2)nc1 ZINC000139680809 HG Annotated Mild Cc1ccc(-c2cc(C(=O)NN/C=C3\C=C(Br)C=CC3=O)[nH]n2)cc1C ZINC000139691062 HG Annotated Reactive C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(COC)c1ccccc12 ZINC000139714092 HG Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(=O)CC)c1ccccc12 ZINC000139714251 HG Annotated Mild CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)CCC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000139762329 HG Annotated Anodyne C=C[C@@]1(C)C[C@@H](O)C2=C(C1=O)[C@H](OC(C)=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC ZINC000139815751 HG Annotated Mild C[C@@H](O)CSc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000139845352 HG Annotated Anodyne C[C@@H](O)CSc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000139845524 HG Annotated Anodyne C[C@H](O)CSc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000139845622 HG Annotated Anodyne CC1(C)[C@@H](Cl)[C@H](Cl)C[C@@]2(C)[C@H]1C(=O)C[C@]1(C)O[C@H]([C@H]3CC(=O)NC3=O)C[C@@H]12 ZINC000139893125 HG Annotated Reactive Cc1nc(NC(=O)N2C[C@H](F)C[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000139997766 HG Annotated Anodyne Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O ZINC000014133129 HG Annotated Clean CCCCCCCCC[C@@H]1NC(=N)N2CCCC2=C1C(=O)OCCCCNC(=N)N ZINC000014263426 HG Annotated Mild C=C1COC(=O)[C@@]12C[C@]1(C)[C@H](C)CC[C@@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000014407612 HG Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000014407615 HG Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000014407618 HG Annotated Mild in-man endogenous C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000014407620 HG Annotated Mild in-man endogenous COc1cc2c(cc1OC)[C@@H]1O[C@@H](OC)c3c(ccc(OC)c3OC)[C@@H]1NCC2 ZINC000014417319 HG Annotated Anodyne COc1cc([C@H]2OC[C@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000014435411 HG Annotated Anodyne in-man COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC[C@H]23)cc2c1OCO2 ZINC000014435442 HG Annotated Anodyne COc1ccc(C[C@@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000014435721 HG Annotated Anodyne COc1ccc([C@@H](OC)[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000014435857 HG Annotated Anodyne in-vitro CCO[C@@H](c1ccc(O)c(OC)c1)[C@@H]1CO[C@@H](c2ccc(O)c(OC)c2)[C@@H]1CO ZINC000014435875 HG Annotated Anodyne in-vitro biogenic CS[C@H]1C(=O)N(C)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C ZINC000014443962 HG Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C ZINC000014443964 HG Annotated Anodyne CS[C@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C ZINC000014443965 HG Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C)cc2)(SC)C(=O)N1C ZINC000014443967 HG Annotated Anodyne CCCc1c(C(=O)OC)c(OC)cc2cc3c(c(O)c12)C(=O)[C@@](C)(O)C(=O)C3(C)C ZINC000014453168 HG Annotated Anodyne in-vivo CCCc1c(C(=O)OC)c(OC)cc2cc3c(c(O)c12)C(=O)[C@](C)(O)C(=O)C3(C)C ZINC000014453169 HG Annotated Anodyne in-vivo Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(-c2cccnc2)n1 ZINC000140009027 HG Annotated Anodyne Cc1nc(NC(=O)N2CC[C@@H]3C[C@@]32C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000140025320 HG Annotated Anodyne C[C@@H](CO)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000140048778 HG Annotated Anodyne C[C@@H](CO)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000140048918 HG Annotated Anodyne C[C@H](CO)Sc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000140049061 HG Annotated Anodyne CN1C(=O)Cc2cc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)ccc21 ZINC000140191237 HG Annotated Anodyne CC(C)n1c(=O)oc2cc(NC(=O)[C@@H]3CC[C@H](NC(=O)c4ccon4)CC3)ccc21 ZINC000140392464 HG Annotated Anodyne COCCO[C@H]1CC[C@@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 ZINC000140525833 HG Annotated Anodyne CO[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)CC[C@@]1(C)O ZINC000140550639 HG Annotated Anodyne COC1CCC2(CC1)Cc1cc(F)c(OCC(F)(F)F)cc1[C@]21N=C(N)N(C)O1 ZINC000140713810 HG Annotated Anodyne COC1CCC2(CC1)Cc1cc(F)c(OCC(F)(F)F)cc1[C@@]21N=C(N)N(C)O1 ZINC000140714012 HG Annotated Anodyne COc1cc(CC(=O)[C@@H](C)C2=C[C@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)CC2=O)cc(OC)c1O ZINC000141035153 HG Annotated Mild CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CCc3c(cc4c(c3C)CCO4)[C@@]12C ZINC000141056163 HG Annotated Anodyne COc1cc(CCNC[C@@H]2C(=O)O[C@H]3[C@H]2CC/C(C)=C/CC[C@@]2(C)O[C@@H]32)ccc1O ZINC000141170143 HG Annotated Anodyne COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(F)cc2)CC3)n1 ZINC000141180906 HG Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@H](C)CO)cn1 ZINC000141352693 HG Annotated Anodyne Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)N[C@@H](C)CO)cn1 ZINC000141352838 HG Annotated Anodyne O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000141657903 HG Annotated Bother CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccncc3)c(=O)n(C)c12 ZINC000141678190 HG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc(Cl)c1OC ZINC000141834495 HG Annotated Anodyne C=CC(C)(C)c1[nH]c2c(C/C=C(\C)CO)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000141873150 HG Annotated Mild CNC(=O)COc1cccc([C@@H](C)Nc2cc(-c3ccc4c(c3)OCO4)nc(C)n2)c1 ZINC000141876792 HG Annotated Anodyne CNC(=O)COc1cccc([C@H](C)Nc2cc(-c3ccc4c(c3)OCO4)nc(C)n2)c1 ZINC000141876987 HG Annotated Anodyne COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)[C@@H]3C)n2)cc(OC)c1OC ZINC000141890856 HG Annotated Anodyne CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000141929367 HG Annotated Anodyne C=C[C@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141938101 HG Annotated Anodyne C=C[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141938280 HG Annotated Anodyne CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000141944316 HG Annotated Anodyne Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000141996581 HG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@H](N)CC2 ZINC000142010496 HG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(F)c1)[C@@H](N)CC2 ZINC000142010705 HG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@H](N)CC2 ZINC000142010907 HG Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(F)c1)[C@@H](N)CC2 ZINC000142011099 HG Annotated Anodyne CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1 ZINC000142022240 HG Annotated Anodyne CN[C@H]1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2[C@@H]1Cc1ccccc1 ZINC000142035222 HG Annotated Anodyne CN[C@@H]1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2[C@H]1Cc1ccccc1 ZINC000142035406 HG Annotated Anodyne CN[C@H]1CCc2ccc(CNS(=O)(=O)c3ccn(C)c3)cc2[C@H]1Cc1ccccc1 ZINC000142035629 HG Annotated Anodyne O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3 ZINC000142045203 HG Annotated Anodyne CC(C)(CO)NC(=O)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000142079016 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000142081911 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000142082112 HG Annotated Anodyne Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142082716 HG Annotated Anodyne Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000142082925 HG Annotated Anodyne Cc1cccnc1-c1cc(N2CCC(C(=O)NCC3(O)CCC3)CC2)ncc1Cl ZINC000142109330 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(Cc3ccccc3)nn2)n1 ZINC000142111580 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cn(Cc3ccccc3)nn2)n1 ZINC000142111775 HG Annotated Anodyne C[C@@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1 ZINC000142124873 HG Annotated Anodyne C[C@H](Nc1ncc(F)c(N2CCOC2=O)n1)c1ncc(Oc2ccc(F)cc2)cn1 ZINC000142125119 HG Annotated Anodyne C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc(CN2CCN(C)CC2)cc1 ZINC000142125314 HG Annotated Anodyne COCCn1ncc2c(-c3ccc(C)cn3)cc(C(=O)NCc3cnc(C)cn3)cc21 ZINC000142231550 HG Annotated Anodyne Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NCC(C)(C)O)cn1 ZINC000142621261 HG Annotated Anodyne CCC(=O)N(C)c1cc(C(=O)N[C@H](C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1 ZINC000142629009 HG Annotated Anodyne C=C1C[C@@H](O)[C@@H]2O[C@@]2(C)CC[C@@H]2/C(=C/C=C/C(C)(C)OC)[C@@H](OC)O[C@H](OC)[C@@H]12 ZINC000142730513 HG Annotated Mild O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NC3CCCCC3)ccc1-2 ZINC000142869502 HG Annotated Anodyne CCCc1nn2c(=O)cc(-c3ccc4c(cnn4CC)c3)[nH]c2c1-c1nc(C)no1 ZINC000142910375 HG Annotated Anodyne COc1c(CO)cc(C(C)(C)C)cc1NC(=O)N[C@@H]1Cc2c(F)cccc2[C@@H]1O ZINC000142956115 HG Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CC3CCCCC3)ccc1-2 ZINC000142992898 HG Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3CCCCC3)ccc1-2 ZINC000142993107 HG Annotated Anodyne CCC(C)(C)CNc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143013316 HG Annotated Anodyne CCOC(=O)[C@]1(O)C(c2ccc(OCC=C(C)C)cc2)=C(CC(C)C)C(=O)N1O ZINC000143047856 HG Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCCCC4)s3)nc12 ZINC000143166497 HG Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000143198989 HG Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000143199217 HG Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@H](N)CC2 ZINC000143199425 HG Annotated Anodyne CCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](N)CC2 ZINC000143199660 HG Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1COc1ccc(C(=O)N2CCOCC2)cn1 ZINC000143252314 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1cccc(F)c1 ZINC000143259539 HG Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1cccc(F)c1 ZINC000143259739 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1cccc(F)c1 ZINC000143259948 HG Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1cccc(F)c1 ZINC000143260142 HG Annotated Anodyne CCN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)C[C@@H]1CCOC1 ZINC000143274588 HG Annotated Bother CCN(Cc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12)C[C@H]1CCOC1 ZINC000143274805 HG Annotated Bother CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)cn4)c3)ncc2c1 ZINC000143331993 HG Annotated Anodyne CCOC(=O)[C@@H](C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 ZINC000143359644 HG Annotated Anodyne CCOC(=O)[C@H](C)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 ZINC000143359855 HG Annotated Anodyne NC(=O)c1cc(CCCN2CCCC2=O)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000143362616 HG Annotated Anodyne NC(=O)c1cc(CCCN2CCCC2=O)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000143362799 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc([C@H]3CCCO3)c2[nH]1 ZINC000143371711 HG Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nnn[nH]2)c1 ZINC000143375720 HG Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nnn[nH]2)c1 ZINC000143375943 HG Annotated Anodyne C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000143379234 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc([C@@H]3CCCO3)c2[nH]1 ZINC000143413331 HG Annotated Anodyne CN(C)C(=O)[C@@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 ZINC000143424897 HG Annotated Anodyne CN(C)C(=O)[C@H]1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 ZINC000143425085 HG Annotated Anodyne CC(C)(C)c1ccc2c(=O)n(-c3cccc(-c4c[nH]c(C(N)=O)c4)c3CO)ncc2c1 ZINC000143475697 HG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143484719 HG Annotated Anodyne CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143484945 HG Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143485139 HG Annotated Anodyne CC(=O)N(C)[C@H]1CCN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143485304 HG Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C(F)(F)F)cc21 ZINC000143916038 HG Annotated Anodyne Cc1nc(NC(=O)N2CCC[C@@]2(C)C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 ZINC000143972001 HG Annotated Anodyne Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc4[nH]c(=O)oc4c3)CC2)c1C ZINC000144050558 HG Annotated Anodyne N#Cc1nccc2nc(NC3CC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc12 ZINC000144114928 HG Annotated Anodyne CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000144174366 HG Annotated Clean C=CC[C@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144184307 HG Annotated Anodyne C=CC[C@@H](C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144184506 HG Annotated Anodyne COc1cccc(-c2nc3ccc(N4CCN(C)CC4)nn3c2-c2ccncc2)c1 ZINC000144222284 HG Annotated Anodyne C[C@H]1COCCN1c1nc(-c2cccnc2)nc2nc(-c3cccc(CO)c3)ccc12 ZINC000144244598 HG Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cnc(C)n2C)nc2ccc(C(F)(F)F)cc21 ZINC000144249812 HG Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)nc2ccc(C(F)(F)F)cc21 ZINC000144305271 HG Annotated Anodyne COCCNc1nc2ccncc2nc1N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000144315174 HG Annotated Anodyne O=C(c1ccc(C(F)F)cc1)N1CCN(c2nc3cnccc3nc2NC2CC2)CC1 ZINC000144353843 HG Annotated Anodyne COc1ccc(C(=O)C2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1 ZINC000144377201 HG Annotated Anodyne Fc1ccc(CN2CCN(c3nc4ccncc4nc3NCC(F)F)CC2)c(F)c1 ZINC000144379772 HG Annotated Anodyne COc1ccc(OC2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c(F)c1 ZINC000144389554 HG Annotated Anodyne Cc1nccc2nc(NC3CC3)c(N3CCC(Cn4ccc(F)cc4=O)CC3)nc12 ZINC000144424127 HG Annotated Anodyne CCn1cc(S(=O)(=O)N[C@H](C)c2nc3ccc(C(F)(F)F)cc3n2CC)cn1 ZINC000144449409 HG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2C2CCC2)C3=O)cn1 ZINC000144523832 HG Annotated Anodyne CCn1c([C@@H](C)NS(=O)(=O)c2cn(C)c(C)n2)nc2ccc(C(F)(F)F)cc21 ZINC000144536532 HG Annotated Anodyne CC(C)Nc1nc2cnncc2nc1N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000144543919 HG Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(Br)s3)nc12 ZINC000144596617 HG Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(Br)s3)nc12 ZINC000144597556 HG Annotated Anodyne Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccccc2C(C)(C)C)C3=O)cn1 ZINC000144601002 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3nnc(C)s3)n3nccc3n2)nc1 ZINC000144660080 HG Annotated Anodyne Cc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1 ZINC000144709158 HG Annotated Anodyne OCC1CCN(c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)CC1 ZINC000144788268 HG Annotated Anodyne O=C1CC[C@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1CCCO ZINC000144843914 HG Annotated Anodyne O=C1CC[C@@H](COc2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)N1CCCO ZINC000144844091 HG Annotated Anodyne O=C1CC[C@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1CCCO ZINC000144844287 HG Annotated Anodyne O=C1CC[C@@H](COc2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)N1CCCO ZINC000144844489 HG Annotated Anodyne CNC(=O)COc1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144849560 HG Annotated Anodyne CNC(=O)COc1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144849768 HG Annotated Anodyne CC(=O)N(CCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)CCC(=O)O ZINC000144852887 HG Annotated Anodyne CC(=O)N(CCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)CCC(=O)O ZINC000144853061 HG Annotated Anodyne CNC(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144864090 HG Annotated Anodyne CNC(=O)CCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144864298 HG Annotated Anodyne CN(C)C(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144866390 HG Annotated Anodyne CN(C)C(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144866601 HG Annotated Anodyne NC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144870624 HG Annotated Anodyne NC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144870825 HG Annotated Anodyne CCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144873180 HG Annotated Anodyne CCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144873394 HG Annotated Anodyne CNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144873588 HG Annotated Anodyne CNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144873775 HG Annotated Anodyne CNC(=O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144873965 HG Annotated Anodyne CNC(=O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144874140 HG Annotated Anodyne CC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144878433 HG Annotated Anodyne CC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144878640 HG Annotated Anodyne C[C@@H](O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144902531 HG Annotated Anodyne C[C@H](O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144902732 HG Annotated Anodyne C[C@@H](O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144902932 HG Annotated Anodyne C[C@H](O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144903132 HG Annotated Anodyne O=C(O)CCn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144906691 HG Annotated Anodyne O=C(O)CCn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144906898 HG Annotated Anodyne CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144921382 HG Annotated Anodyne CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144921576 HG Annotated Anodyne Cc1cc(-c2cnn(CC(CO)CO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144926190 HG Annotated Anodyne Cc1cc(-c2cnn(CC(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 ZINC000144926409 HG Annotated Anodyne CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1 ZINC000144931302 HG Annotated Anodyne OCC(CO)c1ncc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)o1 ZINC000144935381 HG Annotated Anodyne OCC(CO)c1ncc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)o1 ZINC000144935584 HG Annotated Anodyne CC(C)(C)c1nc2c(s1)CCc1nc(NC(=O)N3CCC[C@H]3C(N)=O)sc1-2 ZINC000144961832 HG Annotated Anodyne C[C@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)sc2CC3)[C@@H]1C(N)=O ZINC000144980596 HG Annotated Anodyne CC(C)(C)c1nc2c(s1)CCc1nc(NC(=O)N3CC[C@@H]4C[C@@]43C(N)=O)sc1-2 ZINC000144980814 HG Annotated Anodyne C[C@@H]1CCN(C(=O)Nc2nc3c(s2)-c2nc(C(C)(C)C)sc2CC3)[C@@H]1C(N)=O ZINC000144981565 HG Annotated Anodyne C[N+](C)(C)[C@@H](Cc1c[nH]c2c(Cl)cc(I)cc12)C(=O)O ZINC000014513909 HG Annotated Mild CCN1C(=O)N(CCC(C)C)C2(CCN(Cc3ccc(OC)cc3O)CC2)C1=O ZINC000014538576 HG Annotated Clean CCCCC[C@@H](C/C=C/CCC(=O)NC[C@@H](OC)C1=CC[C@@H](O)[C@@H](C)C1=O)OC ZINC000014585897 HG Annotated Mild CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)[C@H]3O ZINC000014586050 HG Annotated Anodyne CC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586058 HG Annotated Anodyne CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586127 HG Annotated Anodyne CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586129 HG Annotated Anodyne CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586130 HG Annotated Anodyne CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c3c(c12)O[C@H](C(C)(C)O)C3 ZINC000014586131 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@@]1(C)O[C@@H]1C ZINC000014589648 HG Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@H](Cc1cc3c(c(C)c1CCO)C(=O)CC3)C2 ZINC000014594728 HG Annotated Anodyne Cc1cc2c(c(C)c1CCO)C(=O)[C@@H](Cc1cc3c(c(C)c1CCO)C(=O)CC3)C2 ZINC000014594729 HG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc1OC ZINC000014611837 HG Annotated Anodyne in-man COc1ccc([C@H](O)[C@@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc1OC ZINC000014611838 HG Annotated Anodyne in-man COc1ccc([C@@H](O)[C@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc1OC ZINC000014611839 HG Annotated Anodyne in-man COc1ccc([C@H](O)[C@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc1OC ZINC000014611840 HG Annotated Anodyne in-man COc1cc(/C=C/C(=O)c2c(O)cc3c(c2OC)OCO3)c(OC)c(OC)c1OC ZINC000014616555 HG Annotated Mild COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@@H](C)[C@H]3O)OCO2 ZINC000014616582 HG Annotated Anodyne Cc1cc2ccc3c(c2c[n+]1[C@@H](Cc1ccc(O)cc1)C(=O)O)O[C@H](C(C)(C)O)C3 ZINC000014636672 HG Annotated Mild COc1cc2c(cc1OC)-c1c(OC)c(OC)c(OC)c3c1[C@H](C2)[N+](C)([O-])CC3 ZINC000014639541 HG Annotated Bother COc1c(O)c2c(c(O)c1C(C)C)C(=O)C[C@H]1[C@](C)(COC(C)=O)CCC[C@]21O ZINC000014647698 HG Annotated Anodyne COc1ccc2c(c1OC)OC[C@H]1c3cc(OC(C)=O)c(OC)c(OC)c3O[C@@H]21 ZINC000014648619 HG Annotated Anodyne COc1cc2c(c3c(CN(C)C)c[nH]c13)[C@]13CN(C)CC[C@@]1(O2)c1ccccc1N3 ZINC000014650463 HG Annotated Anodyne COc1cc2c(c(OC(C)=O)c1OC)-c1cc(OC(C)=O)c(OC(C)=O)cc1CC2 ZINC000014650744 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@H]12 ZINC000014681149 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@H]12 ZINC000014681151 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@H]12 ZINC000014681153 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@H]12 ZINC000014681155 HG Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(O)c1 ZINC000014681157 HG Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(O)c1 ZINC000014681159 HG Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(O)c1 ZINC000014681161 HG Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@H]23)c(O)c1 ZINC000014681163 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(CO)[C@@]12O ZINC000014681210 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(CO)[C@@]12O ZINC000014681211 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(CO)[C@@]12O ZINC000014681213 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(CO)[C@@]12O ZINC000014681215 HG Annotated Anodyne in-man endogenous COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C)c(O)c(C=O)c2O)c(C)c1O ZINC000014681756 HG Annotated Anodyne COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C)c(O)c(C=O)c2O)c(C)c1OC ZINC000014681758 HG Annotated Anodyne C=CCc1cc(OC)c(O[C@@H](CO)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000014686281 HG Annotated Mild CC[C@@H](C)/C=C(C)/C=C/c1cc2c(cn1)=C(OC)[C@@](C)(OC(C)=O)C(=O)C=2Cl ZINC000014693155 HG Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/c1cc2c(cn1)=C(OC)[C@@](C)(OC(C)=O)C(=O)C=2Cl ZINC000014693157 HG Annotated Anodyne C=C[C@@H]1C=CC2(OC3=C(c4ccc(O)cc4)C(=O)C(=O)C(c4ccc(O)cc4)=C3O2)O1 ZINC000014713773 HG Annotated Mild CC(C)=CCC/C(=C/CC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O)CO ZINC000014714646 HG Annotated Anodyne COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(C(=O)O)oc2cc(O)c(O)cc12 ZINC000014725634 HG Annotated Clean COC(=O)c1oc2cc(O)c(O)cc2c1-c1c(C(=O)OC)oc2cc(O)c(O)cc12 ZINC000014725636 HG Annotated Clean COc1cc(OC(C)=O)c(OC)c2c1[C@@H]1COc3cc(OC(C)=O)ccc3[C@@H]1O2 ZINC000014763538 HG Annotated Anodyne COc1cc(O)c(/C=C/C(=O)NC2CCCCC2)c(OC)c1C[C@H](O)C(C)(C)OC ZINC000014767834 HG Annotated Anodyne CC(=O)OC[C@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000014774189 HG Annotated Clean CC(=O)OC[C@@H](C)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000014774192 HG Annotated Clean CO[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000014782126 HG Annotated Anodyne in-man CO[C@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000014782128 HG Annotated Anodyne in-man CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000014782130 HG Annotated Anodyne in-man CO[C@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000014782132 HG Annotated Anodyne in-man C=C1CC/C=C(\C)CC[C@H](/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000014822117 HG Annotated Mild Cc1ccc2c(c1)CN(CC(=O)NCCc1cnn(C)c1)C[C@H](c1ccsc1)O2 ZINC000014878918 HG Annotated Anodyne Cc1ccc2c(c1)CN(CC(=O)NCCc1cnn(C)c1)C[C@@H](c1ccsc1)O2 ZINC000014878919 HG Annotated Anodyne C[C@@]1(C2CCN(C(=O)CC3CCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000014884703 HG Annotated Anodyne C[C@]1(C2CCN(C(=O)CC3CCCC3)CC2)NC(=O)N(Cc2ccsc2)C1=O ZINC000014884705 HG Annotated Anodyne C=C(C)CN1C(=O)N[C@@](CC)(C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O ZINC000014886209 HG Annotated Mild C=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)c3ccc(F)cc3F)CC2)C1=O ZINC000014886211 HG Annotated Mild CC(=O)C[C@@H]1c2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@H]2N1C)OCO4 ZINC000014916853 HG Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000014927135 HG Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000014927137 HG Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000014927139 HG Annotated Anodyne in-man endogenous COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000014927141 HG Annotated Anodyne in-man endogenous COc1cc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927143 HG Annotated Anodyne in-man endogenous COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927145 HG Annotated Anodyne in-man endogenous COc1cc(/C=C\C=C\C=C/C(C)=C/[C@@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927147 HG Annotated Anodyne in-man endogenous COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000014927149 HG Annotated Anodyne in-man endogenous COC(=O)c1ccc(Cl)cc1S(=O)(=O)/N=c1\sc(C(C)(C)C)c(C)n1C ZINC000014944756 HG Annotated Anodyne Cc1c(C(C)C)s/c(=N\S(=O)(=O)c2cc(Br)ccc2C#N)n1C ZINC000014944767 HG Annotated Mild CC(C)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C(F)(F)F ZINC000014944858 HG Annotated Bother Cn1ccc2ccc3c(c4c(c5c6cccc7c6n(c35)C[C@@H](CO)C7)C(=O)NC4=O)c21 ZINC000014945618 HG Annotated Bother Cn1ccc2ccc3c(c4c(c5c6cccc7c6n(c35)C[C@H](CO)C7)C(=O)NC4=O)c21 ZINC000014945619 HG Annotated Bother CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3F)c(N)n2)cc1 ZINC000014945651 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3ccco3)c(N)n2)cc1 ZINC000014945655 HG Annotated Anodyne COc1cccc(-n2ncc3c(N/N=C/c4ccc(CN(C)C)cc4)ncnc32)c1 ZINC000014946191 HG Annotated Mild CC[C@H](O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000014951237 HG Annotated Anodyne CC[C@H](C)C(=O)c1c(O)c2c(c3c([C@@H](O)CC)cc(=O)oc13)O[C@@H](C(C)(C)O)C2 ZINC000014951243 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000014952576 HG Annotated Reactive CC1=C(CCN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)C(C)(C)CCC1 ZINC000014957883 HG Annotated Anodyne CN(C)CCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964419 HG Annotated Anodyne CCCc1ccccc1S(=O)(=O)Nc1ccc(CC)c(OCCN)c1C(=O)O ZINC000014965103 HG Annotated Anodyne O=C(O)CCOc1ccccc1CNC[C@H](O)c1cc(Br)cs1 ZINC000014966966 HG Annotated Anodyne O=C(O)CCOc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 ZINC000014966971 HG Annotated Anodyne COc1ccccc1Nc1nc(NC[C@@H](O)Cc2ccccc2)nc(N2CCCC2)n1 ZINC000014968036 HG Annotated Anodyne COc1ccccc1Nc1nc(NC[C@H](O)Cc2ccccc2)nc(N2CCCC2)n1 ZINC000014968039 HG Annotated Anodyne CCn1nc(C)cc1C(=O)N1CCC[C@@H](N(C)CCc2ccc(OC)c(OC)c2)C1 ZINC000014974080 HG Annotated Anodyne CCn1nc(C)cc1C(=O)N1CCC[C@H](N(C)CCc2ccc(OC)c(OC)c2)C1 ZINC000014974083 HG Annotated Anodyne COc1cc(C[C@@]2(CCC(=O)N3CCc4sccc4C3)CCC(=O)N2)ccc1F ZINC000014985668 HG Annotated Anodyne COc1cc(C[C@]2(CCC(=O)N3CCc4sccc4C3)CCC(=O)N2)ccc1F ZINC000014985671 HG Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(C(=O)Cc1ccccc1Cl)CCO2 ZINC000014992989 HG Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(C(=O)Cc1ccccc1Cl)CCO2 ZINC000014992991 HG Annotated Anodyne CO[C@@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccco1)C2)c1ccccc1 ZINC000014995577 HG Annotated Anodyne CO[C@H](C(=O)NCc1c(C)ncc2c1CCN(C(=O)c1ccco1)C2)c1ccccc1 ZINC000014995579 HG Annotated Anodyne Cc1ccccc1CC(=O)N1CCC2(CC1)C[C@@H]2C(=O)NCCCc1ccncc1 ZINC000014997757 HG Annotated Anodyne Cc1ccccc1CC(=O)N1CCC2(CC1)C[C@H]2C(=O)NCCCc1ccncc1 ZINC000014997760 HG Annotated Anodyne O=C(NC[C@H]1CCCCN1)c1ccnc2[nH]c(-c3ccc(Br)s3)nc12 ZINC000145104735 HG Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2nc(-c3cc(Br)cs3)[nH]c12 ZINC000145233926 HG Annotated Anodyne CC1(C)[C@]2(Br)C=C[C@@](C)(O)[C@]13C[C@H](Br)[C@@](C)(O)C[C@@H]3O2 ZINC000145320749 HG Annotated Reactive Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)cc2N)n1 ZINC000145494617 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)n1 ZINC000145511274 HG Annotated Anodyne Cc1cc(-c2ccc(C(N)=O)c(N)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145515123 HG Annotated Anodyne Cc1cc2c(-n3cnc(-c4cnn(C)c4)c3)cccc2c(-c2ccc(C(N)=O)c(N)c2)n1 ZINC000145589508 HG Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)ccnc34)cn2)cn1 ZINC000145633125 HG Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(N)c5)nccc34)cn2)cn1 ZINC000145646183 HG Annotated Anodyne O=C(O)N1CCN(c2ccc(N3CCN(C4CCOCC4)CC3)cn2)c2ccccc21 ZINC000145917648 HG Annotated Anodyne NC(=O)c1ccc(-c2nccnc2O[C@@H]2C[C@@H](Nc3ccc4ccccc4n3)C2)cn1 ZINC000146036979 HG Annotated Anodyne CN1CCC(Cc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1 ZINC000146149886 HG Annotated Anodyne COC(=O)N1CC(c2nccnc2O[C@@H]2C[C@@H](Nc3nc4ccccc4s3)C2)C1 ZINC000146304922 HG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)c2)ccc1OC1CCOCC1 ZINC000146461646 HG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)cn3)c2)ccc1OC1CCOCC1 ZINC000146494081 HG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnc(CO)cn3)c2)ccc1OC1CCOCC1 ZINC000146507146 HG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3cnn(C4CNC4)c3)c2)ccc1OC1CCOCC1 ZINC000146511948 HG Annotated Anodyne Cn1c(OCC(=O)c2ccc(Br)cc2)nc(-c2ccncc2F)cc1=O ZINC000146534876 HG Annotated Anodyne N#Cc1cc(-c2ccnc(Nc3nccnc3CO)c2)ccc1OC1CCOCC1 ZINC000146541324 HG Annotated Anodyne Cc1cccnc1-c1cc(N2[C@H]3CC[C@@H]2CN(C(=O)CC(C)(C)O)C3)ncc1Cl ZINC000146753283 HG Annotated Anodyne c1cc2[nH]nc(-c3ccc4c(c3)ncn4[C@H]3CCOC3)c2c(OC2CCOCC2)n1 ZINC000146790984 HG Annotated Anodyne c1cc2[nH]nc(-c3ccc4c(c3)ncn4[C@@H]3CCOC3)c2c(OC2CCOCC2)n1 ZINC000146791183 HG Annotated Anodyne NC(=O)c1ccc(-c2nccnc2O[C@@H]2C[C@@H](Nc3nc4ccccc4s3)C2)cn1 ZINC000146911128 HG Annotated Anodyne Cc1ncc2c(-c3ncc4c(n3)NC(=O)C4(C)C)nn(Cc3ccccc3F)c2n1 ZINC000146967427 HG Annotated Anodyne c1ccc2sc(N[C@@H]3C[C@@H](Oc4nccnc4N4CCn5cncc5C4)C3)nc2c1 ZINC000147027757 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4C(F)(F)F)C[C@H]3C2)n1 ZINC000147051637 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc(F)cc4C(F)(F)F)C[C@@H]3C2)n1 ZINC000147051830 HG Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc(F)cc4C(F)(F)F)C[C@H]3C2)n1 ZINC000147052010 HG Annotated Anodyne CNC(=O)[C@]1(O)C(=O)c2c([nH]c3ccc(Cl)cc23)-c2c(OC)c3ccccc3n21 ZINC000147243387 HG Annotated Anodyne CNC(=O)[C@@]1(O)C(=O)n2c(c(OC)c3ccccc32)-c2[nH]c3ccc(Cl)cc3c21 ZINC000147254202 HG Annotated Anodyne CC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)OC/C=C/CCS ZINC000147350526 HG Annotated Mild COC(=O)Nc1ccccc1C(=O)N1CCCC[C@H]1c1cc2[nH]c(C)c(C)c(=O)n2n1 ZINC000147352408 HG Annotated Anodyne O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(C#CCCO)ccn23)c1 ZINC000147368532 HG Annotated Mild CC(C)[C@@H]1C[C@@H]1c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO ZINC000147373249 HG Annotated Bother CC(C)[C@H]1C[C@@H]1c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO ZINC000147373429 HG Annotated Bother CC(C)[C@@H]1C[C@H]1c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO ZINC000147373583 HG Annotated Bother CC(C)[C@H]1C[C@H]1c1sc(-c2nccs2)nc1C(=O)NCCCCC(=O)NO ZINC000147373737 HG Annotated Bother COc1ccc(F)cc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147448144 HG Annotated Anodyne CC(C)(CO)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1 ZINC000147477330 HG Annotated Anodyne COc1cc(S(=O)(=O)c2ccc(C(C)(C)O)cc2)cc2c3c(oc12)CCNC3 ZINC000147512116 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cccc([C@@H]3CCOC3)c2)cc2c3c(oc12)CCNC3 ZINC000147512345 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cccc([C@H]3CCOC3)c2)cc2c3c(oc12)CCNC3 ZINC000147512538 HG Annotated Anodyne Cn1ncc2cc(S(=O)(=O)c3cc(Cl)c4oc5c(c4c3)CNCC5)ccc21 ZINC000147522863 HG Annotated Anodyne COc1cc(F)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147533677 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cccc(C(C)(C)O)c2)cc2c3c(oc12)CCNC3 ZINC000147536949 HG Annotated Anodyne COc1cc(S(=O)(=O)c2ccc([C@@H]3CCOC3)cc2)cc2c3c(oc12)CCNC3 ZINC000147580761 HG Annotated Anodyne COc1cc(S(=O)(=O)c2ccc([C@H]3CCOC3)cc2)cc2c3c(oc12)CCNC3 ZINC000147580930 HG Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2cncc3ccccc23)C1 ZINC000147595635 HG Annotated Anodyne CC(C)(O)COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3 ZINC000147601535 HG Annotated Anodyne C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2cc(CNCC(F)(F)F)c(F)cc2F)CO1 ZINC000147753046 HG Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147814176 HG Annotated Anodyne COc1cc(-c2cc(OC[C@H]3CNC(=O)C3)c3cccnc3c2)cc(OC)c1OC ZINC000147817215 HG Annotated Anodyne Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cnc21 ZINC000147820117 HG Annotated Anodyne C[C@@H](Oc1cc(-c2ccc3c(=O)n(C)cnc3c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147827538 HG Annotated Anodyne CCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCCO ZINC000147835744 HG Annotated Anodyne NC(=O)c1cccnc1COc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12 ZINC000147851990 HG Annotated Anodyne C[C@@H](Oc1cc(-c2ccc3c(c2)CCNC3=O)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000147852229 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(CO)[C@]12O ZINC000147974141 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(CO)[C@]12O ZINC000147974383 HG Annotated Anodyne in-man endogenous CN1C=CN(CCCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000148144546 HG Annotated Anodyne NC1=N[C@@]2(c3cc(CNCC(F)(F)F)ccc3F)CO[C@@H](CF)C[C@H]2CS1 ZINC000148295090 HG Annotated Anodyne C[C@H]1C[C@H]2[C@@H](CF)SC(N)=N[C@@]2(c2cc(CNCC(F)(F)F)ccc2F)CO1 ZINC000148297354 HG Annotated Anodyne CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(N3C[C@@H](c4ccccc4)CC3=O)c2)C(=N)N1 ZINC000148355988 HG Annotated Anodyne COCCc1ccc(-c2c(C)nc3c(N4CCOCC4)nc(C(F)(F)F)cn23)cn1 ZINC000148359487 HG Annotated Anodyne CON(C)C(=O)c1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cc1Cl ZINC000148569080 HG Annotated Mild CCc1ncnc(-c2ccc(Cl)c(C(=O)N(C)C)c2)c1C#Cc1ccc(N)nc1 ZINC000148576147 HG Annotated Mild CCc1ncnc(-c2cc(F)c(C(=O)N(C)C)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148580441 HG Annotated Mild CCCS(=O)(=O)Nc1nc2ccccc2nc1Nc1cc(OC)ccc1CCO ZINC000148597211 HG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCCCO3)cc2)c1C#Cc1ccc(N)nc1 ZINC000148678628 HG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)O)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148753045 HG Annotated Mild Cc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148873377 HG Annotated Mild Cc1cn(C2=NCC(=O)N3CCc4c(ccc(F)c4-c4cccnc4F)C3=C2)cn1 ZINC000148951157 HG Annotated Anodyne COCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4ncc(C)s4)C3=C2)cn1 ZINC000148954725 HG Annotated Anodyne Cc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000148957559 HG Annotated Mild O=C(Nc1cnc2[nH]c(CN3CCOCC3)cc2c1)c1ccccc1Br ZINC000148963366 HG Annotated Anodyne O=C1CN=C(n2cnc(Cl)c2)C=C2c3cccc(-c4cncc(F)c4)c3CCN12 ZINC000148986411 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4cccc(F)n4)c3CCN12 ZINC000149040466 HG Annotated Anodyne O=C1CN=C(n2cnc(COC(F)(F)F)c2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149088013 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cncc(F)n4)c3CCN12 ZINC000149110001 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4ncccc4F)c3CCN12 ZINC000149122799 HG Annotated Anodyne CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4cnn(C)c4)C3=C2)cn1 ZINC000149133741 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cnc(F)nc4)c3CCN12 ZINC000149136808 HG Annotated Anodyne O=C1CN=C(c2ccoc2)C=C2c3cccc(I)c3CCN12 ZINC000149137285 HG Annotated Anodyne CC(C)c1cn(C2=NCC(=O)N3CCc4c(-c5ccc(F)nc5)ccnc4C3=C2)cn1 ZINC000149148620 HG Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2Cl)CC1 ZINC000149162405 HG Annotated Anodyne COCCOCc1cccc2c1CCN1C(=O)CN=C(c3cccc(OC)c3)C=C21 ZINC000149214471 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccc(O)nc4)c3CCN12 ZINC000149234102 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3ccnc(-c4ccc(F)nc4)c3CCN12 ZINC000149237788 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4cc(F)ccn4)c3CCN12 ZINC000149267717 HG Annotated Anodyne CCOCc1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccs4)C3=C2)cn1 ZINC000149268598 HG Annotated Anodyne CC(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4-c4nccn4C)C3=C2)cn1 ZINC000149290635 HG Annotated Clean NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@@H](CCC(F)(F)F)C21COC1 ZINC000149296276 HG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@@H](CCC(F)(F)F)C21COC1 ZINC000149296470 HG Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@H](CCC(F)(F)F)C21COC1 ZINC000149296677 HG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@H](CCC(F)(F)F)C21COC1 ZINC000149296885 HG Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@@H](Cc1ccccc1)C21COC1 ZINC000149297131 HG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@@H](Cc1ccccc1)C21COC1 ZINC000149297310 HG Annotated Anodyne NC1=N[C@@]2(CO1)c1cc(Br)ccc1O[C@H](Cc1ccccc1)C21COC1 ZINC000149297520 HG Annotated Anodyne NC1=N[C@]2(CO1)c1cc(Br)ccc1O[C@H](Cc1ccccc1)C21COC1 ZINC000149297719 HG Annotated Anodyne Cc1cn2ccc(-c3ccc4c(c3)[C@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)cc2n1 ZINC000149410979 HG Annotated Anodyne Cc1cn2ccc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)cc2n1 ZINC000149411169 HG Annotated Anodyne Cc1nc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CCC5)n4)C=C32)co1 ZINC000149499169 HG Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/C(=O)N2CCN(C)CC2)cc1 ZINC000149615989 HG Annotated Anodyne C[C@@H](Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1)NC(=O)C(F)F ZINC000149647098 HG Annotated Clean C[C@H](Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1)NC(=O)C(F)F ZINC000149647348 HG Annotated Clean O=C(Cc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1)N1CCOCC1 ZINC000149727354 HG Annotated Anodyne COCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000149769975 HG Annotated Anodyne O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@@H]2CNCCO2)cc1Cl ZINC000149846524 HG Annotated Anodyne O=C(Nc1cnc(C(F)(F)F)nc1)Nc1ccc([C@H]2CNCCO2)cc1Cl ZINC000149846739 HG Annotated Anodyne O=C(Cc1nnc(Cc2nc3c(-c4ccccc4)cccc3s2)o1)NC1(CO)CC1 ZINC000149869944 HG Annotated Anodyne N#Cc1ccc(NC(=O)Nc2ccc([C@H]3CNCCO3)cc2Br)cn1 ZINC000149901196 HG Annotated Anodyne N#Cc1ccc(NC(=O)Nc2ccc([C@@H]3CNCCO3)cc2Br)cn1 ZINC000149901714 HG Annotated Anodyne Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCCN2CCCC2=O)cn1 ZINC000149909624 HG Annotated Anodyne N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)cc3Cl)cn2)cc1 ZINC000149911280 HG Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4cnc(-c5ccccc5)cc4s3)o2)CC1 ZINC000149924267 HG Annotated Mild N#Cc1ccc(-n2cc(C(=O)Nc3ccc([C@H]4CNCCO4)c(Cl)c3)cn2)cc1 ZINC000149937834 HG Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ncc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000149953350 HG Annotated Anodyne CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ncc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 ZINC000149953540 HG Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ncc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000149953674 HG Annotated Anodyne CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ncc(OC[C@H]4CC4(F)F)cn3)C2)cc1 ZINC000149953992 HG Annotated Anodyne C[C@H](NC(=O)c1cnn(C)c1)c1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 ZINC000149956174 HG Annotated Clean CC(=O)N[C@@H](C)c1ccc(C2CN(c3nc(N(C)CC(F)F)ncc3F)C2)cc1 ZINC000149971560 HG Annotated Anodyne COCCN(CCOC)c1nn2c(-c3ccc(OC)cc3)nnc2c2ccccc12 ZINC000001532982 HG Annotated Anodyne NC1=NS(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc21 ZINC000001623078 HG Annotated Anodyne CN1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](CC(=O)O)c2cccn21 ZINC000001629074 HG Annotated Bother CCN(CC)CCn1ccc(=O)c2cc3c(=O)ccn(CCN(CC)CC)c3c(C)c21 ZINC000001629465 HG Annotated Bother CCO[C@@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@H]1C ZINC000001631674 HG Annotated Reactive COCOc1ccc(C(=O)[C@@H](C)c2ccc(OCOC)cc2OCOC)c(O)c1 ZINC000001636816 HG Annotated Anodyne COC(=O)c1c(C(=O)OC)c2ccccn2c1-c1cc(C)cc2c1C(=O)C=CC2=O ZINC000001639360 HG Annotated Mild C=C1C[C@@H](c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O ZINC000001642839 HG Annotated Mild Cc1ccc(Nc2nc3c(=O)n(C)c(=O)n(C)c3nc2Nc2ccc(C)cc2)cc1 ZINC000001644379 HG Annotated Anodyne Cn1cc(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)c(=O)c2ccc(F)cc21 ZINC000001644386 HG Annotated Mild Cc1cc(S(=O)(=O)Nc2nnc3c4ccccc4cnn23)c(S)cc1Cl ZINC000001645170 HG Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nnc3cnc4ccccc4n23)c(S)cc1Cl ZINC000001645171 HG Annotated Anodyne C[n+]1cn(-c2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c2ccccc21 ZINC000001650366 HG Annotated Anodyne COCn1cnc2c(=O)n(-c3ccc(OC)cc3)c(=S)n(-c3ccc(OC)cc3)c21 ZINC000001651046 HG Annotated Anodyne CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c2[nH]cc(C)c24)n(C)c1 ZINC000001651799 HG Annotated Mild CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]cc(C)c24)n(C)c1 ZINC000001651800 HG Annotated Mild S=C(N/N=C\C(=N/NC(=S)N1CCCCC1)c1ccccc1)N1CCCCC1 ZINC000001653426 HG Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@]1(C)O ZINC000001653574 HG Annotated Anodyne CCOC(=O)c1cc([C@@]2(OC)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 ZINC000001653626 HG Annotated Anodyne COc1cc2c3c(cc(Cl)nc3c1OC)[C@](O)(CC(=O)c1ccccc1)C(=O)N2 ZINC000001656636 HG Annotated Anodyne NN/C(=N\S(=O)(=O)c1ccc(-c2ccccn2)s1)Nc1ccc(Cl)cc1 ZINC000001656674 HG Annotated Mild Cc1nnc(SCc2nc(C#N)c(C#N)nc2CSc2nnc(C)s2)s1 ZINC000001657689 HG Annotated Mild C[C@H](SC(=S)N1CCOCC1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000001658304 HG Annotated Anodyne O=C1/C(=C\c2ccc([N+](=O)[O-])o2)S[C@@H]2NC(COc3ccc(Cl)cc3)=NN12 ZINC000001660318 HG Annotated Bother O=C1/C(=C\c2ccc([N+](=O)[O-])o2)S[C@H]2NC(COc3ccc(Cl)cc3)=NN12 ZINC000001660320 HG Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@@H](CN3CCC[C@@H]3[C@@H]1O)c1cc(OC)c(OC)cc1-2 ZINC000001661613 HG Annotated Anodyne COC(=O)c1cc2c(cc1Cl)Sc1nnc(Nc3ccccc3)n1S2(=O)=O ZINC000001663284 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@@H]1c1cccc(Br)c1 ZINC000001817741 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@@H]1c1cccc(Br)c1 ZINC000001817742 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@H]1c1cccc(Br)c1 ZINC000001817743 HG Annotated Anodyne CCCN(CCC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(C)cnc12 ZINC000001856424 HG Annotated Anodyne COc1cc(OC)c(C2(c3c(OC(C)C)c(=O)c3=O)SCCCS2)cc1OC ZINC000001860382 HG Annotated Anodyne CC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 ZINC000001862730 HG Annotated Reactive CC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 ZINC000001862733 HG Annotated Reactive COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000001863278 HG Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000001863280 HG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 ZINC000001863281 HG Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 ZINC000001863282 HG Annotated Anodyne Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)CN(C)C)c(F)c3)oc2c1F ZINC000001863341 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2c3cccc4c3[C@H](C[C@@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000001863663 HG Annotated Anodyne Cc1cc(OCCCCNC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000001893784 HG Annotated Anodyne CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12 ZINC000001895243 HG Annotated Mild O=C(O)C[C@H](NC(=O)CCCCc1ccc2c(n1)NCCC2)c1ccc2c(c1)OCC2 ZINC000001912559 HG Annotated Anodyne COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000001912582 HG Annotated Bother Cc1cccc2[nH]c(CCNC(=O)CN3Cc4cc(Cl)ccc4O[C@H](C)C3)nc12 ZINC000015001780 HG Annotated Anodyne Cc1cccc2[nH]c(CCNC(=O)CN3Cc4cc(Cl)ccc4O[C@@H](C)C3)nc12 ZINC000015001783 HG Annotated Anodyne CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)N(C)Cc2nc(C)c[nH]2)CC1 ZINC000015061633 HG Annotated Anodyne Cc1cc(OCc2cc(C(=O)NCCN3CCCC[C@@H]3CO)no2)cc(C)c1Cl ZINC000015062546 HG Annotated Anodyne Cc1cc(OCc2cc(C(=O)NCCN3CCCC[C@H]3CO)no2)cc(C)c1Cl ZINC000015062548 HG Annotated Anodyne CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000015065598 HG Annotated Anodyne CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(COc2c(F)cccc2F)on1 ZINC000015065599 HG Annotated Anodyne CC(C)Cn1c(CN2CCc3sccc3C2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000015066435 HG Annotated Anodyne CC(C)Cn1c(CN2CCc3sccc3C2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000015066436 HG Annotated Anodyne CC(C)CN1CCC(CN(C)C(=O)c2cn(Cc3c(F)cccc3F)nn2)CC1 ZINC000015066587 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115434 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115436 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C=O)[C@@]12O ZINC000015115440 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@@]12O ZINC000015115496 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@@]12O ZINC000015115498 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@@]12O ZINC000015115500 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@@]12O ZINC000015115502 HG Annotated Anodyne in-man endogenous COC1=C(OC)C(=O)c2c(cc(C)cc2-c2cc(OC)c3c(c2OC)OCO3)C1=O ZINC000015119301 HG Annotated Mild COC1=C(OC)C(=O)c2cc(-c3cc(OC)c4c(c3OC)OCO4)c(C)cc2C1=O ZINC000015119302 HG Annotated Mild CC(=O)OC[C@@]12[C@@H]3C[C@@H](C)[C@]4(C[C@@H](c5ccoc5)OC4=O)[C@H]1CCC[C@H]2C(=O)O3 ZINC000015162170 HG Annotated Anodyne C=C1CC[C@H]([C@@H](C)CO)[C@@H]2[C@H]1C(=O)C[C@@](C)(O)[C@H]1CC[C@@](C)(OC(=O)CCC)[C@@H]2O1 ZINC000015197587 HG Annotated Mild O=c1oc2c3oc4cc(O)c(O)c(O)c4oc3cc3c(=O)oc4c(O)c(O)cc1c4c32 ZINC000015204444 HG Annotated Clean COC1=CC2(C=C(OC)C1=O)C[C@@H](C)[C@H](C)[C@@H](O)c1cc(OC)c(OC)c(OC)c12 ZINC000015210761 HG Annotated Mild C=CCc1cc(OC)c2c(c1)O[C@@](O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C)O2 ZINC000015211448 HG Annotated Mild C=CC(C)(C)c1cc(O)c2oc3c4c(ccc3c(=O)c2c1O)[C@H](O)[C@H](O)C(C)(C)O4 ZINC000015252002 HG Annotated Mild C=CC(C)(C)c1cc(O)c2oc3c4c(ccc3c(=O)c2c1O)[C@H](O)[C@@H](O)C(C)(C)O4 ZINC000015252009 HG Annotated Mild C=CC(C)(C)c1cc(O)c2oc3c4c(ccc3c(=O)c2c1O)[C@@H](O)[C@H](C(C)(C)O)O4 ZINC000015252044 HG Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@H](CC[C@@]24CCC(=O)O4)[C@@H]13 ZINC000015449345 HG Annotated Anodyne FC(F)Oc1cnc(Oc2cnc(Nc3ccc([C@@H]4CNCCO4)cc3)nc2)nc1 ZINC000150017669 HG Annotated Anodyne Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccccc2Cl)c1 ZINC000150149056 HG Annotated Anodyne CC(C)c1nc2c(s1)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150158495 HG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncnc(OC[C@@H]4CC4(F)F)c3F)C2)cc1 ZINC000150205620 HG Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(C2CN(c3ncnc(OC[C@H]4CC4(F)F)c3F)C2)cc1 ZINC000150205832 HG Annotated Anodyne CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)NC)cc4)c3)cnnc21 ZINC000150235024 HG Annotated Anodyne CCCC(=O)c1c(O)cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O ZINC000154962638 HG Annotated Mild CCOC(=O)CCc1c(C)nc2nc(NCc3c(F)cccc3Cl)nn2c1O ZINC000015668925 HG Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3ccc(OC(C)C)cc3)nn2c1O ZINC000015669027 HG Annotated Anodyne Cc1ccsc1CN1CCc2nc(N3CCN(c4ccccn4)CC3)ncc2C1 ZINC000015779643 HG Annotated Anodyne O=C1C(Br)=CC(=CNNc2ccc(Cl)nn2)C=C1Br ZINC000015880076 HG Annotated Mild COC(=O)C1(Cc2cc(-c3cccnc3)no2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000015924810 HG Annotated Anodyne Cc1cccc2[nH]c(CCNC(=O)[C@@H]3CCC(=O)N(CCc4cccc(F)c4)C3)nc12 ZINC000015934864 HG Annotated Anodyne Cc1cccc2[nH]c(CCNC(=O)[C@H]3CCC(=O)N(CCc4cccc(F)c4)C3)nc12 ZINC000015934865 HG Annotated Anodyne CCN1C(NCCCCO)=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C ZINC000015935431 HG Annotated Anodyne CCn1c(=O)c(CCC(=O)NC[C@@H]2CCCO2)c(C)c2c(C)nn(-c3ccccc3)c21 ZINC000015935529 HG Annotated Anodyne CCn1c(=O)c(CCC(=O)NC[C@H]2CCCO2)c(C)c2c(C)nn(-c3ccccc3)c21 ZINC000015935530 HG Annotated Anodyne O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000015935597 HG Annotated Bother CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000015935631 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@@]12C ZINC000015935640 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@]12C ZINC000015935643 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000015935735 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@@]12C ZINC000015935736 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(F)cc3)C(=O)[C@]12C ZINC000015936649 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C ZINC000015936650 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C ZINC000015936652 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@]12C ZINC000015936660 HG Annotated Anodyne O=S1(=O)CCO[C@H]2Cc3ccccc3[C@H]2N1Cc1ccccc1Br ZINC000015937191 HG Annotated Anodyne Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015937553 HG Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NCC3CC3)c([N+](=O)[O-])c2)c1 ZINC000015937554 HG Annotated Bother CCCCc1cn(C[C@H]2CC[C@@H]([C@@H]3CC[C@H](Cn4cc(CCCC)nn4)O3)O2)nn1 ZINC000015941113 HG Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNC(=O)CCC(=O)N2C[C@@H](C)Oc3ccccc32)C1 ZINC000015942058 HG Annotated Anodyne COc1ccc(C2=CS/C(=C(C#N)/C=C3/C=CC(=O)C([N+](=O)[O-])=C3)N2)cc1OC ZINC000015952520 HG Annotated Reactive CN(Cc1nc2ccc(F)cc2[nH]1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12 ZINC000015961670 HG Annotated Anodyne O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)NCCc1ccc(Cl)cc1 ZINC000015962748 HG Annotated Anodyne COC1=C/C(=C/NNC(=O)C23CC4CC(CC(C4)C2)C3)C=C(Br)C1=O ZINC000015973708 HG Annotated Reactive Cc1ccc(NC(=O)C[C@@H]2SC(NN/C=C3\C=Nc4ccccc43)=NC2=O)cc1 ZINC000015974288 HG Annotated Anodyne Cc1ccc(NC(=O)C[C@H]2SC(NN/C=C3\C=Nc4ccccc43)=NC2=O)cc1 ZINC000015974289 HG Annotated Anodyne Cc1nc(Nc2ccc(Br)cc2Br)c([N+](=O)[O-])c(=O)[nH]1 ZINC000015974633 HG Annotated Bother COC(=O)c1cc(=O)n(Cc2ccc(F)cc2)c(=NCc2ccc(F)cc2)s1 ZINC000015986748 HG Annotated Anodyne CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)CC1 ZINC000015987937 HG Annotated Anodyne CCCC(=O)c1c(O)cc(OC)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O ZINC000155340715 HG Annotated Mild CCC(=O)c1c(O)cc(OC)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O ZINC000155340857 HG Annotated Mild CCCCC[C@H]1C(=O)Oc2cc(O)c3c(c21)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C3 ZINC000155684901 HG Annotated Clean CSCC[C@@H](N)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1 ZINC000016009860 HG Annotated Anodyne C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000016050237 HG Annotated Anodyne NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1 ZINC000016051801 HG Annotated Anodyne in-vivo O=C(O)C[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000016052515 HG Annotated Anodyne in-vivo COc1ccc([C@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000016958562 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000016981204 HG Annotated Anodyne CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CO)C2)[C@]13C(=O)O ZINC000165853470 HG Annotated Mild C[C@H](NC(=O)c1c(=O)oc(O)c2cccc(-c3cccc(C(F)(F)F)c3)c12)C(=O)O ZINC000166111633 HG Annotated Anodyne O=C(O)CNC(=O)c1c(=O)oc(O)c2cccc(-c3ccc(Cl)c(Cl)c3)c12 ZINC000166197903 HG Annotated Anodyne COCCNC(=O)c1ccc(-c2c(C)c3cc(Cl)c(O)c(C=O)c3oc2=O)cc1 ZINC000166594970 HG Annotated Anodyne CS(=O)(=O)NCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000166784781 HG Annotated Anodyne CCCOc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000167124542 HG Annotated Anodyne CCCOc1ncccc1C(=O)N1C[C@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]2C1 ZINC000167124640 HG Annotated Anodyne CCCOc1ncccc1C(=O)N1C[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@H]2C1 ZINC000167124747 HG Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000167385796 HG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167391351 HG Annotated Mild CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(C)c2)c1C#Cc1ccc(N)nc1 ZINC000167393774 HG Annotated Mild COc1ccc(Nc2nc(-c3ccc4c(c3)OCC(=O)N4)cn3ccnc23)cc1OC ZINC000167820202 HG Annotated Anodyne COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cn3ccnc23)cc1OC ZINC000168600494 HG Annotated Anodyne CNC(=O)c1cccnc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C ZINC000169245573 HG Annotated Anodyne C=C1CC/C=C(/C)CC[C@H](/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000169290322 HG Annotated Mild C=C1CC/C=C(/C)CC[C@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000169290323 HG Annotated Mild C/C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(-c4cccc(N)c4)nn3)[C@@H]2CC1 ZINC000169291583 HG Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169292871 HG Annotated Anodyne C[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169292872 HG Annotated Anodyne C=C1C[C@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(C)=O)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000169292973 HG Annotated Reactive C=C1C[C@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(C)=O)[C@H]42)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000169292974 HG Annotated Reactive CC(C)OC(=O)[C@@H]1[C@@H]2C(=O)N([C@@H](C)c3ccc(Br)cc3)C[C@@]23C=C[C@H]1O3 ZINC000169297678 HG Annotated Anodyne C#CC[N+](C)(C)CCN1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O ZINC000169298824 HG Annotated Mild CC1=C[C@@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(F)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300138 HG Annotated Anodyne CC1=C[C@H]2[C@@H]3C(=O)N(NC(=S)Nc4ccc(F)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300139 HG Annotated Anodyne CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000169300140 HG Annotated Anodyne CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]21 ZINC000169300141 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](OCC3CC3)C[C@H]1Cc1[nH]ncc12 ZINC000169300856 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](OCC1CC1)C2 ZINC000169300857 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000169301029 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000169301030 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169301032 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)cc1 ZINC000169301034 HG Annotated Anodyne COc1cc([C@@]23OC[C@@]24[C@H]2[C@@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000169301460 HG Annotated Anodyne COc1cc([C@]23OC[C@@]24[C@H]2[C@@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000169301461 HG Annotated Anodyne COc1ccc([C@H]2CC(O)=C([C@@H]3NCCc4ccccc43)C(=O)[C@@H]2n2cncn2)cc1 ZINC000169301738 HG Annotated Mild COc1ccc(Cn2c(=O)c3c(n4nnnc24)-c2ccccc2CC32CCCC2)cc1 ZINC000169304015 HG Annotated Anodyne CS(=O)(=O)N(CC(=O)Nc1ccccn1)c1cc(C(F)(F)F)ccc1Cl ZINC000169304240 HG Annotated Anodyne COC(=O)c1ccc(O)c2ncc(-c3ccc(C(=O)NCCCN(C)C)cc3)cc12 ZINC000169304931 HG Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(NC(=O)c3ccccc3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169308359 HG Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(C)c(=O)c3c2)c1F ZINC000169308828 HG Annotated Anodyne CCCCCCCCCN/C(C)=C1/C(=O)N2[C@@H](C(C)(C)C)OC[C@]2(C(=O)OC)C1=O ZINC000169309231 HG Annotated Mild NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(Oc2ccccc2)cc1 ZINC000169309424 HG Annotated Anodyne CN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)NCCc3cccs3)cc21 ZINC000169309905 HG Annotated Anodyne CN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)NCCc3cccs3)cc21 ZINC000169309906 HG Annotated Anodyne CC(=O)C[C@]1(O)C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21 ZINC000169310024 HG Annotated Clean CC(=O)C[C@@]1(O)C(=O)c2c(oc3cc(O)c(O)cc23)-c2oc3cc(O)c(O)cc3c21 ZINC000169310026 HG Annotated Clean CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)nn2)c1 ZINC000169310059 HG Annotated Anodyne CC(=O)c1ccc(C)cc1OCc1cn(CC(=O)NC23CC4CC(CC(C4)C2)C3)nn1 ZINC000169310938 HG Annotated Anodyne COC[C@@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000169311398 HG Annotated Anodyne COC[C@H](C)Oc1nc(C2CC2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 ZINC000169311401 HG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(O[C@@H]2CCCO2)nc1C1CC1 ZINC000169311406 HG Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1C1CC1 ZINC000169311408 HG Annotated Anodyne N#CC1(COc2nc(C3CC3)c(C(=O)NC3[C@H]4CC5C[C@@H]3CC(O)(C5)C4)s2)CC1 ZINC000169311413 HG Annotated Mild O=C(NCCN1CCC(c2nc3ccccc3s2)CC1)[C@@H]1COc2ccccc2O1 ZINC000169312193 HG Annotated Anodyne O=C(NCCN1CCC(c2nc3ccccc3s2)CC1)[C@H]1COc2ccccc2O1 ZINC000169312194 HG Annotated Anodyne O=C(NCCCN1CCC(c2nc3ccccc3o2)CC1)[C@@H]1COc2ccccc2O1 ZINC000169312196 HG Annotated Anodyne O=C(NCCCN1CCC(c2nc3ccccc3o2)CC1)[C@H]1COc2ccccc2O1 ZINC000169312198 HG Annotated Anodyne COC(=O)c1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000169313162 HG Annotated Mild COC(=O)c1cccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000169313163 HG Annotated Mild CCN(CC(=O)N[C@H]1C(=O)CC[C@@]2(C)c3cc(C)ccc3O[C@@H]12)Cc1ccccc1 ZINC000169316336 HG Annotated Anodyne CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc(S(=O)(=O)O)cc21 ZINC000169316374 HG Annotated Anodyne C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169316407 HG Annotated Mild C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169316409 HG Annotated Mild C/C=C/C=C/C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319056 HG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)c3ccccc3C(=O)O)c3ccccc23)S1 ZINC000169319798 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)c3ccccc3C(=O)O)c3ccccc23)S1 ZINC000169319799 HG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)c3ccccc3C(=O)O)c3ccccc23)S1 ZINC000169319800 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)c3ccccc3C(=O)O)c3ccccc23)S1 ZINC000169319801 HG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)N(C)C)c3ccccc23)S1 ZINC000169319802 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OCC(C)(C)N(C)C)c3ccccc23)S1 ZINC000169319803 HG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OCC(C)(C)N(C)C)c3ccccc23)S1 ZINC000169319804 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OCC(C)(C)N(C)C)c3ccccc23)S1 ZINC000169319805 HG Annotated Anodyne NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2cccc([N+](=O)[O-])c2)c1=O ZINC000169320237 HG Annotated Clean CNC1=NC(=O)[C@@H]([C@@H](C)c2cn(C(=O)OC(C)(C)CN(C)C)c3ccccc23)S1 ZINC000169320517 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@@H](C)c2cn(C(=O)OC(C)(C)CN(C)C)c3ccccc23)S1 ZINC000169320518 HG Annotated Anodyne CNC1=NC(=O)[C@@H]([C@H](C)c2cn(C(=O)OC(C)(C)CN(C)C)c3ccccc23)S1 ZINC000169320519 HG Annotated Anodyne CNC1=NC(=O)[C@H]([C@H](C)c2cn(C(=O)OC(C)(C)CN(C)C)c3ccccc23)S1 ZINC000169320521 HG Annotated Anodyne O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])[C@@H]1CSCN12 ZINC000169322111 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])[C@@H]1CSCN12 ZINC000169322114 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1cccc(Cl)c1)[C@@H]([N+](=O)[O-])[C@@H]1CSCN12 ZINC000169322129 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1cccc(Cl)c1)[C@H]([N+](=O)[O-])[C@@H]1CSCN12 ZINC000169322134 HG Annotated Bother CC(C)(C)c1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322221 HG Annotated Anodyne CC(C)(C)c1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169322222 HG Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169324070 HG Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169324073 HG Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@@H]2C=C[C@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169324076 HG Annotated Anodyne Cc1cc(C)cc(C(=O)O[C@H]2C=C[C@H](n3ccc(=O)n(Cc4ccccc4)c3=O)C2)c1 ZINC000169324078 HG Annotated Anodyne O=C(Oc1cccc(Cn2ccc(=O)n(Cc3ccccc3)c2=O)c1)c1ccccc1 ZINC000169324120 HG Annotated Anodyne COc1ccc(Cl)c2c1CCC(CN1CCC(C(=O)N3CCOCC3)CC1)=C2 ZINC000169324744 HG Annotated Anodyne CN1CNS(=O)(=O)c2cc(C(=O)Oc3ccccc3OCc3ccccc3)ccc21 ZINC000169325225 HG Annotated Anodyne NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1=O ZINC000169325471 HG Annotated Clean Cc1ccc(-n2[nH]c(C)c(/C=N/Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2=O)cc1C ZINC000169325765 HG Annotated Mild O=C(NC[C@@H]1CCCNC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169325938 HG Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169325940 HG Annotated Anodyne Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000169325964 HG Annotated Clean CCCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)cc1C ZINC000169326245 HG Annotated Anodyne Cc1cc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)ccc1NC(=O)OCC(C)C ZINC000169326250 HG Annotated Anodyne COc1cc2nc(/C=C/C(=O)NC3=C(C(=O)O)CCCC3)ccc2c(OC)c1OC ZINC000169326322 HG Annotated Anodyne O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)SC(=S)N1Cc1ccncc1 ZINC000169327336 HG Annotated Clean O=C(CCc1ccccc1)O[C@@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327507 HG Annotated Anodyne O=C(CCc1ccccc1)O[C@H]1C=C[C@@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327509 HG Annotated Anodyne O=C(CCc1ccccc1)O[C@@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327510 HG Annotated Anodyne O=C(CCc1ccccc1)O[C@H]1C=C[C@H](n2ccc(=O)n(Cc3ccccc3)c2=O)C1 ZINC000169327512 HG Annotated Anodyne Cn1nc(C(F)(F)F)cc1OC[C@@H](CO)NCc1cc2ccccc2nc1Cl ZINC000169328793 HG Annotated Anodyne Cn1nc(C(F)(F)F)cc1OC[C@H](CO)NCc1cc2ccccc2nc1Cl ZINC000169328794 HG Annotated Anodyne COC[C@@H](COc1cc(C(F)(F)F)nn1C)NCc1cc2ccccc2nc1OC ZINC000169328799 HG Annotated Anodyne COC[C@H](COc1cc(C(F)(F)F)nn1C)NCc1cc2ccccc2nc1OC ZINC000169328800 HG Annotated Anodyne Cc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3cnccn3)cc2o1 ZINC000169329222 HG Annotated Anodyne Cc1cc2c(Oc3cnc(C(=O)N(C)C)cn3)cc(C(=O)Nc3ccn(C)n3)cc2o1 ZINC000169329229 HG Annotated Anodyne Cc1nn(C)c2nc3ccc(I)cc3c(NCCCN(C)C)c12 ZINC000169329781 HG Annotated Anodyne C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1)CC2 ZINC000169329972 HG Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(C#N)c(F)c3F)C2)c(=O)[nH]c1=O ZINC000169330001 HG Annotated Mild Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C#N)c(F)c3F)C2)c(=O)[nH]c1=O ZINC000169330003 HG Annotated Mild O=C(NC[C@@H]1CCCCN1)c1cccc(OCC(F)(F)F)c1OCC(F)(F)F ZINC000169330317 HG Annotated Anodyne O=C(NC[C@H]1CCCCN1)c1cccc(OCC(F)(F)F)c1OCC(F)(F)F ZINC000169330319 HG Annotated Anodyne O=C(NC1CCNCC1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169330675 HG Annotated Anodyne CCCOC(=O)Nc1ccc(S(=O)(=O)n2cc(-c3cccs3)[nH]c2=O)cc1C ZINC000169331066 HG Annotated Anodyne Cc1cc(S(=O)(=O)n2cc(-c3cccs3)[nH]c2=O)ccc1NC(=O)OC(C)C ZINC000169331071 HG Annotated Anodyne COc1ccccc1Cn1c(=O)c2c(n3nnnc13)-c1ccccc1CC21CCCC1 ZINC000169331160 HG Annotated Anodyne COc1cccc(Cn2c(=O)c3c(n4nnnc24)-c2ccccc2CC32CCCC2)c1 ZINC000169331161 HG Annotated Anodyne O=C(N[C@@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169331730 HG Annotated Anodyne O=C(N[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000169331731 HG Annotated Anodyne O=[N+]([O-])c1cc(COc2nnnn2-c2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC000169331791 HG Annotated Bother O=C1C(NS(=O)(=O)c2ccccc2)=C(Oc2ccccc2)C(=O)c2ccccc21 ZINC000169333483 HG Annotated Mild O=Cc1cccc(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 ZINC000169333499 HG Annotated Mild O=Cc1ccc(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000169333504 HG Annotated Mild CN1CCN([C@@H](CC(=O)c2cccc3c2CCCC3)C(=O)NC2CCCCC2)CC1 ZINC000169333855 HG Annotated Anodyne CN1CCN([C@H](CC(=O)c2cccc3c2CCCC3)C(=O)NC2CCCCC2)CC1 ZINC000169333857 HG Annotated Anodyne COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000169334668 HG Annotated Mild COC1=C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000169334671 HG Annotated Mild COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@@]15CC2)[C@@H]43 ZINC000169334709 HG Annotated Anodyne CN(C)CCN/N=C1/CC(C)(C)CC2=C1CC(c1ccccc1)=NN2CCN(C)C ZINC000169335453 HG Annotated Mild CN1CCC[C@@H](CNC[C@@H](O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000169335818 HG Annotated Anodyne CN1CCC[C@H](CNC[C@@H](O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000169335820 HG Annotated Anodyne CC(C)c1ccccc1OC[C@@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000169337591 HG Annotated Bother CC(C)c1ccccc1OC[C@H](O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 ZINC000169337592 HG Annotated Bother COc1ccc([C@@H]2[C@@H](CCO)OC(=O)N2c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000169338417 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C)nc3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000169340128 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C)nc3)c(OC[C@H]3CCOC3)nc2s1 ZINC000169340129 HG Annotated Anodyne CC(=O)C(C(C)=O)[C@@H](SCCO)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340619 HG Annotated Anodyne CC(=O)C(C(C)=O)[C@H](SCCO)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340620 HG Annotated Anodyne CC(=O)C(C(C)=O)[C@@H](SCC(=O)O)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340622 HG Annotated Anodyne CC(=O)C(C(C)=O)[C@H](SCC(=O)O)c1ccc(OCC(=O)O)c(Cl)c1Cl ZINC000169340624 HG Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCc1ccco1 ZINC000169340632 HG Annotated Anodyne Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCc1ccco1 ZINC000169340634 HG Annotated Anodyne C[C@H](O)c1cccc(NC(=O)[C@@H]2Sc3nc4cc5c(cc4cc3[C@@H]2N)OCCO5)c1 ZINC000169340903 HG Annotated Anodyne C[C@H](O)c1cccc(NC(=O)[C@H]2Sc3nc4cc5c(cc4cc3[C@@H]2N)OCCO5)c1 ZINC000169340905 HG Annotated Anodyne O=C(O)c1cc(NCc2ccccc2)c2c(c1)S(=O)(=O)C[C@]2(O)c1ccccc1 ZINC000169341375 HG Annotated Anodyne O=C(O)c1cc(NCc2ccccc2)c2c(c1)S(=O)(=O)C[C@@]2(O)c1ccccc1 ZINC000169341376 HG Annotated Anodyne O=C1Oc2ccccc2[C@H](O)[C@@H]1C(c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000169342714 HG Annotated Anodyne CC1(C)C=Cc2c(c3c(CN4CCOCC4)cc(=O)oc3c3cc([N+](=O)[O-])oc23)O1 ZINC000169342963 HG Annotated Bother CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc([N+](=O)[O-])cc12 ZINC000169342973 HG Annotated Bother CCOC(=O)c1csc([C@@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)C(C)C)n1 ZINC000169343792 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1csnn1)C2 ZINC000169344917 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2C[C@@H](c3csnn3)C[C@@H]1Cc1[nH]ncc12 ZINC000169344919 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000169345218 HG Annotated Anodyne CCOC[C@@H]1COc2c(c(Cl)c3[nH]cc(C(=O)OCC)c(=O)c3c2Cl)O1 ZINC000169345486 HG Annotated Anodyne CCOC[C@H]1COc2c(c(Cl)c3[nH]cc(C(=O)OCC)c(=O)c3c2Cl)O1 ZINC000169345487 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000169345861 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000169345864 HG Annotated Anodyne CCCCc1cn(CCCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 ZINC000169346143 HG Annotated Reactive CSc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169346645 HG Annotated Anodyne CSc1ccc2c(c1)c(C(C)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169346646 HG Annotated Anodyne Cn1c([N+](=O)[O-])cnc1[S@@](=O)CCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000169347003 HG Annotated Bother Cn1c([N+](=O)[O-])cnc1[S@](=O)CCCCCCCOc1ccccc1[N+](=O)[O-] ZINC000169347004 HG Annotated Bother COc1cc([C@@H](N)CC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC ZINC000169347576 HG Annotated Anodyne COc1cc([C@H](N)CC(=O)NCCn2c(C)cc3ccccc32)cc(OC)c1OC ZINC000169347577 HG Annotated Anodyne O=C(O)CSc1cc(CNS(=O)(=O)c2ccccc2)c2ccccc2c1O ZINC000169348350 HG Annotated Anodyne CNC(=O)c1cccnc1OCc1ccc(-c2ccc(OCCOC)cc2C)cn1 ZINC000169348948 HG Annotated Anodyne COCCOc1ccc(-c2ccc(COc3nccc(OC)c3C(N)=O)nc2)c(C)c1 ZINC000169349166 HG Annotated Anodyne CNC(=O)NCCOCC[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 ZINC000169349745 HG Annotated Bother COc1ccnc2c1nc(CCn1c(=O)n(C)c3c(C)ccnc31)n2-c1ccccc1 ZINC000169349813 HG Annotated Anodyne COc1ccc(C(=O)O[C@H]2C[C@@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349986 HG Annotated Anodyne COc1ccc(C(=O)O[C@H]2C[C@H]3C(=C2C)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@@]3(C)O)cc1 ZINC000169349988 HG Annotated Anodyne CNC(=O)NCCOCC[n+]1ccc2c(C)c3c(c(C)c2c1)c1cc(O)ccc1n3C ZINC000169350000 HG Annotated Bother COC(=O)c1c2cc[n+](CCNC(=O)N(C)N=O)cc2c(C)c2c1[nH]c1ccccc12 ZINC000169350009 HG Annotated Reactive CNC(=O)NCCC[n+]1ccc2c(C(=O)OC)c3[nH]c4ccccc4c3c(C)c2c1 ZINC000169350011 HG Annotated Bother CCn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1Cl ZINC000169351691 HG Annotated Anodyne Cc1onc(C(=O)N2CCC(Nc3cc(=O)[nH]c4cc(F)c(F)cc34)CC2)c1C ZINC000169351693 HG Annotated Anodyne Cc1onc(C(=O)N2CCC(Nc3cc(=O)n(C)c4cc(F)c(F)cc34)CC2)c1C ZINC000169351697 HG Annotated Anodyne Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2n[nH]c4ccc(F)cc24)C3)c1Cl ZINC000169351707 HG Annotated Anodyne CC(C)CCO[C@@H]1C=CC(=O)[C@@H](Cn2cc(CCCCOC(=O)C(C)(C)C)nn2)O1 ZINC000169353705 HG Annotated Mild COc1cc(CC(O)(COCc2ccccc2)COCc2ccccc2)nc(OC)n1 ZINC000169353940 HG Annotated Anodyne COC1=C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169354632 HG Annotated Mild COC1=C[C@@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169354633 HG Annotated Mild COC1=C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169354634 HG Annotated Mild COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355239 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355240 HG Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355241 HG Annotated Anodyne COc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2C(=O)c2cccs2)cc1 ZINC000169355242 HG Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(C2=NO[C@@H](CO)C2)[C@]13C(=O)O ZINC000169359805 HG Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CO)C2)[C@]13C(=O)O ZINC000169359806 HG Annotated Mild C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C ZINC000169359928 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000169359929 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@H]1C(=O)C[C@@H]1C(C)(C)[C@@H](O)CC[C@@]12C ZINC000169359930 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000169363498 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169365999 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169366000 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169366001 HG Annotated Anodyne O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000169371179 HG Annotated Reactive O=C(O)COc1cccc(C[C@@H]2[C@@H]3CC[C@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000169371180 HG Annotated Reactive CC1(C)[C@@]23CC(=O)[C@@](C)(Br)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000169533855 HG Annotated Anodyne CC1(C)[C@@]23CC(=O)[C@@](C)(Br)C[C@@H]2O[C@@]1(Br)C=C[C@]3(C)O ZINC000169533877 HG Annotated Anodyne O=C(NCCCCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000169538413 HG Annotated Clean in-vitro COC1=C[C@@H](C)[C@@H]2C[C@@H]3O[C@@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000169598471 HG Annotated Mild in-man COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C ZINC000169598472 HG Annotated Mild in-man COC1=C[C@@H](C)[C@H]2C[C@@H]3O[C@@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@]34C)[C@@]2(C)C1=O ZINC000169598473 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@@H]3O[C@@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@]34C)[C@@]2(C)C1=O ZINC000169598474 HG Annotated Mild in-man CC(C)=C[C@H]1O[C@@](C)(C[C@H]2C(=O)C(C)=C[C@@H]2O)[C@@H]2C(=O)[C@@H]3[C@@H](C)CC[C@H]3[C@H](C)[C@]12O ZINC000169660469 HG Annotated Mild COc1cc2c(cc1OC)C1=C(C#N)CC=C(NS(=O)(=O)c3ccccc3)N1CC2 ZINC000169686664 HG Annotated Reactive COc1ccc(-c2[nH]oc3c(O)n(-c4ccc5c(c4)OCCO5)c(=O)c2-3)cc1OC ZINC000169686743 HG Annotated Anodyne CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cccc(OC)c3OC)[C@@H]2C1 ZINC000169686884 HG Annotated Reactive CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(C[C@H](C)O)C[C@H](C)O)nc21 ZINC000169687101 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccnc3)[C@H]2C1 ZINC000169687157 HG Annotated Reactive COc1cc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687170 HG Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687171 HG Annotated Anodyne COc1cc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687172 HG Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000169687173 HG Annotated Anodyne CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 ZINC000169687202 HG Annotated Anodyne CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 ZINC000169687203 HG Annotated Anodyne CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 ZINC000169687204 HG Annotated Anodyne CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 ZINC000169687205 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@@H]1c1ccc(Br)cc1 ZINC000169687241 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@H]1c1ccc(Br)cc1 ZINC000169687242 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccco2)[C@H]1c1cccc(Br)c1 ZINC000169687334 HG Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000169687335 HG Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000169687336 HG Annotated Anodyne CCOc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000169687337 HG Annotated Anodyne CCOc1ccc(C(=O)[C@H]2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C)o2)cc1 ZINC000169687338 HG Annotated Anodyne Cc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000169687339 HG Annotated Anodyne Cc1ccc([C@H]2[C@@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000169687340 HG Annotated Anodyne Cc1ccc([C@@H]2[C@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000169687341 HG Annotated Anodyne Cc1ccc([C@H]2[C@H](C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2C[C@@H]2CCCO2)o1 ZINC000169687342 HG Annotated Anodyne CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 ZINC000169687347 HG Annotated Anodyne CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 ZINC000169687348 HG Annotated Anodyne CCOc1cccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 ZINC000169687349 HG Annotated Anodyne CCOc1cccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 ZINC000169687350 HG Annotated Anodyne CCOC(=O)[C@@H]1C=Nc2ccccc2N=C1NC(=O)c1ccc(Br)o1 ZINC000169687379 HG Annotated Anodyne CCOC(=O)[C@H]1C=Nc2ccccc2N=C1NC(=O)c1ccc(Br)o1 ZINC000169687380 HG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000169687603 HG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000169687604 HG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000169687605 HG Annotated Anodyne COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1 ZINC000169687606 HG Annotated Anodyne CCOc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn21 ZINC000169687850 HG Annotated Anodyne CCOc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn21 ZINC000169687851 HG Annotated Anodyne CCOc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn21 ZINC000169687852 HG Annotated Anodyne CCOc1ccccc1[C@H]1[C@H](C(=O)Nc2ccccc2OC)C(C)=Nc2nnnn21 ZINC000169687853 HG Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccc(C)cc2)cc(OC)c1O ZINC000169688019 HG Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OCc2ccc(C)cc2)cc(OC)c1O ZINC000169688020 HG Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OCc2ccc(C)cc2)cc(OC)c1O ZINC000169688021 HG Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)OCc2ccc(C)cc2)cc(OC)c1O ZINC000169688022 HG Annotated Anodyne CCOc1cc([C@@H]2NC(=S)N=C(C)[C@@H]2C(=O)Nc2ccc(OC)cc2)ccc1O ZINC000169688183 HG Annotated Anodyne CCOc1cc([C@H]2NC(=S)N=C(C)[C@@H]2C(=O)Nc2ccc(OC)cc2)ccc1O ZINC000169688184 HG Annotated Anodyne CCOc1cc([C@@H]2NC(=S)N=C(C)[C@H]2C(=O)Nc2ccc(OC)cc2)ccc1O ZINC000169688185 HG Annotated Anodyne CCOc1cc([C@H]2NC(=S)N=C(C)[C@H]2C(=O)Nc2ccc(OC)cc2)ccc1O ZINC000169688186 HG Annotated Anodyne COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1 ZINC000169688620 HG Annotated Reactive COc1ccc(OC)c([C@H]2[C@@H]3CN(C(C)C)CCC3=C(C#N)C(=N)C2(C#N)C#N)c1 ZINC000169688621 HG Annotated Reactive CCOc1ccc(-n2c(O)c(/C=N/c3ccc(N(CC)CC)cc3)c(=O)[nH]c2=O)cc1 ZINC000169688640 HG Annotated Mild COc1cc([C@@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OC(C)C ZINC000169688749 HG Annotated Reactive COc1cc([C@H]2[C@@H]3CN(C)CCC3=C(C#N)C(=N)C2(C#N)C#N)ccc1OC(C)C ZINC000169688750 HG Annotated Reactive CCCN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3cc(OC)ccc3OC)[C@@H]2C1 ZINC000169688751 HG Annotated Reactive CCOc1ccccc1-n1c(O)c(/C=N/c2ccc(N(CC)CC)cc2)c(=O)[nH]c1=O ZINC000169688761 HG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1ccccc1OC(=O)N1CCOCC1 ZINC000169688783 HG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@H]2c1ccccc1OC(=O)N1CCOCC1 ZINC000169688784 HG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@@H](C#N)[C@@H]2c1ccc(OC(=O)N2CCOCC2)cc1 ZINC000169688803 HG Annotated Mild CC1(C)CC(=O)C2=C(C1)OC(=N)[C@H](C#N)[C@@H]2c1ccc(OC(=O)N2CCOCC2)cc1 ZINC000169688804 HG Annotated Mild CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000169688999 HG Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 ZINC000169689000 HG Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000169689001 HG Annotated Anodyne CSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 ZINC000169689002 HG Annotated Anodyne Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 ZINC000169689011 HG Annotated Clean Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(N(C)C)cc2)o1 ZINC000169689012 HG Annotated Clean Cc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 ZINC000169689013 HG Annotated Clean Cc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(N(C)C)cc2)o1 ZINC000169689014 HG Annotated Clean O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689170 HG Annotated Anodyne O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000169689171 HG Annotated Anodyne CN[C@@H]1CC[C@@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000169689183 HG Annotated Reactive CN[C@H]1CC[C@@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000169689184 HG Annotated Reactive CN[C@@H]1CC[C@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000169689185 HG Annotated Reactive CN[C@H]1CC[C@H](Br)C[C@@H](C(=O)/C=C/c2cccc(OC)c2OC)C1=O ZINC000169689186 HG Annotated Reactive CC(=O)N1CCC2(CC1)c1c(CSc3ccc(C)cc3)n[nH]c1OC(=N)[C@@H]2C#N ZINC000169689688 HG Annotated Mild CC(=O)N1CCC2(CC1)c1c(CSc3ccc(C)cc3)n[nH]c1OC(=N)[C@H]2C#N ZINC000169689689 HG Annotated Mild CSc1nnc(-c2ccccc2/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)c(=O)[nH]1 ZINC000169689739 HG Annotated Mild Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c(O)cn1CCCN1CCOCC1 ZINC000169689852 HG Annotated Anodyne N#C[C@@H]1C(=N)Oc2[nH]nc(CSc3ccccc3)c2[C@]12C(=O)Nc1ccccc12 ZINC000169689939 HG Annotated Mild N#C[C@H]1C(=N)Oc2[nH]nc(CSc3ccccc3)c2[C@]12C(=O)Nc1ccccc12 ZINC000169689940 HG Annotated Mild CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000169690214 HG Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 ZINC000169690215 HG Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@@H](C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 ZINC000169690216 HG Annotated Anodyne CCN(CC)CCN1C(=O)C(=O)[C@H](C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 ZINC000169690217 HG Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)[C@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000169690295 HG Annotated Bother O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)[C@@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000169690296 HG Annotated Bother COc1cccc([C@@H]2[C@@H](C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000169690566 HG Annotated Anodyne COc1cccc([C@H]2[C@@H](C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000169690567 HG Annotated Anodyne COc1cccc([C@@H]2[C@H](C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000169690568 HG Annotated Anodyne COc1cccc([C@H]2[C@H](C(=O)OCc3ccccc3)C(C)=Nc3ncnn32)c1OC ZINC000169690569 HG Annotated Anodyne O=C1CCCC2=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000169690959 HG Annotated Anodyne O=C1CCCC2=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000169690960 HG Annotated Anodyne O=C1CCCC2=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000169690961 HG Annotated Anodyne O=C1CCCC2=Nc3[nH]n(-c4ccccc4)c(=O)c3[C@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000169690962 HG Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169691015 HG Annotated Mild CC(C)c1[nH]nc2c1[C@H](c1cccc(OC(=O)N3CCOCC3)c1)[C@@H](C#N)C(=N)O2 ZINC000169691016 HG Annotated Mild CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)[C@@H](C#N)[C@@H]1c1cccs1 ZINC000169691030 HG Annotated Mild CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)[C@H](C#N)[C@@H]1c1cccs1 ZINC000169691031 HG Annotated Mild CCOC(=O)C1=C(C)N=C(SCc2cc(=O)[nH][nH]2)[C@H](C#N)[C@H]1c1cccs1 ZINC000169691032 HG Annotated Mild COc1ccc([C@@H]2c3c(n[nH]c3C)OC(=N)[C@@H]2C#N)cc1Cn1nnc2ccccc21 ZINC000169691070 HG Annotated Mild COc1ccc([C@H]2c3c(n[nH]c3C)OC(=N)[C@@H]2C#N)cc1Cn1nnc2ccccc21 ZINC000169691071 HG Annotated Mild COC(=O)c1[nH]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2 ZINC000169691842 HG Annotated Anodyne C[C@H]1CCCC[C@@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000169692587 HG Annotated Reactive C[C@@H]1CCCC[C@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000169692588 HG Annotated Reactive C[C@H]1CCCC[C@H]1[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000169692590 HG Annotated Reactive CC(C)c1ccc(-n2c(O)c(/C=N/NC(=O)c3ccccc3O)c(=O)[nH]c2=S)cc1 ZINC000169693165 HG Annotated Reactive COc1cc([C@@H]2c3c(-c4ccccn4)n[nH]c3OC(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169693228 HG Annotated Mild COc1cc([C@H]2c3c(-c4ccccn4)n[nH]c3OC(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169693229 HG Annotated Mild O=c1c(Br)cc([N+](=O)[O-])c[c-]1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000169693347 HG Annotated Mild C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000169694321 HG Annotated Anodyne C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@](C)(=N)=O)cc2)ncc1Br ZINC000169694322 HG Annotated Anodyne C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000169694402 HG Annotated Anodyne CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1cccc[n+]1[O-] ZINC000169694814 HG Annotated Mild CCc1ncnc(N2CCC(O)(C3CCCCC3)CC2)c1C#Cc1ccc(N)nc1 ZINC000169699815 HG Annotated Mild CN1C(=O)[C@@]2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCC(OC(F)F)CC1 ZINC000169700457 HG Annotated Anodyne CN1C(=O)[C@]2(N=C1N)c1cc(CCC3CC3)ccc1OC21CCC(OC(F)F)CC1 ZINC000169700458 HG Annotated Anodyne N#C[C-](C#N)C1=N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H](c2cccs2)[C@@H]1C#N ZINC000169700589 HG Annotated Mild N#C[C-](C#N)C1=N[C@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@@H](c2cccs2)[C@@H]1C#N ZINC000169700590 HG Annotated Mild N#C[C-](C#N)C1=N[C@@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H](c2cccs2)[C@@H]1C#N ZINC000169700591 HG Annotated Mild N#C[C-](C#N)C1=N[C@](O)(c2ccccc2)[C@H]([n+]2ccccc2)[C@@H](c2cccs2)[C@@H]1C#N ZINC000169700592 HG Annotated Mild Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4c(F)cccc4-c4ncccn4)C[C@@H]32)n1 ZINC000169701374 HG Annotated Anodyne CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1F ZINC000169701455 HG Annotated Anodyne O=C1CCCN1CC1(O)CCC2(CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 ZINC000169701633 HG Annotated Anodyne CC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cc1 ZINC000169701635 HG Annotated Anodyne CC(C)Oc1ccc(N2CCC3(CCC(O)(COCC(F)(F)F)CC3)C2=O)cn1 ZINC000169701639 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)C3CCCCC3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702562 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@H](CO)C3CCCCC3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702563 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702567 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702568 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@@H]3c4ccccc4C[C@@H]3O)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702570 HG Annotated Anodyne Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702574 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc2c[nH]nc2c1 ZINC000169702590 HG Annotated Mild CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N/c1ccc2c[nH]nc2c1 ZINC000169702591 HG Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc2c[nH]nc2c1 ZINC000169702592 HG Annotated Mild CCOC(=O)[C@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N/c1ccc2c[nH]nc2c1 ZINC000169702593 HG Annotated Mild Cn1c(C(=O)N/N=C/c2ccc(F)cc2)cc(Br)c1Br ZINC000169702859 HG Annotated Reactive Cn1c(C(=O)N/N=C/c2ccc(O)cc2)cc(Br)c1Br ZINC000169702861 HG Annotated Reactive COc1ccc(/C=N/NC(=O)c2cc(Br)c(Br)n2C)cc1 ZINC000169702866 HG Annotated Reactive CC(C)(C)n1c(-c2cccnc2-n2cncn2)nc2cc(-c3cnc(N)nc3)ccc21 ZINC000169703416 HG Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4COCCO4)n3)c(Cl)cn2)CC1 ZINC000169703707 HG Annotated Anodyne N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4COCCO4)n3)c(Cl)cn2)CC1 ZINC000169703708 HG Annotated Anodyne Nc1ncc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](N)CC4)ncc3Cl)n2)cn1 ZINC000169703711 HG Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4COCCO4)n3)c(Cl)cn2)CC1 ZINC000169703736 HG Annotated Anodyne O[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4COCCO4)n3)c(Cl)cn2)CC1 ZINC000169703737 HG Annotated Anodyne NC[C@@H](O)CNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703784 HG Annotated Anodyne NC[C@H](O)CNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 ZINC000169703785 HG Annotated Anodyne O=C(NCCCCc1ccccc1)Nc1ccc2ncc(N3CCOCC3)nc2n1 ZINC000169704103 HG Annotated Anodyne CCc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(F)(F)C5)c34)cnn2C)cc1 ZINC000169706113 HG Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)NCC(F)(F)F)c2)cc1 ZINC000169706279 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)NCC(F)(F)F)c2)cc1 ZINC000169706280 HG Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cccc(C(=O)NCc3ccccn3)c2)cc1 ZINC000169706289 HG Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cccc(C(=O)NCc3ccccn3)c2)cc1 ZINC000169706290 HG Annotated Mild COc1ccc(Nc2nccc(C#Cc3ccc(C[C@@H](C)NC(C)=O)cc3)n2)cn1 ZINC000169706345 HG Annotated Mild COc1ccc(Nc2nccc(C#Cc3ccc(C[C@H](C)NC(C)=O)cc3)n2)cn1 ZINC000169706346 HG Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCc3ccncc3)nc2)cc1 ZINC000169706437 HG Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCc3ccncc3)nc2)cc1 ZINC000169706438 HG Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3C[C@H]4CCC[C@H]4C3)nc2)cc1 ZINC000169706439 HG Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3C[C@H]4CCC[C@H]4C3)nc2)cc1 ZINC000169706440 HG Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3C[C@H]4CCC[C@@H]4C3)nc2)cc1 ZINC000169706441 HG Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3C[C@H]4CCC[C@@H]4C3)nc2)cc1 ZINC000169706442 HG Annotated Mild COC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(NCc3cccnc3)nc2)cc1 ZINC000169706445 HG Annotated Mild COC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(NCc3cccnc3)nc2)cc1 ZINC000169706446 HG Annotated Mild CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3C)nn2-c2ccccc2)c1 ZINC000169706935 HG Annotated Anodyne COC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707024 HG Annotated Anodyne COC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707025 HG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3C)nn2-c2ccccc2)c1 ZINC000169707064 HG Annotated Anodyne CC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCOCC2)c1 ZINC000169707117 HG Annotated Anodyne COC(C)(C)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3)nn2-c2ccccc2)c1 ZINC000169707189 HG Annotated Anodyne COC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)N3)nn2-c2ccccc2)c1 ZINC000169707190 HG Annotated Anodyne CCOCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707200 HG Annotated Anodyne CCOCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1 ZINC000169707202 HG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(O)c2)c1 ZINC000169707264 HG Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(O)cc2)c1 ZINC000169707293 HG Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@@H](O)C(C)(C)c1ccc(C(N)=O)cn1 ZINC000169707489 HG Annotated Anodyne Cc1onc(-c2ccc(Cl)cn2)c1CO[C@H](O)C(C)(C)c1ccc(C(N)=O)cn1 ZINC000169707490 HG Annotated Anodyne Cc1cc(C)n(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707681 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccnc3)c2)c2cncnc21 ZINC000169707682 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccccn3)c2)c2cncnc21 ZINC000169707707 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)cc(F)c3)c2)c2cncnc21 ZINC000169707721 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)ccc3F)c2)c2cncnc21 ZINC000169707741 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cc3F)c2)c2cncnc21 ZINC000169707742 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)cccc3F)c2)c2cncnc21 ZINC000169707744 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)c(F)c3)c2)c2cncnc21 ZINC000169707746 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3cccc(Cl)c3)c2)c2cncnc21 ZINC000169707748 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 ZINC000169707866 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3cccc(F)c3)c2)c2cncnc21 ZINC000169707871 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccccc3F)c2)c2cncnc21 ZINC000169707874 HG Annotated Anodyne Cn1cc(C(=O)c2cncc(NC(=O)CCc3ccc(F)cc3)c2)c2cncnc21 ZINC000169707875 HG Annotated Anodyne CCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1 ZINC000169707930 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ncn4c3CCC4)c2)c2cncnc21 ZINC000169707936 HG Annotated Anodyne CCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)on1 ZINC000169707940 HG Annotated Anodyne COc1ccc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nc1 ZINC000169707951 HG Annotated Anodyne CCn1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1 ZINC000169707958 HG Annotated Anodyne Cc1nc(C)c(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)o1 ZINC000169707976 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4n(n3)CCC4)c2)c2cncnc21 ZINC000169707978 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccncc3F)c2)c2cncnc21 ZINC000169707980 HG Annotated Anodyne COCc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)no1 ZINC000169707990 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnn4c3CCC4)c2)c2cncnc21 ZINC000169707992 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc(C#N)nc3)c2)c2cncnc21 ZINC000169707994 HG Annotated Mild Cc1cc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nc(C)n1 ZINC000169707999 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc(C#N)ccn3)c2)c2cncnc21 ZINC000169708000 HG Annotated Mild COc1cncc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1 ZINC000169708004 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H](O)c3ccccc3)c2)c2cncnc21 ZINC000169708028 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](O)c3ccccc3)c2)c2cncnc21 ZINC000169708029 HG Annotated Anodyne Cc1ccc(-c2ccnc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1 ZINC000169708336 HG Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3nccc(-c4ccc(F)nc4)c3CCN12 ZINC000169708337 HG Annotated Anodyne Cc1cnc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1 ZINC000169708340 HG Annotated Anodyne NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cn4cccnc4n3)C[C@H]2CS1 ZINC000169708466 HG Annotated Anodyne CCOc1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)nn1C ZINC000169708483 HG Annotated Anodyne N#C[C@@H](Cc1cc2cc(Br)ccc2s1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000169708962 HG Annotated Mild N#C[C@H](Cc1cc2cc(Br)ccc2s1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000169708963 HG Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)cn4C)n2)cc1CN1CC(O)C1 ZINC000169709011 HG Annotated Anodyne C[C@H](NC(=O)CCO)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709500 HG Annotated Anodyne C[C@H](NC(=O)CCO)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709501 HG Annotated Anodyne C[C@H](NC(=O)[C@@H](C)O)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709738 HG Annotated Anodyne C[C@H](O)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709739 HG Annotated Anodyne C[C@H](NC(=O)[C@@H](C)O)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709740 HG Annotated Anodyne C[C@H](O)C(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(F)(F)F)n3)C2)cc1 ZINC000169709741 HG Annotated Anodyne O=C(NCCO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cncc(F)c2)O3)s1 ZINC000169710660 HG Annotated Anodyne O=C(NCCO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cncc(F)c2)O3)s1 ZINC000169710661 HG Annotated Anodyne N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000169710671 HG Annotated Anodyne N[C@H]1C[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000169710672 HG Annotated Anodyne CC1(c2noc(N[C@@H]3CC[C@@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 ZINC000169710811 HG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 ZINC000169710813 HG Annotated Anodyne CC(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 ZINC000169710816 HG Annotated Anodyne CC(C)(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 ZINC000169710818 HG Annotated Anodyne CNC(=O)c1nc(C#N)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169710929 HG Annotated Mild Cc1ncc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)cc2)cn1 ZINC000169711314 HG Annotated Anodyne COc1ccc(COc2ccn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 ZINC000169711483 HG Annotated Anodyne NC1=N[C@@]2(c3ccccc3F)CO[C@@H](COC(=O)c3ccccc3)C[C@H]2CS1 ZINC000169711629 HG Annotated Anodyne Ic1occc1-c1cnc2c(c1)C[C@]1(CN3CCC1CC3)O2 ZINC000169712348 HG Annotated Anodyne O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)NCCCCc2ccccc2)[nH]1 ZINC000169712840 HG Annotated Anodyne O=c1[nH]c(O)c(-c2cc(Cl)ccc2S(=O)(=O)CCc2ccc(Cl)cc2)[nH]1 ZINC000169712841 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)cc1OC ZINC000169715434 HG Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)cc1OC ZINC000169715435 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)cc1OC ZINC000169715436 HG Annotated Anodyne COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ccc(F)cc4S3(=O)=O)C2)cc1OC ZINC000169715437 HG Annotated Anodyne CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](c1ccccc1)N2 ZINC000169719760 HG Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCCn3ccc4cccnc43)cc2)[C@@H]1C(=O)O ZINC000169720014 HG Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCCn3ccc4cccnc43)cc2)[C@@H]1C(=O)O ZINC000169720015 HG Annotated Anodyne CC1=NC(=O)N[C@@H](c2ccc(OCCCn3ccc4cccnc43)cc2)[C@H]1C(=O)O ZINC000169720016 HG Annotated Anodyne CC1=NC(=O)N[C@H](c2ccc(OCCCn3ccc4cccnc43)cc2)[C@H]1C(=O)O ZINC000169720017 HG Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCn1ccc2cccnc21 ZINC000169720042 HG Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)O)ccc1OCCn1ccc2cccnc21 ZINC000169720043 HG Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCn1ccc2cccnc21 ZINC000169720044 HG Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)O)ccc1OCCn1ccc2cccnc21 ZINC000169720045 HG Annotated Anodyne CCCCCN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@@H]12)C(=O)C=CC4=O ZINC000169724437 HG Annotated Mild CCCCCN/C=C1\C(=O)CC[C@@]2(C)c3cc4c(cc3C(=O)C(=O)[C@H]12)C(=O)C=CC4=O ZINC000169724438 HG Annotated Mild COc1ccc2cc3n(cc-2/c1=N/CCCN(C)C)CCc1cc2c(cc1-3)OCO2 ZINC000169725105 HG Annotated Anodyne O=[N+]([O-])c1cccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000169729959 HG Annotated Bother O=[N+]([O-])c1cccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000169729960 HG Annotated Bother O=[N+]([O-])c1cccc(/C=C2\CNC[C@@H]3C2=NC(=S)N[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000169729961 HG Annotated Bother O=[N+]([O-])c1cccc(/C=C2\CNC[C@H]3C2=NC(=S)N[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000169729962 HG Annotated Bother O=C1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CNC[C@@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000169730007 HG Annotated Bother O=C1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CNC[C@H]2[C@@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000169730008 HG Annotated Bother O=C1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CNC[C@@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000169730009 HG Annotated Bother O=C1N=C2/C(=C/c3cccc([N+](=O)[O-])c3)CNC[C@H]2[C@H](c2cccc([N+](=O)[O-])c2)N1 ZINC000169730010 HG Annotated Bother COc1cc([C@@H]2c3cc4c(cc3O[C@]3(O)CCC[C@@H]23)OCO4)cc(OC)c1OC ZINC000017122626 HG Annotated Anodyne Nc1ccc(C(=O)N/C(=C\C=C\c2ccco2)c2nc3c(O)nc(=S)[nH]c3[nH]2)cc1 ZINC000017190756 HG Annotated Anodyne Cc1ccc(NC(=O)CC/C(CC(=O)C(C)(C)C)=N/Nc2nnc(C)n2N)cc1C ZINC000017194901 HG Annotated Mild Cn1nc(-c2ccccc2)c(C(=O)/C=C/c2ccc(F)cc2)c(N2CCOCC2)c1=O ZINC000017196011 HG Annotated Mild COC(=O)[C@@H](/C(=N\O)C(=O)Nc1cccc(Cl)c1C)c1cnc2ccccc2n1 ZINC000017216011 HG Annotated Mild COC(=O)[C@H](/C(=N\O)C(=O)Nc1cccc(Cl)c1C)c1cnc2ccccc2n1 ZINC000017216014 HG Annotated Mild CCO[C@@H]1[C@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C ZINC000017216404 HG Annotated Reactive CCO[C@H]1[C@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C ZINC000017216407 HG Annotated Reactive C=CCN1/C(=C2\SC(=S)N(c3ccc(C)cc3)C2=O)Sc2c1nc[nH]c2=O ZINC000017218223 HG Annotated Mild COc1ccc([C@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1OC ZINC000017222166 HG Annotated Anodyne COc1cc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)ccc1O ZINC000017222184 HG Annotated Anodyne COc1ccc([C@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC ZINC000017222187 HG Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1=S ZINC000017256155 HG Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1=S ZINC000017256159 HG Annotated Mild CCC[C@@]1(NC(=O)C(F)(F)F)C[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017257741 HG Annotated Anodyne CCC[C@]1(NC(=O)C(F)(F)F)C[C@@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017257744 HG Annotated Anodyne CCC[C@@]1(NC(=O)C(F)(F)F)C[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017257748 HG Annotated Anodyne CCC[C@]1(NC(=O)C(F)(F)F)C[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]21 ZINC000017257751 HG Annotated Anodyne O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N(S(=O)(=O)c2ccccc2)c2ncccc21 ZINC000017259315 HG Annotated Mild C[C@H](S[C@H](C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1 ZINC000017314927 HG Annotated Reactive CN1c2ccsc2C(=O)[C@@H](C(=S)Nc2ccc(F)c(Cl)c2)S1(=O)=O ZINC000017537530 HG Annotated Anodyne O=C1NC(=O)/C(=C2\CN(CCC3CCCCC3)S(=O)(=O)c3ccccc32)S1 ZINC000017823040 HG Annotated Anodyne CC(C)C[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000017837378 HG Annotated Mild CC(C)C[C@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000017837380 HG Annotated Mild CCc1cc(-c2[nH]nc(C)c2-c2nc3ccccc3s2)c(O)cc1OCC(=O)NN ZINC000017885692 HG Annotated Reactive CC[C@@H]1CS/C(=N\c2ccc(C)cc2)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000017888141 HG Annotated Mild O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1cccc(Cl)c1 ZINC000017951354 HG Annotated Mild Cc1c(C(=O)N(C)CCC#N)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc12 ZINC000018038315 HG Annotated Mild Nc1nc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)n[nH]1 ZINC000018084651 HG Annotated Anodyne CC[C@H]1CS/C(=N\c2ccc(C)cc2)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000018084770 HG Annotated Mild O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1cccc(Cl)c1 ZINC000018098680 HG Annotated Mild Nc1nc(SCC(=O)N2N=C3/C(=C/c4ccco4)CCC[C@H]3[C@H]2c2ccco2)n[nH]1 ZINC000018154030 HG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)c(C)c1 ZINC000018159387 HG Annotated Mild aggregator CC(C)C[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000018179175 HG Annotated Mild CC(C)C[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O ZINC000018179177 HG Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000018201238 HG Annotated Mild O=C1C2=C(Nc3[nH]c(=O)[nH]c(=O)c3[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000018201240 HG Annotated Mild COc1cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]23)cc(OC)c1O ZINC000018283077 HG Annotated Anodyne in-man CC(C)=CCC[C@H](C)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000019221766 HG Annotated Anodyne CC(C)=CCC[C@@H](C)CN1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000019221771 HG Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019342381 HG Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccco2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000019342384 HG Annotated Anodyne CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000019499699 HG Annotated Anodyne CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000019499700 HG Annotated Anodyne C=CCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194864520 HG Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)C[C@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194864533 HG Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000194864547 HG Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000194864562 HG Annotated Mild COc1cc(C/N=C(\S)NCc2ccc([Si](C)(C)C)cc2)ccc1OCCN ZINC000194946394 HG Annotated Mild Cc1ccc(CN2CCN(Cc3cnc(-c4ccccc4C)nc3)C[C@@H]2CCO)o1 ZINC000019720529 HG Annotated Anodyne CC(C)Cn1c(CN2CCc3ccccc3C2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000019741086 HG Annotated Anodyne CC(C)Cn1c(CN2CCc3ccccc3C2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000019741088 HG Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CCN(C)[C@@H](c4ccccc4)C3)no2)c1 ZINC000019742862 HG Annotated Anodyne COc1cccc(OCc2cc(C(=O)N3CCN(C)[C@H](c4ccccc4)C3)no2)c1 ZINC000019742864 HG Annotated Anodyne COc1ccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c(OC)c1C ZINC000019761058 HG Annotated Anodyne Cc1ccc(C)c(CN2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)c1 ZINC000019794886 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000195077311 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195077328 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195077345 HG Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CO)C2)[C@]13C(=O)O ZINC000195119612 HG Annotated Mild C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1cc(O)cc(O)c1 ZINC000195170027 HG Annotated Reactive C[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195195227 HG Annotated Anodyne C[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000195195239 HG Annotated Anodyne Cc1nc2c3ccccc3nc-2c(O)n1CCN1CCN2c3ccccc3OC[C@H]2C1 ZINC000195225244 HG Annotated Anodyne O=C(OB(c1ccc(F)c(Cl)c1)c1ccc(F)c(Cl)c1)c1ncccc1O ZINC000195226197 HG Annotated Anodyne O=C(O)COc1cccc(C[C@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 ZINC000195290163 HG Annotated Reactive O=C(O)COc1cccc(C[C@@H]2[C@@H](/C=N/NC(=O)Nc3ccccc3)[C@H]3CC[C@H]2O3)c1 ZINC000195290173 HG Annotated Reactive Cn1nc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccc1=O ZINC000195301352 HG Annotated Reactive C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000195310136 HG Annotated Mild C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000195310145 HG Annotated Mild CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@@]21C ZINC000195330369 HG Annotated Reactive N#CC1=C([C-](C#N)C#N)N[C@@](O)(c2ccccc2)[C@@H]([n+]2ccccc2)[C@H]1c1cccs1 ZINC000195330896 HG Annotated Reactive CC(=O)[C@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000195344279 HG Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]21 ZINC000195369058 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](OCC1CC1)C2 ZINC000195378004 HG Annotated Anodyne COC(=O)/C=C/C1=C(C)C2=Cc3c(C)c(/C=C/C(=O)OC)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195381317 HG Annotated Anodyne CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000195386384 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000195393146 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000195393155 HG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000195394182 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000195394188 HG Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000195394199 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1csnn1)C2 ZINC000195424943 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1csnn1)C2 ZINC000195424950 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195434169 HG Annotated Anodyne CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@]21C ZINC000195442494 HG Annotated Reactive CC(=O)O[C@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@@H]2O[C@@]12C ZINC000195442497 HG Annotated Reactive CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@]21C ZINC000195442502 HG Annotated Reactive CC(=O)O[C@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@]21C ZINC000195442507 HG Annotated Reactive CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000195454481 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)cc1 ZINC000195454485 HG Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 ZINC000195490160 HG Annotated Mild CC1(C)[C@@]23CC(=O)[C@](C)(Br)C[C@@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195496781 HG Annotated Anodyne CC1(C)[C@@]23CC(=O)[C@](C)(Br)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195496786 HG Annotated Anodyne CC1(C)[C@@]23CC(=O)[C@@](C)(Br)C[C@H]2O[C@@]1(Br)C=C[C@@]3(C)O ZINC000195496789 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C/[C@@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000195503392 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000195503396 HG Annotated Anodyne O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 ZINC000195511025 HG Annotated Reactive O=C1OC(=O)[C@H]2[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 ZINC000195511027 HG Annotated Reactive CC[C@@H]1CN2[C@H]3C[C@@H]1[C@@](COC(C)=O)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000197381970 HG Annotated Anodyne C/C1=C/C[C@@H]2C(=O)[C@@H](C(C)C)O[C@]2(C)CC/C(C)=C2/OC(=O)[C@H]3[C@@H]2[C@@H]1O[C@@]3(C)O ZINC000197391311 HG Annotated Anodyne COc1cc([C@@H]2COCO[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000197426573 HG Annotated Anodyne Cc1cc(=O)c2c(O)cc3c(c2o1)[C@H]1C[C@@H](O3)N(C)C[C@H]1OC(=O)c1ccccc1 ZINC000197951121 HG Annotated Anodyne C=C(C)C[C@@H](OC)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O ZINC000197978229 HG Annotated Reactive C=C(C)C[C@@H](OC)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O ZINC000197979263 HG Annotated Reactive COC(=O)C1=C(C(=O)OC)[C@@]2([C@H](Cc3ccc(C)cc3)Nc3ccccc3)C=C[C@@H]1O2 ZINC000198022064 HG Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@]2([C@@H](Cc3ccc(C)cc3)Nc3ccccc3)C=C[C@@H]1O2 ZINC000198022921 HG Annotated Anodyne CC1(C)CN=C(N2CCN(c3ncnc4sc(Br)cc34)CC2)S1 ZINC000198339225 HG Annotated Anodyne Cn1c(=O)cc(OCCCC(=O)Nc2cc(Br)ccn2)c2ccccc21 ZINC000198357493 HG Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccoc2)OC(=O)C2=CC[C@@]34COC(=O)[C@@H]3CCC[C@@H]4[C@]21C ZINC000198449795 HG Annotated Anodyne C=C(C)[C@@H]1C(=O)C([C@@](O)(CO)[C@H]2CC(=O)C(C)=C[C@H]2O)=C[C@H]2C(C)(C)CCC[C@]12C ZINC000198470746 HG Annotated Mild C=C1CC[C@@H]2[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000198837934 HG Annotated Mild COc1c2ccoc2cc2oc(=O)c(C[C@H](OC(C)=O)C(C)(C)OC(C)=O)cc12 ZINC000198858558 HG Annotated Anodyne Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NC3COC3)n2n1 ZINC000199071833 HG Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N2CCCN=C21 ZINC000199084307 HG Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N2CCCN=C21 ZINC000199084326 HG Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000199205531 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000199206575 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1c2ccccc2OCC(=O)N1Cc1ccco1 ZINC000199206588 HG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCOCC1 ZINC000199216532 HG Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCOCC1 ZINC000199216550 HG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000199217961 HG Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccco2)C1=O ZINC000199218051 HG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000199218165 HG Annotated Anodyne COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1 ZINC000199229812 HG Annotated Anodyne O=C(NCc1cccs1)[C@@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1 ZINC000199248397 HG Annotated Anodyne O=C(NCc1cccs1)[C@H]1C(=O)Nc2ccccc2C(=O)N1Cc1ccccc1 ZINC000199248407 HG Annotated Anodyne COCc1cc(N2CCNC[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199267814 HG Annotated Anodyne COCc1cc(N2CCNC[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199269627 HG Annotated Anodyne COCc1cc(N2CCNC[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000199270110 HG Annotated Anodyne COCc1cc(N2CCNC[C@@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000199270864 HG Annotated Anodyne O=C(c1[nH]c(C(F)(F)F)nc1-c1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000199391936 HG Annotated Anodyne Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199396969 HG Annotated Anodyne Cn1nc(C(C)(C)C)cc1N1C(=O)CC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199396984 HG Annotated Anodyne CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(C[C@@]12C(=O)Nc1cc(Cl)c(Cl)cc12)NC4=O ZINC000199445285 HG Annotated Anodyne COC/C=C/c1ccc(O[C@@H](CO)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000199628469 HG Annotated Anodyne COC/C=C/c1ccc(O[C@@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000199628482 HG Annotated Anodyne COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1ccccc1Br)OC[C@H](C)C2 ZINC000199723160 HG Annotated Anodyne COC(=O)Cc1nnn2c1[C@@H](C)[C@@H](c1ccccc1Br)OC[C@H](C)C2 ZINC000199723183 HG Annotated Anodyne COCCN1C(=O)[C@H]2C[C@@]13O[C@H](c1ccccn1)N=C3C[C@H]1c3ccccc3C[C@]21C ZINC000199724022 HG Annotated Anodyne COCCN1C(=O)[C@H]2C[C@@]13O[C@H](c1ccccn1)N=C3C[C@@H]1c3ccccc3C[C@]21C ZINC000199724040 HG Annotated Anodyne CN1C(=O)[C@@]2(O[C@H]3C=CC=CN3C3=C2C(=O)CCC3)c2cccc(Br)c21 ZINC000199741793 HG Annotated Mild C=C1CC[C@@H]2[C@H](CO)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000199867152 HG Annotated Mild CC(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C ZINC000002004578 HG Annotated Bother COCCN(CCOC)c1nc(C)nc2c1sc(=O)n2-c1c(C)cc(C)cc1C ZINC000002022608 HG Annotated Anodyne CCOC(=O)c1c2c(n(C)c1COC)C(=O)C(=O)c1ccc(Br)cc1-2 ZINC000002074908 HG Annotated Clean C[C@@H](/C(O)=N/Cc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000002108866 HG Annotated Mild CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002112690 HG Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002112693 HG Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000002117392 HG Annotated Anodyne Cc1cc(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)c(C)c(=O)oc2c1 ZINC000002117395 HG Annotated Anodyne Cc1cc(O[C@@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)cc(=O)oc2c1 ZINC000002118044 HG Annotated Anodyne Cc1cc(O[C@H](C)C(=O)NCC2CCC(C(=O)O)CC2)c2c(C)cc(=O)oc2c1 ZINC000002118045 HG Annotated Anodyne CCc1cc(=O)oc2c(C)c(OCC(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002125050 HG Annotated Anodyne CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002158765 HG Annotated Anodyne CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002158768 HG Annotated Anodyne Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002159021 HG Annotated Anodyne Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC3CCC(C(=O)O)CC3)ccc12 ZINC000002159023 HG Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC3CCC(C(=O)O)CC3)c12 ZINC000002160470 HG Annotated Anodyne O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccs2)[C@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002218445 HG Annotated Bother O=C1C(=O)N(Cc2ccco2)[C@H](c2cccs2)[C@@H]1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000002218450 HG Annotated Bother COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@@H]1c1ccc(Br)cc1 ZINC000002240258 HG Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccco2)[C@H]1c1ccc(Br)cc1 ZINC000002240259 HG Annotated Anodyne O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000002241166 HG Annotated Anodyne O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2)[C@H]1C(=O)c1ccc2c(c1)OCCO2 ZINC000002241167 HG Annotated Anodyne C=CCOc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCN(CC)CC)c1 ZINC000002262674 HG Annotated Mild Cn1c(N)c(S(=O)(=O)c2ccc(Br)cc2)c2nc3ccccc3nc21 ZINC000002272849 HG Annotated Anodyne COCCCN1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S ZINC000002276183 HG Annotated Clean CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2cccnc12 ZINC000002455846 HG Annotated Anodyne CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456162 HG Annotated Anodyne CC(C)NC(=O)[C@@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457832 HG Annotated Anodyne CC(C)NC(=O)[C@]1(O)c2cc(Br)ccc2NC(=O)N1c1ccccc1 ZINC000002457834 HG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21 ZINC000002458918 HG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC(C)CC3)c21 ZINC000002458920 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCC(C)CC2)C[C@@H]1C ZINC000002459359 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCC(C)CC2)C[C@H]1C ZINC000002459360 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccccc2)C[C@@H]1C ZINC000002459395 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCc2ccccc2)C[C@H]1C ZINC000002459396 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000002459417 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@H](c1cccs1)N(C)C2=O ZINC000002459418 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)N1CCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459419 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)N1CCCC1)[C@@H](c1cccs1)N(C)C2=O ZINC000002459420 HG Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2CC(=O)N1CCCC1 ZINC000002461859 HG Annotated Anodyne Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)N3CCCC3)c2=O)cc1C ZINC000002461870 HG Annotated Anodyne O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1 ZINC000002465406 HG Annotated Anodyne Cn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2c3ccccc3n(C)c2c1=O ZINC000002465425 HG Annotated Anodyne O=c1c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cc(F)ccc1F ZINC000002466760 HG Annotated Bother CCCN(CCC)C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21 ZINC000002466775 HG Annotated Anodyne Cc1sc2c(c1C)c(=O)n(-c1ccc(F)cc1)c(=O)n2CC(=O)NC1CCCC1 ZINC000002466837 HG Annotated Anodyne COc1cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2c(OC)cccc23)cc(OC)c1OC ZINC000002468542 HG Annotated Anodyne COc1cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2c(OC)cccc23)cc(OC)c1OC ZINC000002468543 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cn(C)c2ccccc12 ZINC000002468676 HG Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)cc1 ZINC000002480256 HG Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCOCCO)c1 ZINC000002480327 HG Annotated Anodyne O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480347 HG Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCOCCO ZINC000002483090 HG Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCOCCO)cc1 ZINC000002483154 HG Annotated Anodyne O=C(NCCO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483260 HG Annotated Bother COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000002483327 HG Annotated Anodyne COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483347 HG Annotated Bother COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000002483352 HG Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487138 HG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487139 HG Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487463 HG Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000002487466 HG Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487469 HG Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000002487471 HG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487781 HG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487783 HG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487785 HG Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(C)=O)CC(C)(C)O2 ZINC000002487787 HG Annotated Anodyne CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000002487825 HG Annotated Anodyne CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000002487832 HG Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000002487838 HG Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000002487840 HG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488114 HG Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488115 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489262 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489263 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489264 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCCCC1)O2 ZINC000002489265 HG Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489275 HG Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489276 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000002489481 HG Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492259 HG Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492261 HG Annotated Anodyne COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492317 HG Annotated Anodyne COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492318 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000002493089 HG Annotated Mild CS(=O)(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 ZINC000002493161 HG Annotated Anodyne CSCCc1nc2nc(N3CCN(c4c(C)cccc4C)CC3)ccc2[nH]c1=O ZINC000002499548 HG Annotated Anodyne CSCCc1nc2nc(N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2[nH]c1=O ZINC000002499683 HG Annotated Anodyne c1cnc2ccc([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020098565 HG Annotated Anodyne c1cnc2ccc([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@@H]4C3)cc2c1 ZINC000020098567 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)C[C@@H]3C)C[C@H]2C)c1 ZINC000020105529 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)C[C@@H]3C)C[C@@H]2C)c1 ZINC000020105531 HG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1 ZINC000020113580 HG Annotated Anodyne Cc1ccccc1C(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccccc1F)CC2 ZINC000020208124 HG Annotated Anodyne Cc1ccccc1C(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccccc1F)CC2 ZINC000020208128 HG Annotated Anodyne O=C1C[C@@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000020218669 HG Annotated Anodyne O=C1C[C@H](c2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000020218670 HG Annotated Anodyne O=C(CC[C@@]1(Cc2cccs2)CCC(=O)N1)NCc1cccc(-n2cccn2)c1 ZINC000020272245 HG Annotated Anodyne O=C(CC[C@]1(Cc2cccs2)CCC(=O)N1)NCc1cccc(-n2cccn2)c1 ZINC000020272248 HG Annotated Anodyne CCCN1CCN(C(=O)[C@@H]2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1 ZINC000020383626 HG Annotated Anodyne CCCN1CCN(C(=O)[C@H]2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1 ZINC000020383630 HG Annotated Anodyne CCOc1ccc2nc(N3CCC[C@@H](C(=O)N4CCN(CC)CC4)C3)sc2c1 ZINC000020383639 HG Annotated Anodyne CCOc1ccc2nc(N3CCC[C@H](C(=O)N4CCN(CC)CC4)C3)sc2c1 ZINC000020383644 HG Annotated Anodyne CCc1cc2c(cc3c(=O)n(CC(=O)NCc4ccccc4OC)nc(CC)n32)s1 ZINC000020384350 HG Annotated Anodyne CC[C@@]1(C)CC(=O)c2c(ccc3oc(C(=O)NCCCN4CCOCC4)c(C)c23)O1 ZINC000020418249 HG Annotated Anodyne CC[C@]1(C)CC(=O)c2c(ccc3oc(C(=O)NCCCN4CCOCC4)c(C)c23)O1 ZINC000020418252 HG Annotated Anodyne CCN1CCN(C(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020465215 HG Annotated Anodyne CCCN(c1ccccc1OC)S(=O)(=O)c1cc(Br)cnc1N ZINC000020467709 HG Annotated Anodyne OCC[C@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccsc1 ZINC000020481182 HG Annotated Anodyne C=CCOC(=O)[C@@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000200072696 HG Annotated Mild CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12c1ccccc1OC[C@@H]2CCN ZINC000200369475 HG Annotated Anodyne CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1ccccc1OC[C@H]2CCN ZINC000200371247 HG Annotated Anodyne CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12c1ccccc1OC[C@H]2CCN ZINC000200373168 HG Annotated Anodyne CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1ccccc1OC[C@@H]2CCN ZINC000200378646 HG Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548697 HG Annotated Mild COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C2=C1C(=O)C[C@@](C)(C(=O)OC(C)(C)C)C2 ZINC000200548728 HG Annotated Mild C=C[C@@]1(C)CC=C2[C@H](C1=O)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CC(=O)OC ZINC000200556150 HG Annotated Mild Cc1nc2ccc(S(=O)(=O)NCC(=O)N(C)Cc3ccccc3Cl)cc2s1 ZINC000201452229 HG Annotated Anodyne CCCCN1CCN(C2=NC(=O)N(c3ccc(Br)cc3)C(=O)C2)CC1 ZINC000201454928 HG Annotated Anodyne C=CCNC(=O)CN(C(=O)Cc1ccc(Cl)nc1)c1cccc(Br)c1 ZINC000201460879 HG Annotated Mild Cc1ccccc1N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000201467216 HG Annotated Anodyne Cc1ccccc1N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc12 ZINC000201467249 HG Annotated Anodyne O=C(O)c1ccc(-c2cccc(S(=O)(=O)N3CCC(c4cnco4)CC3)n2)cc1 ZINC000201754291 HG Annotated Anodyne CCCNC(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 ZINC000201993341 HG Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@@H](C(=O)O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000203188351 HG Annotated Anodyne CO[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C(C)(C)CC[C@H](OC(C)=O)[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000203403901 HG Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCCCC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464906 HG Annotated Mild O=C1COc2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1cccs1 ZINC000203465558 HG Annotated Anodyne O=C1COc2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1Cc1cccs1 ZINC000203465565 HG Annotated Anodyne CC(C)n1nnnc1[C@]1(C)Cn2nccc2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465743 HG Annotated Anodyne CC(C)n1nnnc1[C@@]1(C)Cn2nccc2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000203465749 HG Annotated Anodyne C=CCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466466 HG Annotated Mild C=CCN1C(=O)[C@H](CC(=O)NCc2cccs2)[C@@]2(C(=O)OCC)CCCC=C12 ZINC000203466480 HG Annotated Mild CN[C@H]1C[C@H]2c3[nH]c4cccc(-c5ccc6c(c5)OCO6)c4c3CCN2C[C@H]1[C@H](C)O ZINC000203467346 HG Annotated Anodyne CN[C@H]1C[C@H]2c3[nH]c4cccc(-c5cccc(F)c5)c4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000203467380 HG Annotated Anodyne CN[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203468698 HG Annotated Anodyne COC(=O)[C@@]12CCCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000203468936 HG Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469191 HG Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)NCc2cccs2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203469237 HG Annotated Mild COc1ccc(S[C@]2(C(=O)NC(C)C)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470051 HG Annotated Anodyne COc1ccc(S[C@]2(C(=O)NC3CC3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470073 HG Annotated Anodyne CCOC(=O)[C@@]12CCC3=C1N(CCC3)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000203472322 HG Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCc1cccs1)C2 ZINC000203472474 HG Annotated Anodyne CCOC(=O)[C@]12CCCC3=C1N(CCC3)C(=O)[C@@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000203472542 HG Annotated Anodyne CCOC(=O)[C@@]12CCCC3=C1N(CCC3)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000203472571 HG Annotated Anodyne C=C1[C@H](Cl)[C@@](O)(CCC[C@]2(OC)C[C@H](C)[C@H](CC(=O)OC)OO2)O[C@@H]1CC ZINC000203525734 HG Annotated Reactive CCC[C@H]1COC(=O)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1 ZINC000203744348 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)c1 ZINC000204408699 HG Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cccc(C(=O)N3CCSCC3)c2)ccc1F ZINC000204416878 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 ZINC000204646893 HG Annotated Anodyne N#C[C@H]1C[C@@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 ZINC000204984002 HG Annotated Mild N#C[C@H]1C[C@H](N2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1 ZINC000204984043 HG Annotated Mild Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000020502286 HG Annotated Anodyne Cc1ccccc1CNCc1cccn1-c1nnc(N2CCC(C(=O)O)CC2)s1 ZINC000020576269 HG Annotated Anodyne CCCN1CCN(C(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)CC1 ZINC000020579323 HG Annotated Anodyne Cc1nn(-c2cccc(F)c2)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)N1CCCC1 ZINC000020597992 HG Annotated Anodyne Cc1nonc1CN(C)c1ccc(C(=O)N(C)Cc2ccc3ccccc3n2)cn1 ZINC000020776093 HG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)C1 ZINC000020847725 HG Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)C1 ZINC000020847728 HG Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)C1 ZINC000020847734 HG Annotated Anodyne CNC(=O)[C@@H]1C[C@H](NC2CCCCCCC2)CN1Cc1cccc(OC)c1OC ZINC000020863632 HG Annotated Anodyne O=C(Nc1ccccc1)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000020916595 HG Annotated Anodyne Cn1cc(CCNC(=O)CCN2Cc3ccccc3O[C@H](c3ccccc3)C2)cn1 ZINC000020993668 HG Annotated Anodyne Cn1cc(CCNC(=O)CCN2Cc3ccccc3O[C@@H](c3ccccc3)C2)cn1 ZINC000020993672 HG Annotated Anodyne Cc1cccn2c(CN3CCC[C@@H](c4ccccc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020996469 HG Annotated Anodyne Cc1cccn2c(CN3CCC[C@H](c4ccccc4)C3)c(C(=O)N3CCOCC3)nc12 ZINC000020996471 HG Annotated Anodyne C/C(=N\O)c1ccc2nnc(Sc3ccc4ncc(N5CCOCC5)cc4c3)n2c1 ZINC000205009320 HG Annotated Mild Cc1ncc2c(-c3ncc4c(n3)NC(=O)C4(C)C)nn(Cc3cccc(F)c3F)c2n1 ZINC000205093274 HG Annotated Anodyne CC1(C)C(=O)Nc2nc(-n3nc(Cc4ccccc4F)c4cc(F)ccc43)nnc21 ZINC000205097499 HG Annotated Anodyne COc1ccc(NC(=O)c2csc(N3CCN(Cc4ccccc4)C3=O)n2)cn1 ZINC000205209210 HG Annotated Anodyne Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3cccc(Cl)c3)OC2=NC1=O ZINC000205209569 HG Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)NCCCc3ccccc3)=COC2=NC1=O ZINC000205209602 HG Annotated Anodyne COc1cc(NC(=O)C[C@@]2(C)N=C(c3cc(F)ccc3F)N(C)O2)cc(OC)c1 ZINC000205210144 HG Annotated Anodyne COc1cc(NC(=O)C[C@]2(C)N=C(c3cc(F)ccc3F)N(C)O2)cc(OC)c1 ZINC000205210160 HG Annotated Anodyne O=C(NCc1ccccc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000205212149 HG Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)N[C@@H]3CCc4ccccc43)=COC2=NC1=O ZINC000205212299 HG Annotated Anodyne Cc1ccccc1CN1CCN2C(C(=O)N[C@H]3CCc4ccccc43)=COC2=NC1=O ZINC000205212314 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(CCc3ccccc3)C2=O)o1 ZINC000205215761 HG Annotated Anodyne O=C1COCc2ccc(-c3cnc4ccccc4c3)cc2N1CCN1CCOCC1 ZINC000205218074 HG Annotated Anodyne O=C1COCc2ccc(-c3cc(F)cc(Cl)c3)cc2N1CCN1CCOCC1 ZINC000205218565 HG Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)c1cnc(N2CCN(Cc3ccccc3)C2=O)o1 ZINC000205219008 HG Annotated Anodyne O=C1N=C2OC(C(=O)N3CCCCC3)=CN2CCN1Cc1ccccc1C(F)(F)F ZINC000205219489 HG Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000205220785 HG Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000205220802 HG Annotated Anodyne O=C1COCc2cc(-c3ccc(F)c(Cl)c3)ccc2N1CCN1CCOCC1 ZINC000205221152 HG Annotated Anodyne O=C1COCc2cc(-c3cnc4ccccc4c3)ccc2N1CCN1CCOCC1 ZINC000205224192 HG Annotated Anodyne CC(C)Oc1cccc(-c2ccc3c(c2)COCC(=O)N3CCN2CCOCC2)c1 ZINC000205224292 HG Annotated Anodyne O=C(NCCCc1ccccc1)C1=COC2=NC(=O)N(Cc3ccc(F)cc3)CCN12 ZINC000205224472 HG Annotated Anodyne O=C1COCc2cc(-c3cc(F)cc(Cl)c3)ccc2N1CCN1CCOCC1 ZINC000205224540 HG Annotated Anodyne O=C1COCc2ccc(-c3ccc(F)c(Cl)c3)cc2N1CCN1CCOCC1 ZINC000205226445 HG Annotated Anodyne O=C(NCCc1ccccc1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000205226503 HG Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)NCCCc3ccccc3)OC2=NC1=O ZINC000205227116 HG Annotated Anodyne CN1O[C@@](C)(CC(=O)NCc2ccccc2)N=C1c1cccc(Br)c1 ZINC000205227547 HG Annotated Anodyne CN1O[C@](C)(CC(=O)NCc2ccccc2)N=C1c1cccc(Br)c1 ZINC000205227567 HG Annotated Anodyne CN1O[C@@](C)(CC(=O)NCc2ccc(N(C)C)cc2)N=C1c1cccc(Cl)c1 ZINC000205231814 HG Annotated Clean CN1O[C@](C)(CC(=O)NCc2ccc(N(C)C)cc2)N=C1c1cccc(Cl)c1 ZINC000205231830 HG Annotated Clean CC(C)Oc1cccc(-c2ccc3c(c2)N(CCN2CCOCC2)C(=O)COC3)c1 ZINC000205231913 HG Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1 ZINC000205232051 HG Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 ZINC000205232065 HG Annotated Anodyne Cc1noc(C)c1CN1CCN2C(C(=O)Nc3cccc(Cl)c3)=COC2=NC1=O ZINC000205233268 HG Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c(OC)c1 ZINC000205234238 HG Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c(OC)c1 ZINC000205234250 HG Annotated Anodyne COc1ccc(C(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c(OC)c1 ZINC000205234264 HG Annotated Anodyne COc1ccc(C(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c(OC)c1 ZINC000205234276 HG Annotated Anodyne O=C(NCCCc1ccccc1)C1=CN2CCN(Cc3ccc(F)cc3)C(=O)N=C2O1 ZINC000205234662 HG Annotated Anodyne N#Cc1cccc(CN2CCN3C(C(=O)Nc4cccc(Cl)c4)=COC3=NC2=O)c1 ZINC000205235208 HG Annotated Mild Cc1ccccc1CN1CCN2C=C(C(=O)N[C@@H]3CCc4ccccc43)OC2=NC1=O ZINC000205235273 HG Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)N[C@H]3CCc4ccccc43)OC2=NC1=O ZINC000205235290 HG Annotated Anodyne O=c1n(Cc2nc3cc(Cl)ccn3c2CCCCO)c2cnccc2n1C1CC1 ZINC000205345247 HG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc(=O)n(C)c3)c2cn1)c1ccc(F)cc1 ZINC000205426825 HG Annotated Anodyne COCCN(Cc1cccnc1)C(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 ZINC000205447445 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H]2COc2nc3cccnc3cc2-c2cnn(CCO)c2)nc1 ZINC000205511026 HG Annotated Anodyne Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1O[C@H]1CCNC1 ZINC000205518490 HG Annotated Anodyne COC(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000205700838 HG Annotated Reactive Cc1ccccc1CN1CCN2C(C(=O)NCc3cccc(Cl)c3)=COC2=NC1=O ZINC000205773304 HG Annotated Anodyne COc1cc(C)c2c(c1C=O)Oc1cc(OC(C)=O)c(OC(C)=O)c(C)c1OC2=O ZINC000205840284 HG Annotated Anodyne CCOC(=O)[C@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858390 HG Annotated Anodyne CCOC(=O)[C@@H](Nc1ccccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)C ZINC000205858410 HG Annotated Anodyne COc1ccc([C@@H](c2nc3ccccc3[nH]2)N(CCO)C(=O)c2ccncc2)cc1 ZINC000205860904 HG Annotated Anodyne COc1ccc([C@H](c2nc3ccccc3[nH]2)N(CCO)C(=O)c2ccncc2)cc1 ZINC000205860923 HG Annotated Anodyne COc1ccc([C@@H](c2nc3ccccc3[nH]2)N(CCO)C(=O)c2cccnc2)cc1 ZINC000205860985 HG Annotated Anodyne COc1ccc([C@H](c2nc3ccccc3[nH]2)N(CCO)C(=O)c2cccnc2)cc1 ZINC000205861003 HG Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H](C(C)=O)C(=O)Nc2c(C)cccc2C)cc1OC ZINC000205862574 HG Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H](C(C)=O)C(=O)Nc2c(C)cccc2C)cc1OC ZINC000205862594 HG Annotated Anodyne CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1 ZINC000206001332 HG Annotated Anodyne O=C(NCc1ccccc1)C1=CN2CCN(Cc3cccc(Cl)c3)C(=O)N=C2O1 ZINC000206017750 HG Annotated Anodyne C[C@H](C(=O)NCCOc1ccccc1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O ZINC000206019040 HG Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)c1 ZINC000206020086 HG Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000206020109 HG Annotated Anodyne COc1ccc(CC(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@@H]3C2)cc1OC ZINC000206020236 HG Annotated Anodyne COc1ccc(CC(=O)N2C[C@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1OC ZINC000206020262 HG Annotated Anodyne COc1ccc(CC(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1OC ZINC000206020285 HG Annotated Anodyne COc1ccc(CC(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1OC ZINC000206020308 HG Annotated Anodyne C=CCNC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000206024537 HG Annotated Mild COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)CC(=O)N2C(=O)/C=C/c2ccccc2)cc1 ZINC000206025316 HG Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)[C@@H]1CCOC1 ZINC000206039994 HG Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)[C@H]1CCOC1 ZINC000206040014 HG Annotated Anodyne CCC[C@H]1[C@@H](NC(=O)NCCCC(=O)OCC)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206044323 HG Annotated Anodyne CN1C(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21 ZINC000206045376 HG Annotated Anodyne CN1C(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21 ZINC000206045400 HG Annotated Anodyne CN1C(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21 ZINC000206045429 HG Annotated Anodyne CN1C(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccccc3)c3cc(F)ccc32)c2ccccc21 ZINC000206045450 HG Annotated Anodyne O=C(NCCc1ccccc1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 ZINC000206059398 HG Annotated Anodyne CC[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127606 HG Annotated Anodyne CC[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 ZINC000206127634 HG Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)C[C@@H]12 ZINC000206392959 HG Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccc4ccccc34)C(=O)C[C@H]12 ZINC000206392994 HG Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@H](O)[C@@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000206411639 HG Annotated Anodyne COC1=CC2(C=C(OC)C1=O)c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@@H]1C ZINC000206419628 HG Annotated Mild COC1=CC2(C=C(OC)C1=O)c1c(cc3c(c1OC)OCO3)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C ZINC000206419664 HG Annotated Mild CCn1cc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(=O)c2ccc(C)nc21 ZINC000206491200 HG Annotated Anodyne CC(=O)O[C@@H]1C(CO[Si](C)(C)C(C)(C)C)=C(Br)C(=O)[C@H]2O[C@@]21C ZINC000206874596 HG Annotated Reactive CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2C3CC4CC(C3)CC2C4)cc1F ZINC000206980367 HG Annotated Anodyne C=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C=O)c1ccc(O)cc12 ZINC000207071121 HG Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC(=O)C(C)(C)[C@H]4CC(=O)[C@@]3([C@@H]1OC(C)=O)[C@@H]2OC(C)=O ZINC000207627388 HG Annotated Mild CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1ccc(O)cc1 ZINC000207734894 HG Annotated Anodyne CN1C=CN(CCCN(Cc2ccccc2)S(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000209141248 HG Annotated Anodyne CC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000209209443 HG Annotated Mild CC(=O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C\c2ccc(O)c(O)c2)oc1=O ZINC000209209477 HG Annotated Mild CC(=O)/C(=C/c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000209209512 HG Annotated Mild O=C(Nc1ccc(C(F)(F)F)cn1)C1CCN(c2ccnc3nsnc23)CC1 ZINC000209454871 HG Annotated Anodyne O=C(O)C[C@@H]1Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 ZINC000210025668 HG Annotated Clean Cc1cc(=O)c2c(O)cc(O)c([C@H]3CCNC[C@H]3OC(=O)/C=C/c3ccccc3)c2o1 ZINC000210918281 HG Annotated Anodyne N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cn2c1 ZINC000210929295 HG Annotated Mild N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cccc2o1 ZINC000210942613 HG Annotated Mild Cc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)c2cc(C#N)[nH]c2c1 ZINC000211017100 HG Annotated Mild N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cc2[nH]1 ZINC000211017141 HG Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000212145659 HG Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000212145792 HG Annotated Anodyne CN(C)C(=O)[C@@H]1CC[C@@](NC(=O)OCc2ccccc2)(C(C)(C)C)[C@@H](NC(=O)O)C1 ZINC000212737553 HG Annotated Anodyne CN(C)C(=O)[C@@H]1CC[C@](NC(=O)OCc2ccccc2)(C(C)(C)C)[C@@H](NC(=O)O)C1 ZINC000212737614 HG Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccccc2Cl)[C@H]1NC(C)=O ZINC000213841751 HG Annotated Anodyne O=C1NN[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)[C@@H]2CCCC[C@H]12 ZINC000214086638 HG Annotated Anodyne O=C1NN[C@H](C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)[C@H]2CCCC[C@H]12 ZINC000214086770 HG Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc(N/N=C/c3cccc(O)c3)nc(N3CCCC3)n2)cc1 ZINC000021964871 HG Annotated Mild N#Cc1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(Br)cc3)CC2)cc1 ZINC000215284090 HG Annotated Mild COCCN1CCC[C@@H]1c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215505928 HG Annotated Anodyne COCCN1CCC[C@H]1c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000215505972 HG Annotated Anodyne Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1 ZINC000215756587 HG Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCc2cc(C(N)=O)sc2-3)no1 ZINC000215763367 HG Annotated Mild C[C@@H]1COc2ccc(C#C[C@@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000215776296 HG Annotated Mild C[C@H]1COc2ccc(C#C[C@@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 ZINC000215776344 HG Annotated Mild CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCC3(CC2)CC3)cc1F ZINC000216199441 HG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCCC2)cc1F ZINC000216200784 HG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCC2CCCCC2)cc1F ZINC000216200852 HG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCCCC2CCCC2)cc1F ZINC000216201942 HG Annotated Anodyne CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(F)CCCCC2)cc1F ZINC000216202080 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 ZINC000216204782 HG Annotated Anodyne Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C(C)C)c(=O)[nH]1 ZINC000216236942 HG Annotated Anodyne COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCCCC2)cc1F ZINC000216242083 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC2CCCCC2)cc1F ZINC000216242153 HG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCC(F)(F)CC2)cc1F ZINC000216244359 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(COC2CCCCC2)cc1F ZINC000216255962 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@@H]2C3)cc1F ZINC000216256824 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@@H]2C3)cc1F ZINC000216256871 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3)cc1F ZINC000216256910 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@]23CCCC[C@H]2C3)cc1F ZINC000216256957 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1F ZINC000216260407 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F ZINC000216260497 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCC3(CC2)CC3)cc1F ZINC000216270702 HG Annotated Anodyne CCn1cc(OC[C@@]2(c3ccccc3)C[C@@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1 ZINC000216875179 HG Annotated Mild CCn1cc(OC[C@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1 ZINC000216875227 HG Annotated Mild CCn1cc(OC[C@@]2(c3ccccc3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1 ZINC000216875271 HG Annotated Mild Cc1cn2cc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)ccc2n1 ZINC000217445274 HG Annotated Anodyne Cc1cn2cc(-c3ccc4c(c3)[C@]3(COC(N)=N3)C3(COC3)C3(CCC3)O4)ccc2n1 ZINC000217445355 HG Annotated Anodyne Cn1cnc2ccc(-c3ccnc(NC[C@H](O)CN4CCc5ccccc5C4)c3)cc21 ZINC000218392488 HG Annotated Anodyne in-vitro CCNC(=O)N1CCCC[C@@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000218789960 HG Annotated Anodyne CCNC(=O)N1CCCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C ZINC000218790039 HG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(Cc3ccccc3)cc21 ZINC000219006955 HG Annotated Anodyne CC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cc3ccccc3)cc21 ZINC000219018687 HG Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(C3CCCCC3)cc21 ZINC000219021651 HG Annotated Anodyne CN1CCC2(CC1)CC(c1ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c1)C2 ZINC000219289470 HG Annotated Mild CN1CCC2(C=C(c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)C2)CC1 ZINC000219289627 HG Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1ccc(Cl)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219292939 HG Annotated Mild N#C[C@@H](Cc1ccc2c(c1)c(=O)[nH]c1ccc(Cl)cc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219292968 HG Annotated Mild CC(C)N1CCC(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)CC1 ZINC000219302914 HG Annotated Mild N#C[C@H](Cc1ccc(-c2ccc(Cl)nc2)cc1F)NC(=O)[C@H]1N[C@H]2C[C@@H]1[C@@H]1C[C@H]21 ZINC000219311592 HG Annotated Mild CCc1ncc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@H]4C[C@@H]3[C@@H]3C[C@H]43)c(F)c2)s1 ZINC000219319881 HG Annotated Mild Cn1nc2ccccc2c1-c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000219321326 HG Annotated Mild N#C[C@H](Cc1ccc2c(c1)c(=O)[nH]c1cc(Cl)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322029 HG Annotated Mild N#C[C@@H](Cc1ccc2c(c1)c(=O)[nH]c1cc(Cl)ccc12)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322059 HG Annotated Mild CC(C)Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000219323402 HG Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1 ZINC000219421754 HG Annotated Mild CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C(F)(F)F ZINC000219451053 HG Annotated Mild CC(C)N(C)Cc1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC(C)(C)O)cc1-2 ZINC000219514703 HG Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3cccnc3)nc(N3CCOCC3)c2CO1 ZINC000219518711 HG Annotated Mild CC1(C)Cc2c(C#N)c(SCCc3ccccn3)nc(N3CCOCC3)c2CO1 ZINC000219518808 HG Annotated Mild CCN(c1cc(Cl)cc(C(=O)NCc2ccc[nH]c2=O)c1C)C1CCOCC1 ZINC000219599419 HG Annotated Anodyne O=C1C[C@@H](N2CCc3ccccc3C2)NC(=O)N1c1ccc(Br)cc1 ZINC000219731859 HG Annotated Anodyne O=C1C[C@H](N2CCc3ccccc3C2)NC(=O)N1c1ccc(Br)cc1 ZINC000219731931 HG Annotated Anodyne COc1ncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)cn1 ZINC000219762312 HG Annotated Anodyne Cc1cc(C#N)cnc1Nc1cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn1 ZINC000219887192 HG Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219952742 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219952882 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953782 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958580 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960565 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 ZINC000219962687 HG Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1ccc(O)cc1 ZINC000219962798 HG Annotated Anodyne in-vitro C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022458133 HG Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000022458139 HG Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022458145 HG Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCN(C)CC1 ZINC000022458151 HG Annotated Anodyne Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220159686 HG Annotated Anodyne Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000220159744 HG Annotated Anodyne O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2ccsc12 ZINC000220170561 HG Annotated Anodyne CCOc1c2c(nn1C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220179678 HG Annotated Anodyne CCOc1c2c(nn1C)C(=O)N(c1cc(C)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220179742 HG Annotated Anodyne O=C(O)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)cc1 ZINC000220185908 HG Annotated Anodyne O=C(O)c1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)cc1 ZINC000220185980 HG Annotated Anodyne Cc1c2c(nn1C)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000220339983 HG Annotated Anodyne Cc1c2c(nn1C)C(=O)N(c1cc(Cl)c(=O)n(C)c1)[C@H]2c1ccc(Cl)cc1 ZINC000220340040 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC[C@H](O)C(=O)O)C2=O)cc1 ZINC000220569063 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CC[C@@H](O)C(=O)O)C2=O)cc1 ZINC000220569128 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)O)[C@@H](C)O)C2=O)cc1 ZINC000220628359 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)O)[C@@H](C)O)C2=O)cc1 ZINC000220628413 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)O)[C@H](C)O)C2=O)cc1 ZINC000220628479 HG Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)O)[C@H](C)O)C2=O)cc1 ZINC000220628536 HG Annotated Anodyne N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)ncc(F)c2c1 ZINC000220652607 HG Annotated Mild Cn1cc2ccnc(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)c2n1 ZINC000220653417 HG Annotated Anodyne FCc1nnc(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)s1 ZINC000220699400 HG Annotated Anodyne in-vitro O=[P@@](O)(CCO)OCC#CC#CCCCCCC/C=C/I ZINC000221041077 HG Annotated Mild O=C(c1nc2ccccc2[nH]1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221041322 HG Annotated Anodyne Cc1nc2sccn2c1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221042359 HG Annotated Anodyne Cn1c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21 ZINC000221043378 HG Annotated Anodyne Cc1cc(C)nc(N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1 ZINC000221062338 HG Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 ZINC000221062992 HG Annotated Anodyne CCc1cc2c(C)c(-c3ccc(C(=O)N4CCOCC4)cc3)c(=O)oc2c(C=O)c1O ZINC000221072056 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(N3CCN(C)CC3)cc2)n1 ZINC000221120499 HG Annotated Clean CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(N3CCN(C)CC3)cc2)n1 ZINC000221120554 HG Annotated Clean CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000221130659 HG Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)n1 ZINC000221130726 HG Annotated Anodyne C[C@@](O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cn1)C(F)(F)F ZINC000221152453 HG Annotated Mild C[C@](O)(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)cc2C(N)=O)cn1)C(F)(F)F ZINC000221152513 HG Annotated Mild N#C[C@H]1C[C@@H](N2CC3(CCC3)C2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1 ZINC000221173741 HG Annotated Mild c1ccc(C[C@@H]2CN(c3nccc(Oc4ccc(-n5ccnc5)cc4)n3)CCN2)cc1 ZINC000221356423 HG Annotated Anodyne C=CCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O ZINC000221366298 HG Annotated Mild C=CCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ccccc3O2)nc1=O ZINC000221366354 HG Annotated Mild CCc1cc2c(C)c(-c3ccc(C(=O)NCCOC)cc3)c(=O)oc2c(C=O)c1O ZINC000221405022 HG Annotated Anodyne O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Cl)cc1)[C@H]([N+](=O)[O-])[C@H]1CSCN12 ZINC000221599061 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1ccc(Cl)cc1)[C@@H]([N+](=O)[O-])[C@H]1CSCN12 ZINC000221599138 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1cccc(Cl)c1)[C@H]([N+](=O)[O-])[C@H]1CSCN12 ZINC000221599455 HG Annotated Bother O=C1Nc2ccccc2[C@@]12[C@H](c1cccc(Cl)c1)[C@@H]([N+](=O)[O-])[C@H]1CSCN12 ZINC000221599508 HG Annotated Bother C[C@H](O)c1cccc(NC(=O)[C@H]2Sc3nc4cc5c(cc4cc3[C@H]2N)OCCO5)c1 ZINC000221684183 HG Annotated Anodyne C[C@H](O)c1cccc(NC(=O)[C@@H]2Sc3nc4cc5c(cc4cc3[C@H]2N)OCCO5)c1 ZINC000221684305 HG Annotated Anodyne CC1(C)OB(c2ccc(COC(=O)N(CCCl)CCCl)cc2)OC1(C)C ZINC000221736837 HG Annotated Reactive Cc1nnc(N2CCN(c3ncnc4sc(CC(F)(F)F)cc34)CC2)s1 ZINC000221777222 HG Annotated Anodyne in-vitro C[N+]1([C@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCC1 ZINC000221848073 HG Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)c(F)c2)n1 ZINC000221853507 HG Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@@H](C#N)C1 ZINC000221855419 HG Annotated Mild CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@@H](C#N)C1 ZINC000221855615 HG Annotated Mild COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(C)nc4)cc23)CC1 ZINC000221887767 HG Annotated Anodyne COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4ccc(OC)cc4)cc23)CC1 ZINC000221887914 HG Annotated Anodyne CCc1ccccc1OCCN[C@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000221928784 HG Annotated Anodyne Fc1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)c(Cl)c1 ZINC000222035136 HG Annotated Mild Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCC(F)F)[nH]c12 ZINC000222324877 HG Annotated Anodyne O=c1nc(Oc2cnn([C@@H]3CCCN(Cc4ccccc4)C3)c2)[nH]c2cnccc12 ZINC000222624959 HG Annotated Anodyne COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4CC(F)(F)F)n2)CC1 ZINC000222712666 HG Annotated Anodyne COC1(CCN)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 ZINC000222729835 HG Annotated Anodyne in-vitro Cc1nc2cnc(Nc3ccnc(NCC(C)(C)S(C)(=O)=O)n3)cc2n1C(C)C ZINC000222752073 HG Annotated Anodyne in-vitro CCCC(CCC)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O ZINC000222923153 HG Annotated Anodyne CN(C)[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222974465 HG Annotated Mild CN(C)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)cc3)n2)[C@@H](C#N)C1 ZINC000222974716 HG Annotated Mild C[N+]1([C@@H]2CC[C@H](n3cc(C(N)=O)c(Nc4ccc(Cl)cc4)n3)[C@@H](C#N)C2)CCC1 ZINC000222981961 HG Annotated Mild O=C1CN(CC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)CCN1 ZINC000223005590 HG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(/C=C/C(=O)Cc2c[nH]c3ccccc23)c1O ZINC000223254841 HG Annotated Mild in-vitro O=C(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)c1ccco1 ZINC000223672253 HG Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(C#CCO)csc12)Cc1ccccc1 ZINC000223672500 HG Annotated Mild Cc1c(C(N)=O)sc2nc(-c3ccncc3)nc(NC[C@@H](N)Cc3ccccc3)c12 ZINC000223674590 HG Annotated Anodyne CC(C)(C)NC(=O)Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 ZINC000223677944 HG Annotated Anodyne Fc1cnc(Nc2cnccn2)cc1-c1nc(N[C@@H]2CCNC2)c2sccc2n1 ZINC000223678586 HG Annotated Anodyne Fc1c(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccnc1Nc1cnccn1 ZINC000223678768 HG Annotated Anodyne Cc1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)nn1 ZINC000223678937 HG Annotated Anodyne N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cnc[nH]1 ZINC000223681322 HG Annotated Anodyne CNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223690459 HG Annotated Anodyne c1cncc(CCNc2ccc3ncc(-c4ccc(N5CCOCC5)cc4)n3n2)c1 ZINC000223808026 HG Annotated Anodyne CC1(C)C(=O)Nc2nc(-c3nn(Cc4ncccc4F)c4cc(Cl)ccc34)nnc21 ZINC000223808215 HG Annotated Anodyne Cc1c(C(=O)N(C)C)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn12 ZINC000224395030 HG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CCCCC3)c2F)cn1 ZINC000224548782 HG Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CCCCC3)c2F)cn1 ZINC000224548832 HG Annotated Anodyne CS(=O)(=O)c1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 ZINC000224555816 HG Annotated Anodyne C[C@@H](CC#N)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224703527 HG Annotated Mild C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1)C(F)(F)F ZINC000224719528 HG Annotated Anodyne CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224728214 HG Annotated Anodyne CC(C)(CN)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224742472 HG Annotated Anodyne CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)nc2)nc1 ZINC000224748452 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3cnccn3)cc2F)cn1 ZINC000224754444 HG Annotated Anodyne CC(C)(CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 ZINC000224754686 HG Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)nc1)C(F)(F)F ZINC000224777194 HG Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccccc1-c1cnc(-c2cnc(N)nc2)c(F)c1 ZINC000224778915 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3ccncn3)cc2F)cn1 ZINC000224780887 HG Annotated Anodyne CC(C)(CN)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224784931 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C3CC3)C3CC3)cn2)cn1 ZINC000224785327 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(N)(=O)=O)cc2F)cn1 ZINC000224785464 HG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCCC3)cc2F)cn1 ZINC000224788897 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3NS(=O)(=O)N3CCCC3)cc2F)cn1 ZINC000224797979 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)c3ncccn3)cc2F)cn1 ZINC000224799340 HG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3SCC(=O)N3CCOCC3)cc2F)cn1 ZINC000224799393 HG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)c3ncccn3)cc2F)cn1 ZINC000224802959 HG Annotated Anodyne Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3S(N)(=O)=O)cc2F)cn1 ZINC000224813597 HG Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCCC3)cn2)cn1 ZINC000224846076 HG Annotated Anodyne CN1CCN([C@@H](c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccccc2)CC1 ZINC000022585556 HG Annotated Anodyne CN1CCN([C@H](c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccccc2)CC1 ZINC000022585560 HG Annotated Anodyne Cc1ccc(-c2[nH]n(-c3ccccc3)c3nc(=O)c(CNCCN(C)C)cc2-3)cc1 ZINC000022796943 HG Annotated Anodyne CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN2CCC[C@H]2C1 ZINC000022860700 HG Annotated Anodyne Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(=O)C(C)C)CC3)=C(O)C2)cc1 ZINC000022922793 HG Annotated Mild OCCN1CCN([C@@H]2Cn3cccc3Sc3ccc(Br)cc32)CC1 ZINC000022925279 HG Annotated Anodyne OCCN1CCN([C@H]2Cn3cccc3Sc3ccc(Br)cc32)CC1 ZINC000022925283 HG Annotated Anodyne CNC[C@H](CC1CCCCC1)NC[C@H](CO)NCCc1cccc(C(F)(F)F)c1 ZINC000022938863 HG Annotated Anodyne COc1cc(C#N)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225042628 HG Annotated Mild N#Cc1cccc(COc2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c1 ZINC000225043864 HG Annotated Mild COc1ccc(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225046144 HG Annotated Mild COc1ncc(F)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225056568 HG Annotated Anodyne COc1cc(C#N)ccc1-c1cncc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225059897 HG Annotated Mild Cn1ncc2cccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c21 ZINC000225067732 HG Annotated Anodyne COc1cc(C#N)ccc1-c1nncc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225070844 HG Annotated Mild COc1cc(C#N)ccc1-c1ncnc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225071531 HG Annotated Mild COc1cc(C#N)ccc1-c1ccnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225082857 HG Annotated Mild CS(=O)(=O)NC(=O)c1cc(Cl)c(OC2[C@H]3CC4C[C@H]2CC(F)(C4)C3)cc1F ZINC000225247600 HG Annotated Anodyne N#Cc1cnc2c(c1)CC[C@H]2Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000225700065 HG Annotated Mild Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000226033380 HG Annotated Anodyne Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226033985 HG Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCCN5CCCC5=O)n4)ccnc3[nH]2)CC1 ZINC000226036543 HG Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226042621 HG Annotated Anodyne Cc1ccc(-n2ccc(C)n2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226043350 HG Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000226052672 HG Annotated Anodyne O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1 ZINC000226054364 HG Annotated Anodyne Cc1ccc(-c2nc(C)no2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccc(F)cn2)C3)n1 ZINC000226058102 HG Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)on1 ZINC000226064349 HG Annotated Anodyne Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ncc(F)cn2)C3)n1 ZINC000226064977 HG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(C(=O)CO)C[C@@H]4C3)cc12 ZINC000226065789 HG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(C(=O)CO)C[C@@H]4C3)cc12 ZINC000226065801 HG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@@H]4CN(C(=O)CO)C[C@H]4C3)cc12 ZINC000226065815 HG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=C[C@H]4CN(C(=O)CO)C[C@H]4C3)cc12 ZINC000226065828 HG Annotated Anodyne COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(S(C)(=O)=O)CC3)cc12 ZINC000226069322 HG Annotated Anodyne CS(=O)(=O)N1CC=C(c2cc3c(-c4cccc(NCC5CC5)n4)ccnc3[nH]2)CC1 ZINC000226070674 HG Annotated Anodyne CN1CCC(c2cc3c(-c4cccc(NCCN5CCOCC5)n4)ccnc3[nH]2)CC1 ZINC000226077658 HG Annotated Anodyne N#Cc1cnc2c(Nc3ccc(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2c1 ZINC000226080966 HG Annotated Mild Cc1cc(C(F)F)cnc1C(=O)Nc1cnc(F)c([C@@]2(CF)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226086804 HG Annotated Anodyne NC1=N[C@@](c2cc(N3Cc4cc(Cl)cnc4C3=O)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226087028 HG Annotated Anodyne N#Cc1cnc2c(c1)CC[C@@H]2Nc1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226108337 HG Annotated Mild Cc1ccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4Cl)C[C@@]34C=C[C@H]2O4)cc1 ZINC000227269971 HG Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4Cl)C[C@@]34C=C[C@H]2O4)cc1 ZINC000227269980 HG Annotated Anodyne COc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000023157121 HG Annotated Anodyne CCS(=O)(=O)N[C@@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182028 HG Annotated Anodyne CCS(=O)(=O)N[C@H](C)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182032 HG Annotated Anodyne CCS(=O)(=O)N[C@@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182037 HG Annotated Anodyne CCS(=O)(=O)N[C@H](C)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 ZINC000023182040 HG Annotated Anodyne CCn1cc(CN2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 ZINC000023368492 HG Annotated Anodyne CCn1cc(CN2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)cn1 ZINC000023368496 HG Annotated Anodyne C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000230080361 HG Annotated Mild in-man C=C1COC(=O)[C@@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000230080366 HG Annotated Mild in-man C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000230080372 HG Annotated Mild in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000230083568 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000230083573 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000230083577 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000230083868 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000230083872 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000230083879 HG Annotated Anodyne in-man COC1=C[C@@H](C)[C@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@@H]1OC ZINC000230097718 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)[C@@H]1OC ZINC000230097725 HG Annotated Mild in-man N#CC1(c2cc(C[C@@H](O)CO)cc(-c3ccnc4n[nH]c(C(F)(F)F)c34)c2)CC1 ZINC000230463554 HG Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)OC)CCC[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000231148734 HG Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C(=O)C[C@H]2C1)[C@@H]1CCC(=O)[C@@]1(C)C[C@H]3OC(C)=O ZINC000238730893 HG Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(OCO)c(OCO)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000238731698 HG Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@](C)(O)C=C[C@@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O ZINC000238731746 HG Annotated Anodyne CC[C@@H](C)[C@H]1C=C[C@@H]2[C@@H]([C@H]1C(C)=O)[C@H](C)C[C@@H](OC(=O)/C=C(\C)CC(=O)O)[C@H]2O ZINC000238731779 HG Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(COC(C)=O)[C@H]3Cc4occc4[C@H](C)[C@@H]3C[C@@H](O)[C@@H]12 ZINC000238731918 HG Annotated Anodyne CC(=O)O[C@@H](C[C@H](CO)[C@]1(C)C[C@@H]2OC(=O)[C@@H]3CCC[C@H](O1)[C@]23C)c1ccoc1 ZINC000238733561 HG Annotated Anodyne COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC[C@](C)(O)[C@@H](CO)OC(C)=O ZINC000238733748 HG Annotated Anodyne COC(=O)/C=C(/C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C ZINC000238734463 HG Annotated Anodyne COC(=O)n1c2c(c3ccccc31)CCN1C[C@@H]3[C@H](C)O[C@H](OC(C)=O)C[C@H]3C[C@@H]21 ZINC000238734560 HG Annotated Anodyne CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(O/C=C/C(C)C)cc2)(SC)C(=O)N1C ZINC000238734935 HG Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](OC(C)=O)[C@H](O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238735021 HG Annotated Anodyne COc1c(O)ccc(C[C@@H]2CO[C@H](O)[C@H]2c2cc(O)cc(O)c2)c1-c1ccc(O)cc1 ZINC000238735095 HG Annotated Anodyne C=C1COC(=O)[C@@]12C[C@]1(C)[C@H]([C@@H]2OC(C)=O)[C@H](OC(=O)/C=C/SC)CC[C@H]1C ZINC000238736440 HG Annotated Mild CC(=O)[C@@H](Cn1cc2c3c(c(-c4ccccc4)ccc3c1=O)C(=O)C(O)=C2)C(=O)O ZINC000238736768 HG Annotated Mild CC(C)C[C@@](O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1 ZINC000238736797 HG Annotated Anodyne CNCCOC(=O)/C=C1/CC[C@H]2[C@@H](C(=O)C[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238737195 HG Annotated Anodyne C=C[C@@]1(C)CC[C@H]2[C@@]3(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)[C@@H]3C[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000238737424 HG Annotated Mild CCOC(=O)C1(C(=O)OCC)[C@@H](C(=O)c2ccccc2)CC(=O)N1c1ccc(C)cc1 ZINC000238737508 HG Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C=C(C)C)[C@@H](OC(C)=O)C1 ZINC000238737678 HG Annotated Mild C=C1C[C@H](OC(=O)C(C)C)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)C(C)C)C[C@@H]12 ZINC000238737923 HG Annotated Mild C=C1C(=O)O[C@H]2[C@H](OCC(C)C)[C@@](C)(O)CCC[C@H](C)C(=O)[C@@H](OCC(C)C)[C@H]12 ZINC000238738128 HG Annotated Mild COC(=O)[C@@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@@H]1CC4)[C@]31CC[C@](O)(C(C)C)OC1 ZINC000238738557 HG Annotated Anodyne CC(=O)O[C@H]1CC[C@@H](O)[C@]23OC(C)(C)[C@H](C[C@H](O/C=C/c4ccccc4)[C@]12C)[C@H]3O ZINC000238738716 HG Annotated Anodyne C=C(C(=O)OC)[C@H]1C[C@@]2(O)C(=C)[C@@H](OC(=O)/C(C)=C\C)CC[C@]2(C)C[C@H]1OC(C)=O ZINC000238740509 HG Annotated Mild COC(=O)/C=C(\CC[C@@H]1C(C=O)=C[C@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O ZINC000238740733 HG Annotated Reactive CCCCCC[C@@H](O)C(=O)O[C@@H]1[C@@H]2[C@@H](C=CC3=C(O)C(=O)C(=O)[C@]32C)CC1(C)C ZINC000238740862 HG Annotated Mild CC[C@@H](C)C(=O)C1=C2C3=COC([C@@H]4C(=O)C=CC[C@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000238741079 HG Annotated Mild C/C=C(\C)C(=O)OCC1=C[C@H](OC(=O)/C(C)=C/C)[C@H](C(C)C)[C@@H](OC(C)=O)C1=O ZINC000238741323 HG Annotated Mild COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C ZINC000238741379 HG Annotated Anodyne CCC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@@](CC(=O)OC)(CC[C@@H]12)[C@@H]43 ZINC000238741468 HG Annotated Anodyne CS/C=C\C(=O)O[C@H]1C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000238741770 HG Annotated Anodyne COC(=O)C1=CCC[C@H]2[C@@]1(C(=O)OC)CC[C@@H](C)[C@]21C[C@H](c2ccco2)OC1=O ZINC000238742086 HG Annotated Anodyne CC(=O)O[C@H]1C=C(C)[C@]2(C)CC[C@@H](C(=O)O)[C@](C)(CC/C(=C/C=O)C(=O)O)[C@H]2C1 ZINC000238743055 HG Annotated Reactive COC(=O)/C=C(\CC[C@@H]1C(C=O)=C[C@@H](O)[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O ZINC000238743579 HG Annotated Reactive CCO[C@@H](c1ccc(O)c(OC)c1)[C@@H]1CO[C@H](c2ccc(O)c(OC)c2)[C@H]1CO ZINC000238743852 HG Annotated Anodyne C=CC[C@]12C[C@@H](OC)[C@@H](O)C[C@]1(OC)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000238744990 HG Annotated Mild CC(=O)OC/C(=C\Cc1cc(OC(C)=O)ccc1OC(C)=O)CC/C=C(\C)C=O ZINC000238745087 HG Annotated Reactive C/C(=C/CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1)CC[C@@H](O)C(C)(C)O ZINC000238745460 HG Annotated Bother COC(=O)[C@@H]1c2ccoc2C[C@@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C ZINC000238745559 HG Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@H](COC(C)=O)CCC2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](O)[C@@H]2O ZINC000238746062 HG Annotated Mild COC(=O)c1c(C)c(Oc2c(C=O)c(O)c(Cl)c(C)c2C(=O)O)c(O)c(C)c1O ZINC000238746479 HG Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238746515 HG Annotated Mild C=C1CC[C@@H]2[C@H](COC(C)=O)[C@H](O)[C@H](OC(C)=O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000238746571 HG Annotated Mild C/C=C(\C)COc1ccc(C[C@@]2(SC)C(=O)N(C)[C@H](SC)C(=O)N2C)cc1 ZINC000238747970 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1OC(C)=O)[C@@]1(C)C(C=O)=CCC[C@@H]1C ZINC000238748316 HG Annotated Reactive COc1cc(C(=O)O[C@H]2C[C@](C)(O)C=C[C@@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O ZINC000238748515 HG Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@]2(C)[C@@H](O)CC[C@@]34CO[C@@](/C=C/c5ccccc5)(O[C@H]1[C@H]32)O4 ZINC000238748558 HG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)CC(C(=O)O)=C[C@H]1OC(=O)CCCCC(C)C ZINC000238748742 HG Annotated Anodyne C=CC[C@]12C=C(OC)C(=O)C(OC)=C1O[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2 ZINC000238749016 HG Annotated Mild C=C1[C@H](O)C[C@@H]([C@@H](C)[C@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@@H]2C(C)=CC[C@@H]12 ZINC000238749268 HG Annotated Mild CC/C=C/C=C(\OC)[C@H](O)[C@H](C)C[C@H](/C=C/C=C/[C@H]1OC(=O)C=C[C@@H]1OC)OC ZINC000238750644 HG Annotated Anodyne C/C=C(/C)OC(=O)[C@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)C(=O)O[C@@]1(C)O[C@@H]1C ZINC000238750667 HG Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4C(C)=C(OC)C(=O)[C@](C)([C@@]2(C)C1=O)[C@@]34C ZINC000238750719 HG Annotated Mild C=CC[C@@]12C=C(OC)C(=O)C(OC)=C1O[C@H](C)[C@H]2c1cc(OC)c2c(c1)OCO2 ZINC000238750743 HG Annotated Mild COc1c2c(c3cc4c(cc3c1OC)OCO4)N(C)[C@@H](O)c1c-2ccc2c1OCO2 ZINC000238751393 HG Annotated Clean CC(=O)O[C@@H](C)[C@@H](C)[C@@]1(c2cccc3c2COC3=O)C[C@H](c2ccoc2)O[C@@H]1O ZINC000238751791 HG Annotated Anodyne C=CC[C@@]12C[C@H](OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@H]2OC(C)=O ZINC000238752072 HG Annotated Mild CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]2C1=O ZINC000238753295 HG Annotated Mild C=CC(C)(C)[C@]12C[C@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(C=O)c1ccccc12 ZINC000238753847 HG Annotated Mild COc1cc(C(=O)O[C@H]2C[C@](C)(O)C=C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238753912 HG Annotated Anodyne CCC(=O)[C@H](C)C(=O)O[C@H]([C@@H](C)C(=O)CC)[C@@H](C)C(=O)[C@H](C)[C@H](CC)OC(C)=O ZINC000238753915 HG Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@H]2C1(C)C)C[C@]4(O)CO ZINC000238753975 HG Annotated Anodyne COC1=CC(=O)c2c(cc(C)c(C3=CC(=O)c4c(O)cc(C)cc4C3=O)c2O)C1=O ZINC000238754092 HG Annotated Mild C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@H](O)CC[C@@]21C ZINC000238754371 HG Annotated Anodyne CC1=C[C@H]2/C=C(\C)CCCC(=O)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238754483 HG Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C=O)[C@H]2O[C@]2(C)C[C@H]2C=C(C(=O)O2)[C@H](OC(C)=O)C1 ZINC000238754629 HG Annotated Mild CCOc1c(C)c2c(c3c1C(=O)O[C@H]3O)Oc1c(C=O)c(OC)cc(C)c1C(=O)O2 ZINC000238754639 HG Annotated Anodyne COc1cccc(O[C@H]2OC[C@@H]3[C@H]2CO[C@@H]3Oc2cccc(OC)c2OC)c1OC ZINC000238754653 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@@]12O ZINC000238754947 HG Annotated Anodyne C/C=C(/C)C(=O)Oc1cc(COC(=O)CC(C)C)ccc1[C@]1(COC(C)=O)CO1 ZINC000238755233 HG Annotated Anodyne COC(=O)c1cc(OC)c2c(C(=O)c3ccc(OC)c(OC)c3)ccc(OC)c2n1 ZINC000238755358 HG Annotated Anodyne C=N[C@@H]1[C@H]2[C@H](CC[C@@]1(C)O)[C@@](C)(NC=O)CC[C@@H]2[C@@]1(C)CC[C@@H](C(C)(C)N=C)O1 ZINC000238755715 HG Annotated Mild COc1ccc(CC(=O)OCC2=CC[C@@H](O)[C@]3(C)CC[C@H]4[C@H](C)C(=O)O[C@@H]4[C@@H]23)cc1 ZINC000238756127 HG Annotated Anodyne COc1cc(C(=O)O[C@H]2C=C(C)[C@H](O)C[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238756186 HG Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C(C)C)[C@@H](OC(C)=O)C1 ZINC000238756742 HG Annotated Mild CC(=O)OC[C@]1(O)C[C@@]23CC[C@H]4[C@@](C)(COC(C)=O)C(=O)CC[C@]4(C)[C@H]2CC[C@@H]1C3 ZINC000238756893 HG Annotated Anodyne CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@@]23C)[C@H]1C ZINC000238757068 HG Annotated Anodyne CCCCC[C@H](C/C=C/CCC(=O)NC[C@H](OC)[C@@H]1C(=O)C(C)=CC[C@@H]1O)OC ZINC000238757184 HG Annotated Mild COc1cc(C(=O)O[C@H]2C=C(C)[C@@H](O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238757258 HG Annotated Anodyne CC(=O)OC1=C(c2ccc(O)cc2)C(=O)c2oc3cc(OC(C)=O)c(O)cc3c2C1=O ZINC000238757336 HG Annotated Mild CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)/C=C/C(=O)O)=C\c1coc(C)n1 ZINC000238757477 HG Annotated Anodyne C/C=C(/C)C(=O)Oc1cc(COC(=O)[C@H](C)CC)ccc1[C@]1(COC(C)=O)CO1 ZINC000238757587 HG Annotated Anodyne COC1=CC2(C=C(OC)C1=O)c1c(cc(OC)c(OC)c1OC)[C@@H]1O[C@H]2[C@@H](C)[C@H]1C ZINC000238758364 HG Annotated Mild CCO[C@H]1c2c(cc(O)c3c2OC(c2ccc(O)cc2)=C[C@@H]3O)OC(C)(C)[C@H]1O ZINC000238758830 HG Annotated Anodyne COC[C@@H]1Cc2cc(OC)c(OC)cc2[C@H](c2ccc(OC)c(OC)c2)[C@H]1CO ZINC000238758939 HG Annotated Anodyne CC(=O)OC[C@H](C)[C@@]1(O)CC[C@]2(C)C[C@H](OC(C)=O)[C@@]3(C)CC(=O)[C@@]4(C)C[C@H]4[C@@H]3[C@H]21 ZINC000238759129 HG Annotated Anodyne COc1cc(C(CC2=CCOC2=O)c2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000238759474 HG Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O ZINC000238759537 HG Annotated Mild COc1cc([C@H](COC(C)=O)Cc2ccc(OC(C)=O)cc2)ccc1OC(C)=O ZINC000238759990 HG Annotated Anodyne C=C1CC[C@H](O)[C@H](C)C[C@H](O)C2=C(C)[C@@H]3[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238760010 HG Annotated Mild CC(=O)O[C@H](C(C)=O)[C@@H]1OC(=O)[C@@]2(C)CCC[C@](C)(C(=O)CCc3ccoc3)[C@@H]12 ZINC000238760310 HG Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@]3(C1)C2=CCC[C@@]12C[C@H](OC)[C@@H](C[C@@H]31)C2=O ZINC000238760404 HG Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)C(C)C)[C@@H](OC(C)=O)C1 ZINC000238760958 HG Annotated Mild COc1cc(C(=O)O[C@@H]2C[C@@](C)(O)C=C[C@@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O ZINC000238761125 HG Annotated Anodyne CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]12O ZINC000238761183 HG Annotated Reactive CC[C@@H](C)C(=O)O[C@@](C)(C(=O)O)C1=C[C@@]2(C)C(=CC1=O)CC[C@H](OC(C)=O)[C@@H]2C ZINC000238761402 HG Annotated Mild C=CC[C@]12C=C(OC)[C@@H](OC(C)=O)[C@](OC)(C1=O)[C@@H](c1ccc(O)c(OC)c1)[C@@H]2C ZINC000238761466 HG Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@H]3[C@]2(C)C[C@]1(C)[C@]4(COC(C)=O)C(=O)OC ZINC000238761538 HG Annotated Anodyne CC[C@H]1CN2[C@H]3C[C@@H]1[C@@](COC(C)=O)(C(=O)OC)[C@@H]2Cc1c3n(C)c2ccccc12 ZINC000238761890 HG Annotated Anodyne COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238762912 HG Annotated Anodyne CC[C@@H](C)C(=O)[C@@H]1C(=O)O[C@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@H]12 ZINC000238763194 HG Annotated Mild CC(=O)OC[C@@H](C)c1c(O)c2c3c4c(c(C)c(=O)oc14)CC[C@@]3(C)C(O)=C(O)C2=O ZINC000238763549 HG Annotated Mild COc1cc(=O)oc(/C=C\C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000238763806 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@]1(O)CC(C)(C)C[C@@H]12 ZINC000238764256 HG Annotated Reactive CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)[C@H]2O)c1O ZINC000238764899 HG Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)OC)CC=C[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000238764904 HG Annotated Mild COC(=O)[C@@H]1C[C@@]23CN4C[C@H]5CC[C@@]6(CC[C@H]1[C@]62OC[C@]53CCC(=O)C(C)C)C4 ZINC000238765370 HG Annotated Anodyne CC(C)[C@@H]1CC[C@]2(C)[C@@H]([C@@H]1OC(=O)/C=C/c1ccccc1)[C@@](O)(CO)CC[C@H]2O ZINC000238765585 HG Annotated Anodyne COc1ccc(C[C@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000238766820 HG Annotated Anodyne C/C=C(\C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@]1(C)O[C@@H]1C ZINC000238767212 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@]1(C)O[C@@H]1C ZINC000238767226 HG Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O)CO[C@H]1OC/C=C(/C)CCC=C(C)C ZINC000238768021 HG Annotated Anodyne CCOC(=O)C[C@H]1[C@@H]2c3cc4c(cc3C[C@@H](c3cc5c(cc32)OCO5)N1C)OCO4 ZINC000238768673 HG Annotated Anodyne COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)[C@@H]1C[C@H](C=O)[C@]2(C)O ZINC000238768843 HG Annotated Mild COc1c(O)ccc([C@@H]2c3ccc(O)cc3C[C@H](c3ccc(O)c(O)c3)[C@H]2O)c1O ZINC000238769338 HG Annotated Clean COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238770111 HG Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]31CC[C@@](O)(C(C)C)OC1 ZINC000238770203 HG Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C[C@H](OC(C)=O)[C@@]4(C)C[C@]3(CC[C@H]12)O[C@@H]4CO ZINC000238770430 HG Annotated Anodyne COc1c2c(cc3c1[C@H]1C(=CC4=C(OCO4)[C@H]1OC)[C@H]1O[C@@H]3[C@H](C)[C@@H]1C)OCO2 ZINC000238770645 HG Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@]2(C)[C@@H](O)CC[C@@]34CO[C@@](/C=C/c5ccccc5)(O[C@H]1[C@H]32)O4 ZINC000238770743 HG Annotated Anodyne C=CC[C@]12C[C@@H](OC)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O ZINC000238771303 HG Annotated Mild CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@@](O)(COC(=O)/C=C/c3ccccc3)[C@H]2[C@@H]1O ZINC000238771667 HG Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC[C@H]2O[C@]2(COC(=O)CCC)[C@@H](OC(C)=O)C1 ZINC000238771713 HG Annotated Mild CO[C@@]12C=C(C(=O)[C@H]3[C@H](C)C(C)=C[C@@]4(C)C[C@H](C)CC[C@H]34)C(=O)N1CC[C@H]2C(=O)O ZINC000238772014 HG Annotated Mild COC(=O)[C@H]1C[C@]23CCC[N+]4([O-])CC[C@]5(c6ccccc6N(C(=O)OC)[C@@]15CC2)[C@@H]34 ZINC000238772893 HG Annotated Bother C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1O[C@H](C(=O)OC)[C@@H](CC(=O)O)C(=O)OC ZINC000238773150 HG Annotated Mild C=CC[C@]12C=C(OC)[C@H](OC(C)=O)[C@](OC)(C1=O)[C@H](c1ccc(O)c(OC)c1)[C@H]2C ZINC000238773289 HG Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@H]2OC(C)=O ZINC000238773811 HG Annotated Mild COC(=O)[C@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@H]1CC4)[C@]31CC[C@@](O)(C(C)C)OC1 ZINC000238773869 HG Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]31CC[C@](O)(C(C)C)OC1 ZINC000238774407 HG Annotated Anodyne COC(=O)[C@@H]1C[C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]1c1cc(OC)c2c(c1)OCO2 ZINC000238774781 HG Annotated Anodyne COC(=O)[C@@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@@H]1CC4)[C@@]31CC[C@](O)(C(C)C)OC1 ZINC000238775109 HG Annotated Anodyne CC1=C[C@H]2/C=C(\C)C[C@@H](CO)C[C@@H](O)/C=C/C(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238775122 HG Annotated Mild C/C=C1/C[N+]2(CCl)CCc3c([nH]c4ccccc34)[C@@](CO)(C(=O)OC)[C@H]1CC2 ZINC000238775191 HG Annotated Reactive C=C(C(=O)OC)[C@H]1C[C@@]2(OO)C(=C)[C@@H](OC(=O)C(C)C)CC[C@]2(C)C[C@H]1OC(C)=O ZINC000238775303 HG Annotated Reactive COc1cc(C(=O)O[C@H]2C[C@](C)(O)CC[C@@]3(C)C=C[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238775405 HG Annotated Anodyne COc1ccc2c(c1)COc1c-2oc2c(OC)c(OC)c(OC)c(OC)c2c1=O ZINC000238775810 HG Annotated Anodyne COc1c(O)ccc([C@H]2c3ccc(O)cc3C[C@H](c3ccc(O)c(O)c3)[C@H]2O)c1O ZINC000238776264 HG Annotated Clean CC(=O)OC/C(=C\CCC1=CC(=O)OC1)CC/C=C(/CC/C=C(/C)CO)C(=O)O ZINC000238776860 HG Annotated Anodyne C[C@@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000238776901 HG Annotated Anodyne C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]2O[C@@H]2[C@@]2(O)CC=CC(=O)[C@]12C)[C@H]1C[C@@H](C)C(=O)O1 ZINC000238777119 HG Annotated Mild CC(=O)OC[C@]1(C)C2=CC[C@@H]3C[C@](C)([C@H](O)CO)CC[C@@]3(C)[C@@H]2CC[C@@H]1OC(C)=O ZINC000238777948 HG Annotated Anodyne C=CC(=O)O[C@H]1O[C@]2(O)C/C(C)=C/[C@H](O)CC(=C)CC[C@@H]3CC[C@@]14O[C@]42C3(C)C ZINC000238777978 HG Annotated Mild CNCCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238778034 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@@]23C)[C@H]1C ZINC000238778047 HG Annotated Anodyne CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@H]2CC[C@H](OC(=O)/C=C\SC)[C@H](C)[C@@]12C ZINC000238778187 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CCN3C[C@H]4[C@H](C)OC=C(OC(C)=O)[C@H]4C[C@H]3[C@@H]1N2 ZINC000238778225 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@H](C(=O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@@]23C)[C@H]1C ZINC000238778615 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@H]1C(=O)C[C@@H]1C(C)(C)[C@H](O)CC[C@]12C ZINC000238778668 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@H]([C@H](O)C[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000238778681 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@@H]1C ZINC000238778816 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]13CC[C@H]4C(=CCO[C@H]5CCN2[C@H]1[C@H]54)CN(C#N)CC3 ZINC000238778911 HG Annotated Clean CC[C@@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O)CO[C@H]1OC/C=C(\C)CCC=C(C)C ZINC000238779167 HG Annotated Anodyne CO[C@H]1c2cc(C)c(=O)c(=O)c(C(C)C)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000238779553 HG Annotated Anodyne CC1(C)[C@@]2(Br)C=C[C@@](C)(O)[C@@]13C[C@H](Br)[C@@](C)(O)C[C@H]3O2 ZINC000238779857 HG Annotated Reactive C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@]2(O)[C@@H](OC(C)=O)CC[C@H](C)[C@@]12C ZINC000238779885 HG Annotated Anodyne C[C@H](CCOC(=O)CC(=O)O)CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000238780019 HG Annotated Anodyne C=C1C[C@H](OC(=O)c2ccc(O)c(OC)c2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O ZINC000238780314 HG Annotated Mild C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@]5(C)CCC[C@@]4(CN(CCOC(C)=O)C5=O)[C@@H]3C2)[C@@H]1O ZINC000238780409 HG Annotated Mild COc1cc(C(=O)O[C@H]2CC(C)=C3CC[C@](C)(O)[C@@H]3[C@H](O)[C@@H]2C(C)C)ccc1O ZINC000238781203 HG Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CCCC(=O)[C@H](O)CC(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238781311 HG Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CCCC(=O)[C@H](O)CC(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238781318 HG Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O)CO[C@H]1OCC[C@H](C)CCC=C(C)C ZINC000238781863 HG Annotated Anodyne COn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)[C@H](C)O)[C@@H](C)C[C@H]2C)c1=O ZINC000238781890 HG Annotated Anodyne COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](COC(C)=O)C[C@H](O)[C@@]2(C)C(CO)=CCC[C@@H]21 ZINC000238782078 HG Annotated Anodyne COc1cc(C(=O)O[C@H]2C[C@@](C)(O)C=C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000238782452 HG Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@]1(C=O)CCC[C@@](C)(C=O)[C@H]1[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000238782548 HG Annotated Mild COC1=C(O)C(C)(C)CC(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)=C1 ZINC000238783111 HG Annotated Mild CC(C)[C@@H]1C[C@@H](O)[C@]2(C)[C@@H](O)CC[C@@]34CO[C@@](/C=C\c5ccccc5)(O[C@H]1[C@H]32)O4 ZINC000238783423 HG Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCc3ccccc3)OC[C@H]1C2=O ZINC000238783655 HG Annotated Clean C[S@](=O)Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000238783801 HG Annotated Clean COC(=O)/C=C/c1ccc(OC(=O)C[C@H](C)OC(C)=O)c(/C=C/C(C)(C)OO)c1 ZINC000238784457 HG Annotated Reactive CC(C)=CCc1ccc(O)c2c1C(=O)N[C@@H](Cc1c[nH]c3cc(O)ccc13)C(=O)N2 ZINC000238784559 HG Annotated Anodyne CC(C)=CCC/C(C)=C/COc1ccc([C@@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1 ZINC000238784945 HG Annotated Anodyne CCO[C@H](CO)[C@@H](Oc1ccc(/C=C/C=O)cc1OC)c1ccc(O)c(OC)c1 ZINC000238785817 HG Annotated Reactive COn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)[C@@H](C)O)[C@@H](C)C[C@H]2C)c1=O ZINC000238786234 HG Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)[C@@H]1C[C@](C)(OCCc3ccccc3)OC[C@@H]1C2=O ZINC000238786746 HG Annotated Clean CC[C@H](C)c1nc2c(CCCNC(=N)N)[nH]c(-c3cc4ccccc4[nH]3)cn-2c1=O ZINC000238787166 HG Annotated Anodyne COC(=O)/C1=C/[C@H]2C3=C(CC[C@@]2(O)C(C)C)C(=O)CC[C@](C)(O3)[C@H](OC(C)=O)CC1 ZINC000238787373 HG Annotated Mild COC(=O)/C1=C\[C@H]2C3=C(CC[C@@]2(O)C(C)C)C(=O)CC[C@](C)(O3)[C@H](OC(C)=O)CC1 ZINC000238787375 HG Annotated Mild C[C@H]1/C(=C\C(=O)OCCN(C)C)CC[C@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@H](O)CC[C@@]21C ZINC000238787382 HG Annotated Anodyne CC(C)[C@H]1C[C@@H](O)[C@]2(C)[C@@H](O)CC[C@@]34CO[C@@](/C=C\c5ccccc5)(O[C@H]1[C@H]32)O4 ZINC000238787556 HG Annotated Anodyne COc1cc(=O)oc(/C=C\C=C/C=C\C(C)=C\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000238787573 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C\C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000238787575 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C\[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000238787576 HG Annotated Anodyne CC[C@@H](CO)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@@H]1C ZINC000238788127 HG Annotated Anodyne COc1ccc([C@@]2(O)c3ccc4[nH]c(C)c(OC)c(=O)c4c3[C@@H]3CC[C@H]2O3)cc1OC ZINC000238788331 HG Annotated Anodyne CC[C@@H](C)C(=O)O[C@H](/C=C/C=C\C#CC#C/C=C/COC(C)=O)CCOC(C)=O ZINC000238789131 HG Annotated Mild COc1cc(-c2oc3cc4c(c(OC)c3c(=O)c2OC)OCO4)cc(OC)c1OC ZINC000238789398 HG Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)[C@@H]1C[C@@H]31 ZINC000239212597 HG Annotated Mild aggregator O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000239212598 HG Annotated Mild aggregator C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)O)C1 ZINC000024978147 HG Annotated Anodyne in-vivo CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN2CCC[C@H]2C1 ZINC000245227251 HG Annotated Anodyne c1cnc2ccc([C@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000245227265 HG Annotated Anodyne c1cnc2ccc([C@@H](c3nnnn3C3CCCC3)N3CCN4CCC[C@H]4C3)cc2c1 ZINC000245227266 HG Annotated Anodyne C[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1-2)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000245296586 HG Annotated Anodyne N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000002500563 HG Annotated Reactive N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1)OCO2 ZINC000002500565 HG Annotated Reactive Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cc3ccccc3c(=O)o2)c1C(N)=O ZINC000002503154 HG Annotated Anodyne O=C1CCCC2=Nc3nc(S)[nH]c(=O)c3[C@H](c3ccc(Br)cc3)[C@@H]12 ZINC000002602117 HG Annotated Anodyne O=C1CCCC2=Nc3nc(S)[nH]c(=O)c3[C@@H](c3ccc(Br)cc3)[C@H]12 ZINC000002602118 HG Annotated Anodyne Cc1ccc([C@H]2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1 ZINC000002627789 HG Annotated Reactive aggregator Cc1ccc([C@@H]2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1 ZINC000002627790 HG Annotated Reactive aggregator COc1ccc(NCC(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2Cl)cc1 ZINC000002630313 HG Annotated Reactive CC(=O)Nc1ccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000002630394 HG Annotated Mild CC(=O)Nc1ccc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000002630396 HG Annotated Mild C=CCOc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000002678181 HG Annotated Mild C=CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000002678182 HG Annotated Mild COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)C[S@@](=O)C3)cc1 ZINC000002725040 HG Annotated Anodyne O=C(C[n+]1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000002897059 HG Annotated Reactive Cc1ccc(N2CCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)C[C@H]2C)cc1 ZINC000002921598 HG Annotated Anodyne Cc1ccc(N2CCN(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)C[C@@H]2C)cc1 ZINC000002921600 HG Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3ncnc(N(CC)CC)c3c2C)C1 ZINC000002925896 HG Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2sc3ncnc(N(CC)CC)c3c2C)C1 ZINC000002925898 HG Annotated Anodyne O=S1(=O)c2ccccc2S(=O)(=O)N1c1ccc(/N=C(\O)c2cccs2)cc1 ZINC000002927798 HG Annotated Mild C[C@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccn1 ZINC000002932706 HG Annotated Anodyne C[C@@H]1CCCCN1C(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccn1 ZINC000002932711 HG Annotated Anodyne O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccco1 ZINC000002938566 HG Annotated Anodyne O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccco1 ZINC000002938567 HG Annotated Anodyne CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O ZINC000002965380 HG Annotated Clean CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(O)c(O)c3)N2C1=O ZINC000002965382 HG Annotated Clean CCN1CCN([C@H](c2ccc(OC)cc2)[C@@H](O)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000025480544 HG Annotated Anodyne CCN1CCN([C@@H](c2ccc(OC)cc2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000025480547 HG Annotated Anodyne CCN1CCN([C@H](c2ccc(OC)cc2)[C@H](O)C(=O)c2c[nH]c3ccccc23)CC1 ZINC000025480550 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000250574740 HG Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000251203372 HG Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000251203376 HG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3Cl)[C@H]4C2=O)cc1 ZINC000251449494 HG Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5ccccc5Cl)C(=O)[C@H]24)O3)cc1 ZINC000251496535 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000252125528 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000252125530 HG Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@@H]1C(=O)NCc1ccc(Cl)cc1)O2 ZINC000253484596 HG Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]3[C@H]1C(=O)NCc1ccc(Cl)cc1)O2 ZINC000253484597 HG Annotated Anodyne C[C@@]12C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]3[C@H]1C(=O)NCc1ccc(Cl)cc1)O2 ZINC000253484598 HG Annotated Anodyne COc1ccc(S(=O)(=O)N=c2c3ccccc3nc(O)n2-c2ccccc2)cc1 ZINC000253498045 HG Annotated Anodyne C=CCOC(=O)[C@H]1[C@H]2C(=O)C[C@@H](c3ccc(O)cc32)[C@H]1C(=O)OCC[Si](C)(C)C ZINC000253632517 HG Annotated Mild C=CCOC(=O)[C@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000253632518 HG Annotated Mild C=CCOC(=O)[C@@H]1[C@@H](C(=O)OCC[Si](C)(C)C)[C@H]2CC(=O)[C@H]1c1cc(O)ccc12 ZINC000253632519 HG Annotated Mild Oc1n[nH]c(CN2CCO[C@]3(CC[C@@H](c4ccccc4)CO3)[C@H]2c2ccccc2)n1 ZINC000253634786 HG Annotated Anodyne Oc1n[nH]c(CN2CCO[C@]3(CC[C@H](c4ccccc4)CO3)[C@H]2c2ccccc2)n1 ZINC000253634787 HG Annotated Anodyne CN1CCN2c3c(cccc3OS(=O)(=O)C(F)(F)F)Cc3ccccc3[C@H]2C1 ZINC000253635304 HG Annotated Unstable COc1cc([C@]23OC[C@]24[C@@H]2CO[C@@H](c5cc6c(cc53)OCO6)[C@H]24)cc(OC)c1OC ZINC000253637187 HG Annotated Anodyne COc1cc([C@]23OC[C@]24[C@@H]2CO[C@H](c5cc6c(cc53)OCO6)[C@H]24)cc(OC)c1OC ZINC000253637189 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000253637236 HG Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@@H]2C[C@H]3CC[C@H]2C3)nc1 ZINC000253637590 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@H]2C[C@H]3CC[C@H]2C3)nc1 ZINC000253637594 HG Annotated Mild O=C1Oc2ccccc2[C@@H](O)[C@@H]1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000253637743 HG Annotated Anodyne O=C1Oc2ccccc2[C@H](O)[C@@H]1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@H]1O ZINC000253637748 HG Annotated Anodyne O=C1Oc2ccccc2[C@H](O)[C@@H]1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000253637753 HG Annotated Anodyne C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000253644893 HG Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000253644897 HG Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000253644901 HG Annotated Mild C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000253644902 HG Annotated Mild CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000253651102 HG Annotated Anodyne Oc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[C@H]3Cc4cc(O)c(O)cc4[N@@+]13CC2 ZINC000253651297 HG Annotated Clean CCN(CC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@H]1F)c1ccccc1 ZINC000253660882 HG Annotated Mild CCN(CC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@H]1F)c1ccccc1 ZINC000253660886 HG Annotated Mild C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000253665526 HG Annotated Anodyne C[C@H]1C[C@@]2(C[C@@H](C)N1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2Cc1ccccc1 ZINC000253666958 HG Annotated Bother C[C@H]1C[C@]2(C[C@@H](C)N1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2Cc1ccccc1 ZINC000253666963 HG Annotated Bother Cc1ccc2nc(O)c(C3=N[C@@H]4C=CC(Cl)=CN4[C@H]3NC[C@H]3CCCO3)cc2c1 ZINC000253678271 HG Annotated Anodyne Cc1ccc2nc(O)c(C3=N[C@@H]4C=CC(Cl)=CN4[C@H]3NC[C@@H]3CCCO3)cc2c1 ZINC000253678278 HG Annotated Anodyne Cc1ccc2nc(O)c(C3=N[C@@H]4C=CC(Cl)=CN4[C@@H]3NC[C@H]3CCCO3)cc2c1 ZINC000253678283 HG Annotated Anodyne CCOc1cc(Br)cc(C=NNC(=O)COc2cccc(C)c2)c1O ZINC000253854799 HG Annotated Reactive C1=C2CC3(CC[C@@H]2[C@@H]2[C@H](C1)[C@H]1CCC4(OCCO4)[C@@]14C[C@@H]2C[C@]41CO1)OCCO3 ZINC000253859631 HG Annotated Anodyne C1=C2CC3(CC[C@@H]2[C@H]2[C@@H]4C[C@]5([C@H](CCC56OCCO6)[C@@H]2C1)[C@@]1(CO1)C4)OCCO3 ZINC000253859634 HG Annotated Anodyne C1=C2CC3(CC[C@@H]2[C@@H]2[C@H](C1)[C@@H]1CCC4(OCCO4)[C@@]14C[C@@H]2C[C@]41CO1)OCCO3 ZINC000253859637 HG Annotated Anodyne C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000253915804 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)cc1 ZINC000253966521 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)N[C@H]2CCCC[C@H]2C)C(C)C)cc1 ZINC000253966528 HG Annotated Anodyne COc1ccc([C@@H]2CC(O)=C([C@@H]3NCCc4ccccc43)C(=O)[C@H]2n2cncn2)cc1 ZINC000253987014 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@H]2CC1=O ZINC000254013035 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000254013038 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@]2(C)Cc3ccccc3[C@H]2CC1=O ZINC000254013043 HG Annotated Mild CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=O)[C@H](O)C[C@H]3[C@H]12 ZINC000254045347 HG Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=O)[C@H](O)C[C@H]3[C@@H]12 ZINC000254045352 HG Annotated Anodyne CC(C)[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@H](C)CCC[C@H]2C)C1=O ZINC000254048503 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2c3cccc4c3[C@H](C[C@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000254075200 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2c3cccc4c3[C@@H](C[C@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000254075202 HG Annotated Anodyne CCC[C@]1(NC(=O)C(F)(F)F)C[C@H](OC)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]21 ZINC000254080586 HG Annotated Anodyne CCC[C@]1(NC(=O)C(F)(F)F)C[C@H](OC)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]21 ZINC000254080588 HG Annotated Anodyne Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N@+]31CC2 ZINC000254102338 HG Annotated Clean Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N@@+]31CC2 ZINC000254102341 HG Annotated Clean C[C@H](S[C@@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 ZINC000254129650 HG Annotated Reactive COc1cc2c(cc1OC)[C@@H]1CN3CCC[C@@H]3[C@@H](O)[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000254143401 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1CN3CCC[C@@H]3[C@H](O)[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000254143403 HG Annotated Anodyne CC1(C)[C@@]23CC(=O)[C@@](C)(Br)C[C@H]2O[C@@]1(Br)C=C[C@]3(C)O ZINC000254145172 HG Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn(Cc4ccc(C(=O)O)s4)c3n2)CC1 ZINC000254153330 HG Annotated Anodyne O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl)C1CC1 ZINC000254313241 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl)C1CC1 ZINC000254313243 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl)C1CC1 ZINC000254313244 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl)C1CC1 ZINC000254313246 HG Annotated Mild CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccc(OC)cc2)S1 ZINC000254319572 HG Annotated Mild CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C(=Nc2ccc(OC)cc2)S1 ZINC000254319577 HG Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254398369 HG Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254398373 HG Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254398376 HG Annotated Mild CC(=O)c1cccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254398380 HG Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254403351 HG Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254403352 HG Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254403356 HG Annotated Mild CC(=O)c1ccc(N2C(=NC(=O)C3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254403360 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1)C1CCCCC1 ZINC000254439214 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1)C1CCCCC1 ZINC000254439216 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)C1CCCCC1 ZINC000254439219 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1)C1CCCCC1 ZINC000254439220 HG Annotated Mild COc1cccc(N2C(=NC(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254441335 HG Annotated Mild COc1cccc(N2C(=NC(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000254441338 HG Annotated Mild COc1cccc(N2C(=NC(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254441342 HG Annotated Mild COc1cccc(N2C(=NC(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000254441345 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl)C1CC1 ZINC000254475201 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl)C1CC1 ZINC000254475202 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)C1CC1 ZINC000254475205 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl)C1CC1 ZINC000254475207 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254507713 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254507714 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254507715 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254507716 HG Annotated Mild O=C(CCCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254582478 HG Annotated Mild O=C(CCCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254582479 HG Annotated Mild O=C(CCCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254582480 HG Annotated Mild O=C(CCCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254582481 HG Annotated Mild CCn1c(=NC(=O)CCS(=O)(=O)c2ccccc2)sc2cccc(OC)c21 ZINC000254592852 HG Annotated Anodyne COc1cc(C(=O)N=c2sc3c(C)ccc(OC)c3n2C)cc(OC)c1OC ZINC000254615178 HG Annotated Anodyne O=C(CCC1CCCC1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254622811 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254622812 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254622813 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254622814 HG Annotated Mild COc1ccc(N2C(=NC(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254708535 HG Annotated Mild COc1ccc(N2C(=NC(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254708536 HG Annotated Mild COc1ccc(N2C(=NC(=O)CCC3CCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254708537 HG Annotated Mild COc1ccc(N2C(=NC(=O)CCC3CCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254708538 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254711693 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 ZINC000254711695 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254711697 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 ZINC000254711700 HG Annotated Mild CCOc1cccc2sc(=NC(=O)CCS(=O)(=O)c3ccccc3)n(CC)c12 ZINC000254714955 HG Annotated Anodyne O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254751183 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 ZINC000254751186 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254751193 HG Annotated Mild O=C(CCc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 ZINC000254751196 HG Annotated Mild CCn1c(=NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c(C)ccc(OC)c21 ZINC000254763981 HG Annotated Anodyne O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl)C1CC1 ZINC000254794880 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl)C1CC1 ZINC000254794883 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl)C1CC1 ZINC000254794887 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl)C1CC1 ZINC000254794890 HG Annotated Mild COc1ccccc1N1C(=NC(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254833327 HG Annotated Mild COc1ccccc1N1C(=NC(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254833492 HG Annotated Mild COc1ccccc1N1C(=NC(=O)CCC2CCCC2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254833493 HG Annotated Mild COc1ccccc1N1C(=NC(=O)CCC2CCCC2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254833494 HG Annotated Mild O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000254841839 HG Annotated Mild aggregator O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1N=Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1 ZINC000254841842 HG Annotated Mild aggregator COc1ccc(N2C(=NC(=O)CC3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254860732 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254866586 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254866588 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F ZINC000254866590 HG Annotated Mild O=C(CCC1CCCC1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F ZINC000254866592 HG Annotated Mild Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1N=Cc1ccco1 ZINC000254867108 HG Annotated Mild aggregator O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl)C1CC1 ZINC000254875203 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl)C1CC1 ZINC000254875204 HG Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl)C1CC1 ZINC000254875205 HG Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl)C1CC1 ZINC000254875206 HG Annotated Mild CCn1c(=NC(=O)[C@@H]2COc3ccccc3O2)sc2c(OC)ccc(OC)c21 ZINC000254902257 HG Annotated Anodyne CCn1c(=NC(=O)[C@H]2COc3ccccc3O2)sc2c(OC)ccc(OC)c21 ZINC000254902262 HG Annotated Anodyne CCOc1cccc2sc(=NC(=O)CCS(=O)(=O)c3ccc(F)cc3)n(C)c12 ZINC000254903761 HG Annotated Anodyne O=C([C@H]1CCCN1)N1CCC[C@H]1P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000025996110 HG Annotated Anodyne O=C([C@H]1CCCN1)N1CCC[C@@H]1P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000025996117 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)[C@@H](O)C[C@H](O)[C@@H]12 ZINC000255194170 HG Annotated Anodyne C[C@]12CC[C@H](O)C=C1CC[C@]1(O)[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255209821 HG Annotated Anodyne CC1(C)C(=O)C=C[C@@]2(C)C1=C(O)C(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)C[C@H]3O[C@]321 ZINC000255214545 HG Annotated Mild CC1(C)C(=O)C=C[C@@]2(C)[C@H]1C[C@@H](O)[C@@]1(C)[C@@H]3C(=O)C[C@@H](CC(=O)CO)[C@]3(C)CC[C@H]21 ZINC000255214868 HG Annotated Mild C[C@]12[C@@H](O)C[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255256525 HG Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@]5(O)[C@H](C)[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]32CN1C ZINC000255257153 HG Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@@]32CN1C)[C@@]1(C)CC[C@H](N(C)C)[C@@H](C)[C@]1(O)C[C@H]4O ZINC000255257157 HG Annotated Anodyne C[C@H]1CC[C@H]2[C@@H](O)[C@H]3CC[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 ZINC000255257424 HG Annotated Anodyne CN[C@H](C)[C@@H]1[C@@H]2CC[C@]34C[C@]35CC[C@@H](N(C)C)[C@](C)(CO)[C@H]5C=C[C@H]4[C@]2(C)C[C@H]1O ZINC000255269436 HG Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1C2=C(O)C(=O)[C@@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O ZINC000255271558 HG Annotated Mild C[C@H]1CCC[C@H](O)/C=C/[C@@H]2[C@@H](O)C[C@H](O)C[C@H]2/C=C/C=C\C/C=C/C=C\C(=O)O1 ZINC000255273870 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)[C@@](C)(CO)[C@@H]3CC[C@@]2(C)[C@]2(C)[C@@H](O)C=C[C@@H]12 ZINC000255285082 HG Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1N=Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O ZINC000255991002 HG Annotated Clean CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@@]21C ZINC000257377333 HG Annotated Anodyne CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@@]21C ZINC000257377334 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@]12O ZINC000257378567 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C(=O)O)[C@]12O ZINC000257378568 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(C(=O)O)[C@@]12O ZINC000257378569 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@]1(O)CC(C)(C)C[C@@H]12 ZINC000257401490 HG Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(C=O)[C@H]12 ZINC000257401491 HG Annotated Reactive COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)c1C ZINC000257455463 HG Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)c1C ZINC000257455464 HG Annotated Anodyne COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C ZINC000257455465 HG Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000257463614 HG Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@@H]2CC(C)(C)C[C@H]23)c(O)c1 ZINC000257463615 HG Annotated Anodyne C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)/C=C/SC)CC[C@H]1C)[C@@H]2OC(C)=O ZINC000257478460 HG Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@@H]2OC(C)=O ZINC000257478461 HG Annotated Mild C=C1COC(=O)[C@]12C[C@]1(C)[C@H](C)CC[C@H](OC(=O)/C=C/SC)[C@@H]1[C@H]2OC(C)=O ZINC000257478462 HG Annotated Mild C=C1COC(=O)[C@]12C[C@@]1(C)[C@@H]([C@@H](OC(=O)/C=C/SC)CC[C@H]1C)[C@H]2OC(C)=O ZINC000257478463 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@]34C ZINC000257486957 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@]2(C)C1=O)[C@]34C ZINC000257486958 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000257486959 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)C1=O ZINC000257486960 HG Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3C=C(CO)[C@@]12O ZINC000257509184 HG Annotated Anodyne COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)oc(=O)c1C ZINC000257524485 HG Annotated Anodyne COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)oc(=O)c1C ZINC000257524486 HG Annotated Anodyne COc1cc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)oc(=O)c1C ZINC000257524487 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000257598883 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@@H]1CC(C)(C)C[C@H]12 ZINC000257598884 HG Annotated Anodyne COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@]34C)[C@]2(C)[C@@H]1OC ZINC000257668238 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]2(C)[C@@H]1OC)[C@]34C ZINC000257668239 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@]34C)[C@]2(C)[C@H]1OC ZINC000257668240 HG Annotated Mild COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]2(C)[C@H]1OC)[C@]34C ZINC000257668241 HG Annotated Mild CC(=O)OCn1c(SCc2nccc3c2CCC[S@]3=O)nc2ccccc21 ZINC000026004240 HG Annotated Anodyne CC(=O)OCn1c(SCc2nccc3c2CCC[S@@]3=O)nc2ccccc21 ZINC000026004246 HG Annotated Anodyne CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000026009134 HG Annotated Anodyne CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000026009140 HG Annotated Anodyne CN(C)CCCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)n(Cc2ccccc2)n1 ZINC000026024365 HG Annotated Anodyne O=C1NC(=O)[C@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026024968 HG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccc(F)cc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026024976 HG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027142 HG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccccc2)(S(=O)(=O)c2ccc(Cl)cc2)S1 ZINC000026027149 HG Annotated Mild Cc1ccc(S(=O)(=O)[C@@]2(CC#Cc3ccc(F)cc3)SC(=O)NC2=O)cc1 ZINC000026027939 HG Annotated Mild Cc1ccc(S(=O)(=O)[C@]2(CC#Cc3ccc(F)cc3)SC(=O)NC2=O)cc1 ZINC000026027948 HG Annotated Mild O=C1NC(=O)[C@](CC#Cc2ccccc2Cl)(S(=O)(=O)c2ccccc2)S1 ZINC000026028635 HG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2ccccc2Cl)(S(=O)(=O)c2ccccc2)S1 ZINC000026028640 HG Annotated Mild O=C1NC(=O)[C@](CC#Cc2cccc(Cl)c2)(S(=O)(=O)c2ccccc2)S1 ZINC000026028736 HG Annotated Mild O=C1NC(=O)[C@@](CC#Cc2cccc(Cl)c2)(S(=O)(=O)c2ccccc2)S1 ZINC000026028746 HG Annotated Mild CC1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3C=C(CCOCC(=O)O)C[C@H]32)Cc2ccccc2C1 ZINC000026148064 HG Annotated Anodyne COc1ccc2[nH]c([S@@](=O)Cc3cc(N(C)C)c(Br)cn3)nc2c1 ZINC000026151682 HG Annotated Anodyne COc1ccc2[nH]c([S@](=O)Cc3cc(N(C)C)c(Br)cn3)nc2c1 ZINC000026151689 HG Annotated Anodyne Cc1cc(C(F)(F)F)cc2sc(NC(=O)c3csc(N=C(N)N)n3)nc12 ZINC000026152941 HG Annotated Mild NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3ccccc35)cc21 ZINC000026159347 HG Annotated Mild NC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3C[C@@H]4C[C@]45C3=CC(=O)c3ccccc35)cc21 ZINC000026159355 HG Annotated Mild CCN(c1ccc(-c2csc(CC(=O)NCc3ccco3)n2)cc1)S(C)(=O)=O ZINC000026162944 HG Annotated Anodyne COc1ccc2cc([C@@H]3[C@@H](O)C(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000026170678 HG Annotated Anodyne COc1ccc2cc([C@H]3[C@@H](O)C(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000026170682 HG Annotated Anodyne COc1ccc2cc([C@@H]3[C@H](O)C(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000026170687 HG Annotated Anodyne COc1ccc2cc([C@H]3[C@H](O)C(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000026170690 HG Annotated Anodyne C[C@@]1(CSc2nc3ccccc3s2)S[C@@H]2[C@@H](Cl)C(=O)N2[C@H]1C(=O)O ZINC000026172956 HG Annotated Reactive CCO[C@@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026246801 HG Annotated Anodyne CCO[C@H](/C=C/c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026246808 HG Annotated Anodyne CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(S(C)(=O)=O)cc2)c1=O ZINC000026252216 HG Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(N3CCc4ccccc4C3)ccc2c1=O ZINC000026253746 HG Annotated Anodyne CCN(CC)CCn1c2cc(N3CCCC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000026258075 HG Annotated Bother C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(I)ccc3O)CCN12 ZINC000026273796 HG Annotated Anodyne CN(NS(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026275965 HG Annotated Anodyne CC(C)Sc1c(C(=O)Nc2nnn[nH]2)oc(Br)c1Br ZINC000026288169 HG Annotated Anodyne CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@@H](c2ccc(F)cc2)N(C)C1 ZINC000026377225 HG Annotated Anodyne CC(C)NC(=O)OCC1=C(COC(=O)NC(C)C)[C@H](c2ccc(F)cc2)N(C)C1 ZINC000026377226 HG Annotated Anodyne COc1ccc([C@H]2C(COC(=O)NC(C)C)=C(COC(=O)NC(C)C)CN2C)cc1 ZINC000026379397 HG Annotated Anodyne COc1ccc([C@@H]2C(COC(=O)NC(C)C)=C(COC(=O)NC(C)C)CN2C)cc1 ZINC000026379400 HG Annotated Anodyne CC(=O)OCCOc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5 ZINC000026381008 HG Annotated Anodyne N#CCCNC(=O)C1=CC(C(F)(F)F)(C(F)(F)F)Oc2ccc([N+](=O)[O-])cc21 ZINC000026389575 HG Annotated Mild COc1ccc(/C=C2\C(=O)N(c3nnn[nH]3)N=C2C)cc1OCc1ccccc1Cl ZINC000026441040 HG Annotated Clean Cc1nc(-c2cc(C)c(OCCCc3cc(CS(C)(=O)=O)no3)c(C)c2)no1 ZINC000026478575 HG Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1OC(C)=O ZINC000026494348 HG Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H]1OC(C)=O ZINC000026494351 HG Annotated Anodyne COc1cncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)n1 ZINC000261081827 HG Annotated Anodyne NC(=O)c1cnc(N[C@@H]2CC[C@@H](N)CC2)c2nc(-c3ccc(Cl)c(Cl)c3)cn12 ZINC000261087813 HG Annotated Anodyne NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2ccccc2[N+](=O)[O-])c1=O ZINC000261088721 HG Annotated Clean CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1F ZINC000261089900 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@H](C2)C3(F)F)cc1F ZINC000261089903 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261089905 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261089909 HG Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(N)cc1 ZINC000261095435 HG Annotated Anodyne CS(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 ZINC000261095843 HG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CSC(=S)NN=Cc1ccccc1O)C2=O ZINC000261102908 HG Annotated Mild aggregator CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 ZINC000261105618 HG Annotated Mild NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccc([N+](=O)[O-])c2)c1=O ZINC000261105862 HG Annotated Clean CCN(CCC#N)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 ZINC000261116355 HG Annotated Mild CCOc1nc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cs1 ZINC000261116502 HG Annotated Mild [C-]#[N+]c1ccc(NC[C@@]2(C)CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 ZINC000261120537 HG Annotated Anodyne [C-]#[N+]c1ccc(NC[C@]2(C)CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1 ZINC000261120539 HG Annotated Anodyne NC(=O)C(=NOC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000261126931 HG Annotated Mild CC(C)c1cc(NS(=O)(=O)c2ccco2)cc2c(C(N)=O)c(NC(N)=O)sc12 ZINC000261129677 HG Annotated Anodyne CSC1CN(C(=O)c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)C1 ZINC000261132373 HG Annotated Anodyne Cc1nn(C2COC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261133478 HG Annotated Anodyne Cc1nn(C2COC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O ZINC000261133495 HG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4COC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261138406 HG Annotated Anodyne Cc1cc(N2C(=O)c3nn(C4COC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261138408 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F ZINC000261145118 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000261145119 HG Annotated Anodyne O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OCC2CCCCC2)cc1F ZINC000261147848 HG Annotated Anodyne Cc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](CO)c4ccccc4)ncc23)ccn1 ZINC000261150501 HG Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc(C4CC4)n[nH]3)c2)c2cncnc21 ZINC000261151566 HG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@H]2CCCC(F)(F)C2)cc1F ZINC000261162448 HG Annotated Anodyne CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@H]2CCCC(F)(F)C2)cc1F ZINC000261162449 HG Annotated Anodyne Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CO)c4ccc(F)cc4)ncc23)ccn1 ZINC000261165245 HG Annotated Anodyne Cc1oncc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000261169670 HG Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cccnc1 ZINC000261170510 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)cc1F ZINC000261171848 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)cc1F ZINC000261171849 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1F ZINC000261171850 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1F ZINC000261171851 HG Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CO)nn3C3CC3)[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261172534 HG Annotated Anodyne Cc1cc(N2C(=O)c3c(c(CO)nn3C3CC3)[C@H]2c2ccc(Cl)cc2)cn(C)c1=O ZINC000261172537 HG Annotated Anodyne Cc1cc(Oc2ncccc2N2CC(F)(F)C2)ccc1-c1c(C)c(O)nc(=O)n1C ZINC000261173095 HG Annotated Anodyne COCCOC[C@@H](NC(=O)Nc1cc2[nH]nc(C(F)F)c2cn1)c1ccccc1 ZINC000261181034 HG Annotated Anodyne CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2(C(F)(F)F)CCC2)cc1F ZINC000261183688 HG Annotated Anodyne CCOCC1CN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 ZINC000261186675 HG Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2C[C@H]3[C@H](C2)C3(F)F)cc1F ZINC000261187568 HG Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OCC2C[C@@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261187569 HG Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(Cl)c(OC[C@@H]2C[C@H]3[C@@H](C2)C3(F)F)cc1F ZINC000261187570 HG Annotated Anodyne COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(F)cc1 ZINC000261187884 HG Annotated Anodyne CCN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(=O)C(F)F)cc3)C2)n1 ZINC000261187997 HG Annotated Anodyne CCN(C)c1nccc(N2CC[C@H](Oc3ccc([C@H](C)NC(=O)C(F)F)cc3)C2)n1 ZINC000261187998 HG Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccn(C4COC4)n3)c2cn1)c1ccccc1 ZINC000261191093 HG Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590238 HG Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590239 HG Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)cc1 ZINC000263590273 HG Annotated Anodyne CCc1ccc(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)cc1 ZINC000263590274 HG Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@H]3C(c4c(F)cccc4Cl)=NO[C@H]3C2)c1 ZINC000263590381 HG Annotated Anodyne Cc1ccc(F)c(S(=O)(=O)N2C[C@@H]3ON=C(c4c(F)cccc4Cl)[C@H]3C2)c1 ZINC000263590382 HG Annotated Anodyne CCN(Cc1ccccc1)C(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590712 HG Annotated Anodyne CCN(Cc1ccccc1)C(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590713 HG Annotated Anodyne CCN(Cc1ccccc1)C(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000263590714 HG Annotated Anodyne CCN(Cc1ccccc1)C(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3 ZINC000263590715 HG Annotated Anodyne CC[C@H](NC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2)c1ccccc1 ZINC000263590997 HG Annotated Anodyne CC[C@H](NC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3)c1ccccc1 ZINC000263590998 HG Annotated Anodyne CC[C@H](NC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2)c1ccccc1 ZINC000263590999 HG Annotated Anodyne CC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3)C[C@@]23C=C[C@H]1O3)c1ccccc1 ZINC000263591000 HG Annotated Anodyne O=C(NCc1ccc(Br)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O ZINC000263591079 HG Annotated Anodyne O=C(NCc1ccc(Br)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2=O ZINC000263591080 HG Annotated Anodyne C[C@H](S[C@@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 ZINC000263591152 HG Annotated Reactive N#Cc1ccc(OCC(=O)NN/C=C2\SC(=Nc3ccccc3)N=C2Cl)cc1 ZINC000263591502 HG Annotated Reactive C[C@@H]1Cc2cc(/C(O)=C3/C(=O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3ccco3)ccc2O1 ZINC000263591597 HG Annotated Mild CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1c1ccccc1 ZINC000263591604 HG Annotated Anodyne CCOC(=O)C1=C(C)/C(=C(\C)NNc2ccc(C(=O)O)cc2)SC1=NC(C)=O ZINC000263591729 HG Annotated Mild COc1ccc(N2C(=NC(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591757 HG Annotated Mild COc1ccc(N2C(=NC(=O)CC3CCCCC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000263591758 HG Annotated Mild COc1ccc(N2C(=NC(=O)CC3CCCCC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000263591759 HG Annotated Mild CCN=c1scc(C)n1NC=C1C=C(Br)C(=O)C(Br)=C1 ZINC000263591951 HG Annotated Mild Cc1c(N=c2scc(-c3ccccc3)n2CCO)c(=O)n(-c2ccccc2)n1C ZINC000263592058 HG Annotated Anodyne Cc1c(N=C2SCC(=O)N2/N=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000263592241 HG Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@@H]2O)c1C ZINC000263599941 HG Annotated Anodyne Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2ccc(N=Nc3ccccc3)c(O)c12 ZINC000263606053 HG Annotated Clean NC(=S)N=C(c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccccc1Cl ZINC000263611849 HG Annotated Mild NC(=S)N=C(c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccccc1Cl ZINC000263611850 HG Annotated Mild Nc1ccc(N=Nc2c(S(=O)(=O)O)cc3ccccc3c2S(=O)(=O)O)cc1 ZINC000263611901 HG Annotated Clean COc1cc(-c2n[nH]c3ccc(/C=C(\C#N)n4cncn4)cc23)cc(OC)c1OC ZINC000263620673 HG Annotated Reactive COc1cc(-c2n[nH]c3ccc(/C=C(/C#N)n4cncn4)cc23)cc(OC)c1OC ZINC000263620674 HG Annotated Reactive CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NCCCOC)nc21 ZINC000263620697 HG Annotated Anodyne Cc1c(C(F)(F)F)cc2nc(C3=N[C@H](C(=O)N4CCCC4)CO3)sc2c1NO ZINC000263620879 HG Annotated Anodyne Cc1nc2cnc(Nc3ccnc(OCC(C)(C)S(C)(=O)=O)n3)cc2n1C(C)C ZINC000263621040 HG Annotated Anodyne O=C(c1ccc(Br)s1)[C@H]1CNC[C@@H]1c1ccc2c(O)ncnc2c1 ZINC000263621371 HG Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@]1(C)CCC[C@@]21CO1 ZINC000263636898 HG Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(C)CCC[C@]21CO1 ZINC000263636899 HG Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@]1(C)CCC[C@]21CO1 ZINC000263636900 HG Annotated Anodyne O=C1NC[C@@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000026570404 HG Annotated Anodyne O=C1NC[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000026570408 HG Annotated Anodyne CCC[C@@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026571481 HG Annotated Anodyne CCC[C@H](CC(=O)O)N1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O ZINC000026571485 HG Annotated Anodyne CCC[C@@H](CN1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O)C(=O)O ZINC000026572086 HG Annotated Anodyne CCC[C@H](CN1CCc2cc(OCc3ccc(C(=N)N)cc3)ccc2C1=O)C(=O)O ZINC000026572090 HG Annotated Anodyne COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ncccc3c2=O)cc1OC ZINC000026579150 HG Annotated Anodyne CC(C)/N=C(/N)c1ccc(N2CCN(c3ccc(/C(N)=N\C(C)C)cc3)CC2)cc1 ZINC000026580108 HG Annotated Mild O=C(O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000026657403 HG Annotated Anodyne O=C(O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000026657408 HG Annotated Anodyne COc1ccccc1CN1[C@@H](C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O ZINC000026663919 HG Annotated Anodyne COc1ccccc1CN1[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c2S1(=O)=O ZINC000026663924 HG Annotated Anodyne COC(=O)C1=C[C@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@@]15CC2)[C@@H]43 ZINC000026670610 HG Annotated Anodyne O=C[C@@H](NS(=O)(=O)c1ccccc1Oc1ccc(C2CCCCC2)cc1)C(=O)O ZINC000026670922 HG Annotated Mild O=C[C@@H](NS(=O)(=O)c1ccccc1Oc1ccc(C2CCCC2)cc1)C(=O)O ZINC000026674491 HG Annotated Mild Cc1ccc(-c2csc(SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)n2)cc1 ZINC000026718895 HG Annotated Anodyne NC(=O)c1nnn(Cc2ccc(C(=O)c3ccc(Cl)cc3Cl)c(Cl)c2)c1N ZINC000026720707 HG Annotated Anodyne NC(=O)c1c(N)nnn1Cc1cc(Cl)c(C(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000026723008 HG Annotated Anodyne CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN[C@@H]4CN[C@H](CO)C4)c23)cc1 ZINC000026724216 HG Annotated Anodyne CC(C)(C)c1ccc(COc2cccc3[nH]nc(CN[C@H]4CN[C@H](CO)C4)c23)cc1 ZINC000026726627 HG Annotated Anodyne CCS(=O)(=O)CCn1c(=N)sc2cc(OC(F)(F)C(F)(F)F)ccc21 ZINC000026726733 HG Annotated Anodyne O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000026726961 HG Annotated Reactive Nc1ccc(-c2nn(C(=O)NC3CCCCC3)c(=O)c3cc4c(cc23)OCO4)cc1 ZINC000026729330 HG Annotated Anodyne O=C1CCCN1[C@@H]1c2cc(C(F)(F)C(F)(F)F)ccc2OC(CF)(CF)[C@H]1O ZINC000026730009 HG Annotated Mild O=C(NCc1ccccc1)N1CCC[C@@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026734416 HG Annotated Anodyne O=C(NCc1ccccc1)N1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12 ZINC000026734420 HG Annotated Anodyne NC(=O)c1nnn(Cc2ccc(C(=O)c3c(Cl)cc(Cl)cc3Cl)cc2)c1N ZINC000026735321 HG Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(CN(C)C)c24)cc1 ZINC000026745993 HG Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]c(C)c(C(C)=O)c24)cc1 ZINC000026745998 HG Annotated Mild C1=C2CC3(CC[C@@H]2[C@H]2[C@@H]4C[C@]5([C@@H](CCC56OCCO6)[C@@H]2C1)[C@@]1(CO1)C4)OCCO3 ZINC000026746163 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(CCC[C@@H](O)c3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000026747131 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(CCC[C@@H](O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000026747136 HG Annotated Anodyne C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000026820344 HG Annotated Anodyne N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4ccccn4)CC3)C2=O)c1 ZINC000026823692 HG Annotated Anodyne COc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2 ZINC000026824100 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cn4ccccc4[n+]3C)cc2)cc1 ZINC000026835528 HG Annotated Mild COC(=O)c1cc(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)cc(C(=O)OC)c1 ZINC000026838709 HG Annotated Anodyne CN(CCCl)P(=O)(OCC1=CC(=O)c2ccccc2C1=O)N(C)CCCl ZINC000026850976 HG Annotated Reactive CC1=C(CO[P@@](N)(=O)N(CCCl)CCCl)C(=O)c2ccccc2C1=O ZINC000026852143 HG Annotated Reactive CN(C(=O)CCCSc1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 ZINC000026936520 HG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]3C1=O ZINC000026950779 HG Annotated Anodyne COC(=O)[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]3C1=O ZINC000026950789 HG Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(Cc2ccccc2)cn3-c2nccs2)C1 ZINC000026970196 HG Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(Cc2ccccc2)cn3-c2nccs2)C1 ZINC000026970204 HG Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCOC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026970778 HG Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000026972199 HG Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1 ZINC000026972208 HG Annotated Anodyne Nc1ccnc2c1C(=O)c1c(-c3ccccc3NC(=O)C(F)(F)F)ccnc1C2=O ZINC000026978829 HG Annotated Clean Cc1ccc(-c2nc3c(nc2-c2ccc(Cl)cc2)C(N)=NS(=O)(=O)N3C)cc1 ZINC000026979681 HG Annotated Anodyne COC(=O)Cn1nnc(-c2cc(C)c(OCCCCCc3cc(C)no3)c(C)c2)n1 ZINC000026981251 HG Annotated Anodyne C[C@@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000026982692 HG Annotated Anodyne C[C@H]1CCCC2=C1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O ZINC000026982699 HG Annotated Anodyne C[C@@H]1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000026982736 HG Annotated Anodyne C[C@H]1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1 ZINC000026982744 HG Annotated Anodyne Cc1ccc(-c2nc3c(nc2-c2ccc(Cl)cc2)N(C)S(=O)(=O)N=C3N)cc1 ZINC000026984538 HG Annotated Anodyne CC(=O)NCc1cccc(-c2csc(/N=C(/N)NCCOCc3ccccc3)n2)c1 ZINC000026988185 HG Annotated Mild C[C@@H]1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1 ZINC000026991216 HG Annotated Anodyne C[C@H]1CCCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)C1 ZINC000026991224 HG Annotated Anodyne COc1cc2c(=O)n(CCN(C)C)c3c(cnc4cccc([N+](=O)[O-])c43)c2cc1OC ZINC000026994903 HG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2c1 ZINC000027031973 HG Annotated Anodyne COc1cc2c(=O)n(CCN(C)C)c3c4cccc([N+](=O)[O-])c4ncc3c2cc1OC ZINC000027073502 HG Annotated Bother COc1cc2c(=O)n(CCN(C)C)c3c4ccc([N+](=O)[O-])cc4ncc3c2cc1OC ZINC000027076717 HG Annotated Bother COc1cc2c(=O)n(CCN(C)C)c3c4cc([N+](=O)[O-])ccc4ncc3c2cc1OC ZINC000027079306 HG Annotated Bother CCc1c(Sc2cc(Cl)cc(Cl)c2)n(CSCCO)c(=O)[nH]c1=O ZINC000027094729 HG Annotated Anodyne COC(=O)C(Cc1ccc(OCCOc2ccc3c(c2)NCCC3)cc1)C(=O)OC ZINC000027102276 HG Annotated Anodyne CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 ZINC000027103428 HG Annotated Anodyne CCCCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCNCCO)c2c1 ZINC000027108990 HG Annotated Bother CCN(CC)C/C(O)=N/c1nc2cc3nc(NC(=O)CCl)sc3cc2s1 ZINC000027184449 HG Annotated Reactive COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)Cc1cc(OCCN)ccc1-3 ZINC000027185907 HG Annotated Anodyne O=C1c2cc3c(cc2[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1C(=O)N2CCCCl)OCO3 ZINC000027191982 HG Annotated Reactive CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CON=C(N)N)CC2)c1 ZINC000027193105 HG Annotated Mild CO/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(C(=N)NOC)cc4)cc3)cn2c1 ZINC000027194197 HG Annotated Mild CO/N=C(\N)c1ccc2nc(-c3ccc(-c4ccc(C(=N)NOC)cc4)o3)cn2c1 ZINC000027194866 HG Annotated Mild N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(Cc2ccoc2)CC2CC2)c1 ZINC000027195435 HG Annotated Anodyne CCCn1c(=O)c2nn(C(=O)/C=C/c3ccccc3)c(=O)n2c2ccc(Cl)cc21 ZINC000027196460 HG Annotated Anodyne C=CCN(Cc1cccs1)C(=O)c1cc(Cl)cc(OCCCONC(=N)N)c1 ZINC000027201468 HG Annotated Mild Cc1cc(OCCCON=C(N)N)cc(C(=O)N(CCC(C)C)Cc2ccoc2)c1 ZINC000027202704 HG Annotated Mild CCC1(CC)C(=O)N(C(=O)NCc2ccc(N)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027202755 HG Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccc(N)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027202760 HG Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccc(O)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027204971 HG Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccc(O)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027204977 HG Annotated Anodyne Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccsc2)CC2CC2)c1 ZINC000027206843 HG Annotated Mild CCCN(CC1CCCC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1 ZINC000027207259 HG Annotated Mild CCC1(CC)C(=O)N(C(=O)NCc2ccccc2O)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210563 HG Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccccc2O)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027210566 HG Annotated Clean CCC1(CC)C(=O)N(C(=O)NCc2ccccc2N)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000027211133 HG Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2N)[C@H]1Oc1ccc(C(=O)O)cc1 ZINC000027211136 HG Annotated Anodyne C[C@H](O)[C@H]1C(=O)[C@H]2C(C(=O)O)=C(Sc3csc4nc5ccccc5n34)[C@H](C)[C@H]12 ZINC000027303931 HG Annotated Anodyne C[C@H](O)[C@H]1C(=O)[C@@H]2C(C(=O)O)=C(Sc3csc4nc5ccccc5n34)[C@H](C)[C@@H]21 ZINC000027303937 HG Annotated Anodyne CCCCOC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027311318 HG Annotated Anodyne CC(=O)S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000027311688 HG Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000027311693 HG Annotated Anodyne CC(=O)S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000027311699 HG Annotated Anodyne CC(=O)S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000027311704 HG Annotated Anodyne CCCCCC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027312114 HG Annotated Anodyne COC(=O)c1cc2c(cc1OCc1ccccc1)N(S(C)(=O)=O)C[C@@H]2CCl ZINC000027412158 HG Annotated Reactive COC(=O)c1cc2c(cc1OCc1ccccc1)N(S(C)(=O)=O)C[C@H]2CCl ZINC000027412164 HG Annotated Reactive CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2Cl)C1 ZINC000027414998 HG Annotated Anodyne CCCN(C(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1)C(=O)C(F)(F)F ZINC000027417725 HG Annotated Anodyne C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c2c1Cl ZINC000027421965 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)Nc2ccccc2)C3)C(=O)O1 ZINC000027423033 HG Annotated Anodyne OCCOCn1cnc2c(O)n3c(-c4ccccc4)c(-c4ccccc4)nc3nc21 ZINC000027426407 HG Annotated Anodyne C(=NNC1=NCCC1)c1ccc(-c2cn3cc(C=NNC4=NCCC4)ccc3n2)cc1 ZINC000027435579 HG Annotated Anodyne C(=N/NC1=NCCC1)\c1ccc(-c2cn3cc(/C=N/NC4=NCCC4)ccc3n2)cc1 ZINC000027435593 HG Annotated Mild CNC(=O)/C=C(/c1ccc(OC)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 ZINC000027442066 HG Annotated Anodyne COC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000027518117 HG Annotated Anodyne COC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000027518118 HG Annotated Anodyne C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000027518600 HG Annotated Anodyne C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]12OCO[C@@]21COCO1 ZINC000027518969 HG Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)[C@@H](O)c1ccccc1 ZINC000027523092 HG Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)[C@@H](O)c1ccccc1 ZINC000027523093 HG Annotated Anodyne O=C(O)c1cn2c3c(cc(N4CCN(Cc5ccccc5)CC4)cc3c1=O)SCC2 ZINC000027524342 HG Annotated Anodyne COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@H]1CC2=O ZINC000027524552 HG Annotated Anodyne COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1CC2=O ZINC000027524553 HG Annotated Anodyne C[C@@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027524761 HG Annotated Anodyne C[C@]1(N)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 ZINC000027524762 HG Annotated Anodyne COC(=O)c1cc2c(cc1NS(C)(=O)=O)C=C[C@H]1[C@@](C)(C(=O)OC)CCC[C@]21C ZINC000027524763 HG Annotated Anodyne COC(=O)Cc1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)OC)[C@@H]1C=C2 ZINC000027525463 HG Annotated Anodyne N[C@@H]1CCN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000027526000 HG Annotated Anodyne N[C@H]1CCN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1 ZINC000027526002 HG Annotated Anodyne Cc1c(F)c(N2CC[C@@H](N)C2)c(C(F)(F)F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027526008 HG Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)c(C(F)(F)F)c2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027526010 HG Annotated Anodyne CC(=O)O[C@@H]1c2c(ccc3c(=O)c4ccccc4n(C)c23)OC(C)(C)[C@@H]1OC(C)=O ZINC000027546830 HG Annotated Bother O=C(OCCCN1CCN(c2cncc(Cl)n2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000027558706 HG Annotated Anodyne N[P@@](=O)(OCCc1noc2ccc([N+](=O)[O-])cc12)N(CCCl)CCCl ZINC000027621168 HG Annotated Reactive N[P@](=O)(OCCc1noc2ccc([N+](=O)[O-])cc12)N(CCCl)CCCl ZINC000027621174 HG Annotated Reactive COC(=O)/C=C/C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)Oc1ccc(Cl)cc1 ZINC000027627461 HG Annotated Anodyne COc1cc(C=O)c(-c2cc3c(cc2C[C@@H]2COC(=O)C2)OCO3)c(OC)c1OC ZINC000027628638 HG Annotated Anodyne COc1cc(C=O)c(-c2cc3c(cc2C[C@H]2COC(=O)C2)OCO3)c(OC)c1OC ZINC000027628643 HG Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 ZINC000027629124 HG Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 ZINC000027629129 HG Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 ZINC000027629134 HG Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@@H]3O[C@]312 ZINC000027629139 HG Annotated Anodyne COc1cc(C[C@@H]2CCOC2=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC ZINC000027629385 HG Annotated Anodyne COc1cc(C[C@H]2CCOC2=O)c(-c2cc3c(cc2C=O)OCO3)c(OC)c1OC ZINC000027629391 HG Annotated Anodyne CC(=O)Oc1ccc(-c2csc(/N=C(/N)NCc3ccccc3)n2)cc1OC(C)=O ZINC000027629527 HG Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000027629639 HG Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCN4CCCCC4)ccc31)C(=O)c1ccncc1-2 ZINC000027634898 HG Annotated Clean CS(=O)(=O)c1ccc(CCNCCCCCCN[C@@H]2CCc3[nH]ccc3C2)cc1 ZINC000027641071 HG Annotated Anodyne CS(=O)(=O)c1ccc(CCNCCCCCCN[C@H]2CCc3[nH]ccc3C2)cc1 ZINC000027641079 HG Annotated Anodyne CN1CCC2(CC1)NCc1cc(C(C)(C)C)cc(I)c1O2 ZINC000027648936 HG Annotated Anodyne CCN(CC)CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1c(C)cccc1C ZINC000027649063 HG Annotated Anodyne c1cc(-c2nnc(-c3ccc(C4=NCCCN4)cc3)s2)ccc1C1=NCCCN1 ZINC000027650463 HG Annotated Anodyne CCN(CC)CC(=O)N(CCN1C(=O)c2ccccc2C1=O)c1c(C)cccc1C ZINC000027655391 HG Annotated Anodyne CN(C)c1ccccc1C[S@@](=O)c1nccn1-c1ccc(Br)cn1 ZINC000027709137 HG Annotated Anodyne CN(C)c1ccccc1C[S@](=O)c1nccn1-c1ccc(Br)cn1 ZINC000027709142 HG Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc12 ZINC000027718505 HG Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc12 ZINC000027718512 HG Annotated Anodyne COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc12 ZINC000027718519 HG Annotated Anodyne COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(C)=O)c1cc(=O)c(SC)ccc12 ZINC000027718525 HG Annotated Anodyne O=c1c2c(=O)n(-c3ccccc3)c(=S)n3c2n(c(=S)n1-c1ccccc1)CC3 ZINC000027721072 HG Annotated Anodyne COC(=O)N1C=CC([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OC)=CC1 ZINC000027728832 HG Annotated Anodyne COC(=O)N1C=CC([C@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OC)=CC1 ZINC000027728839 HG Annotated Anodyne COC(=O)N1C=CC=C([C@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OC)C1 ZINC000027729958 HG Annotated Anodyne N=c1c2c(=O)n(-c3ccccc3)c(=S)n3c2n(c(=S)n1-c1ccccc1)CC3 ZINC000027735826 HG Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@@H](C)N1CCCCCC1)C3 ZINC000027736100 HG Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(C[C@H](C)N1CCCCCC1)C3 ZINC000027736106 HG Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1C[C@H]2CCC[C@H](C2)C1)C3 ZINC000027739438 HG Annotated Anodyne CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@@H](C)N1CCCC1)C3 ZINC000027742690 HG Annotated Anodyne CCOc1cc2oc(=O)c3c(c2cc1OCC)CCN(C[C@H](C)N1CCCC1)C3 ZINC000027742700 HG Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)OC2)cc1[N+](=O)[O-] ZINC000027748367 HG Annotated Bother N=C(N)SCCCn1c(-c2ccccc2)c(C2=CC(=O)NC2=O)c2ccccc21 ZINC000027749427 HG Annotated Anodyne COc1cc2oc(=O)c3c(c2cc1OC)CCN(CCN1CC2CCC(CC2)C1)C3 ZINC000027756319 HG Annotated Anodyne COCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027848759 HG Annotated Clean CC(=O)Oc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027850100 HG Annotated Clean CNc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)NCCN(C)C ZINC000027855847 HG Annotated Clean CC(=O)COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000027856236 HG Annotated Clean CCN(CC)C(=O)COc1c(I)cc(C(C)(C)C)cc1CN ZINC000027856411 HG Annotated Anodyne COc1ccc2c(ccc3nc4cccc(C(=O)NCCN(C)C)c4nc32)c1OC ZINC000027857258 HG Annotated Clean COc1ccc2nc3ccc4c(OC)cccc4c3nc2c1C(=O)NCCN(C)C ZINC000027858546 HG Annotated Clean COc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000027860477 HG Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1CCSCC1 ZINC000027869768 HG Annotated Anodyne O[C@@H]1[C@@H](CBr)O[C@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000027876103 HG Annotated Reactive COc1cc2c(cc1OC)C1=C(c3ccc(Br)cc3)C(=O)C(=O)N1CC2 ZINC000027884374 HG Annotated Mild CC[C@@]12C=C(C(=O)OCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027887849 HG Annotated Anodyne COc1cc2c(cc1OC)C1=C(c3cccc(Br)c3)C(=O)C(=O)N1CC2 ZINC000027887884 HG Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2scnc2C)CC1 ZINC000027893155 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCSc2nccn2C)CC1 ZINC000027894564 HG Annotated Anodyne O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)CC/C1=C\c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000027895913 HG Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)c2cccs2)CC1 ZINC000027900355 HG Annotated Anodyne COc1cc2c(cc1OC)C1=C(c3ccccc3Br)C(=O)C(=O)N1CC2 ZINC000027901656 HG Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@@H](O)c2cccs2)CC1 ZINC000027977714 HG Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@H](O)c2cccs2)CC1 ZINC000027977716 HG Annotated Anodyne O[C@@H](CN1CCC(/N=C(\S)Nc2ccccc2)CC1)[C@@H]1COc2ccccc2O1 ZINC000027985462 HG Annotated Mild O[C@H](CN1CCC(/N=C(\S)Nc2ccccc2)CC1)[C@@H]1COc2ccccc2O1 ZINC000027985469 HG Annotated Mild O[C@@H](CN1CCC(/N=C(\S)Nc2ccccc2)CC1)[C@H]1COc2ccccc2O1 ZINC000027985474 HG Annotated Mild O[C@H](CN1CCC(/N=C(\S)Nc2ccccc2)CC1)[C@H]1COc2ccccc2O1 ZINC000027985479 HG Annotated Mild O=C(C1CCNCC1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027997048 HG Annotated Anodyne O=C(C1CCNCC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027997053 HG Annotated Anodyne CCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](c2nnn[nH]2)CO3)cc1 ZINC000028003358 HG Annotated Anodyne CCCOc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](c2nnn[nH]2)CO3)cc1 ZINC000028003363 HG Annotated Anodyne COc1cc2c(cc1OCCC(=O)N1CCc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000028004054 HG Annotated Anodyne COc1cc2c(cc1OCCC(=O)N1Cc3ccccc3C1)N=C[C@@H]1CCCN1C2=O ZINC000028005826 HG Annotated Anodyne CCOC(=O)COc1ccc(C(=O)Nc2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000028006485 HG Annotated Clean O=C1Oc2ccccc2[C@H](O)[C@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000028008058 HG Annotated Anodyne O=C1Oc2ccccc2[C@@H](O)[C@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000028008062 HG Annotated Anodyne O=C1Oc2ccccc2[C@H](O)[C@@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000028008066 HG Annotated Anodyne O=C1Oc2ccccc2[C@@H](O)[C@@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000028008070 HG Annotated Anodyne CCOC(=O)COc1ccc([S@@](=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000028009058 HG Annotated Clean CCOC(=O)COc1ccc([S@](=O)c2ccc(O)c(CN)c2)c(Cl)c1Cl ZINC000028009064 HG Annotated Clean COc1ccc(-c2nnc(O)n3c(Br)c(Br)nc23)cc1 ZINC000028009273 HG Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C2=NO[C@@H](CO)C2)[C@]13C(=O)O ZINC000028010484 HG Annotated Mild COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(C)cc1)C3=CC2=O ZINC000028092178 HG Annotated Mild CN1C(C(=O)Nc2ncc(-c3ccccc3)s2)=C(O)c2ccccc2S1(=O)=O ZINC000028094508 HG Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)c3ccc4ccccc4c3S(=O)(=O)N2C)s1 ZINC000028100170 HG Annotated Anodyne CN(C)C(=O)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1C(=O)O)OCO3 ZINC000028112157 HG Annotated Anodyne O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2CN1CCCO)OCO4 ZINC000028112485 HG Annotated Anodyne Cc1cc(C)c(S(=O)(=O)c2nc(Nc3ccc(C#N)cc3)c(=O)n(C)c2C)c(C)c1 ZINC000028113366 HG Annotated Mild Cc1c(Sc2ccccc2)n(COCc2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O ZINC000028120297 HG Annotated Bother CCc1c(Sc2ccccc2)n(COCc2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O ZINC000028120304 HG Annotated Bother N#Cc1c(Cl)cccc1OC[C@H](O)CN1CCC[C@H]1[C@H](O)c1cccc(F)c1 ZINC000028126219 HG Annotated Mild N#Cc1c(Cl)cccc1OC[C@H](O)CN1CCC[C@H]1[C@@H](O)c1cccc(F)c1 ZINC000028126225 HG Annotated Mild O=C(O)C[C@@H](c1cnc[nH]1)N(CCCCCCO)Cc1c[nH]c(-c2ccccc2)n1 ZINC000028126263 HG Annotated Anodyne O=C(O)C[C@H](c1cnc[nH]1)N(CCCCCCO)Cc1c[nH]c(-c2ccccc2)n1 ZINC000028126270 HG Annotated Anodyne Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(C(=O)NCC(=O)O)CCCC3)cc2)c1 ZINC000028218083 HG Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1 ZINC000028218420 HG Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2oc(CO)cc(=O)c2O)cc1 ZINC000028218426 HG Annotated Anodyne COc1cc([C@@]23OC[C@@]24[C@H]2[C@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000028219836 HG Annotated Anodyne COc1cc([C@]23OC[C@@]24[C@H]2[C@H](OC[C@H]24)c2cc4c(cc23)OCO4)cc(OC)c1OC ZINC000028219841 HG Annotated Anodyne O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1ccc[nH]1 ZINC000028226705 HG Annotated Reactive O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]1F ZINC000028230747 HG Annotated Anodyne O=C(N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000028338455 HG Annotated Anodyne O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000028338462 HG Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccncc1 ZINC000028345113 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2cc3cccc(Br)c3oc2=O)cc1 ZINC000028346333 HG Annotated Anodyne COc1ccc(Sc2ccc(OC)cc2N2CCN(CC(=O)O)[C@@H](C)C2)cc1 ZINC000028348518 HG Annotated Anodyne C[C@@H]1CCCc2sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c3c21 ZINC000028353944 HG Annotated Reactive C[C@H]1CCCc2sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c3c21 ZINC000028353952 HG Annotated Reactive NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2ncsc2c1 ZINC000028355026 HG Annotated Reactive O=C(Nc1ccc2nc(O)oc2c1)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000028364052 HG Annotated Anodyne CC(C)C[C@H](Nc1cscc1-c1ccc(N2CCNCC2)cc1)C(=O)NCC#N ZINC000028364294 HG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(Sc3ccc(NC(C)=O)cc3)c(F)c2)C(=O)O1 ZINC000028367085 HG Annotated Anodyne COc1ccc2oc(=O)c(S(=O)(=O)Nc3ccc(Br)cc3)cc2c1 ZINC000028369424 HG Annotated Anodyne CCNS(=O)(=O)c1cc(-c2nn(C)/c(=N/C3CCCCC3)s2)ccc1Cl ZINC000028370880 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(Oc3ccccc3NC(C)=O)c(F)c2)C(=O)O1 ZINC000028378491 HG Annotated Anodyne CCOCC[n+]1ccc(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)cc1 ZINC000028398053 HG Annotated Anodyne CCOCC[n+]1ccc(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)cc1 ZINC000028398058 HG Annotated Anodyne COc1cc2c3cnc4cc5c(cc4c3c(=O)n(CCN(C)C)c2cc1OC)OCO5 ZINC000028456242 HG Annotated Bother COC(=O)C[N+]1(C)CCC(CCC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3S2)CC1 ZINC000028458825 HG Annotated Mild COC(=O)C[N+]1(C)CCC(CCC(=O)[C@H]2Cc3cc(OC)c(OC)cc3S2)CC1 ZINC000028458828 HG Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccc(Br)cc2)s1 ZINC000028459703 HG Annotated Mild O=C(Cc1csc(NC(=O)c2cnccc2Oc2ccc(Cl)cc2)n1)NO ZINC000028460971 HG Annotated Bother O=C(COCc1ccccc1)OCCc1scnc1C(=O)Nc1nccs1 ZINC000028461388 HG Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c(=O)o1 ZINC000028461497 HG Annotated Anodyne CC(C)(C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 ZINC000028463752 HG Annotated Bother O=C(O)c1cc(F)c(N(CCBr)CCBr)c(F)c1F ZINC000028470591 HG Annotated Reactive CC(C)N(CCN1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC1=O)C(C)C ZINC000028471437 HG Annotated Anodyne O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CCOC(=S)Nc1ccc(Br)cc1 ZINC000028520228 HG Annotated Anodyne COc1cc2cc(C(=O)NC3=C(CCCl)CCC(N)=C3)[nH]c2c(OC)c1OC ZINC000028520413 HG Annotated Reactive O=C1C(Nc2ccc(I)cc2)=CC(=O)c2sc(CO)cc21 ZINC000028520495 HG Annotated Mild C[C@@H](CCOc1ccc(-c2nnn(C)n2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028520587 HG Annotated Anodyne C[C@H](CCOc1ccc(-c2nnn(C)n2)cc1)CCN1CCN(c2ccncc2)C1=O ZINC000028520589 HG Annotated Anodyne CCNCCn1c(=O)c2cc(OC)c(OC)cc2c2cnc3cc4c(cc3c21)OCO4 ZINC000028522567 HG Annotated Bother CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000028524289 HG Annotated Anodyne Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1 ZINC000028524683 HG Annotated Anodyne Cc1ccc(C(=O)CNC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C ZINC000028525219 HG Annotated Anodyne O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1 ZINC000028525812 HG Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1)c1cccs1 ZINC000028526583 HG Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)OC(C)(C)C)C1)N2 ZINC000028529625 HG Annotated Anodyne COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@]1(CCN(C(=O)OC(C)(C)C)C1)N2 ZINC000028529627 HG Annotated Anodyne CN1C(=O)COc2ccc([C@@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc21 ZINC000028530741 HG Annotated Anodyne CN1C(=O)COc2ccc([C@H](Cn3ccnc3)OC(=O)c3ccc(Cl)cc3)cc21 ZINC000028530743 HG Annotated Anodyne CC(C)[C@@H](C)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565957 HG Annotated Mild CC(C)[C@H](C)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565959 HG Annotated Mild CC(C)(C)CNc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028565979 HG Annotated Mild COc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000028565997 HG Annotated Bother CCC(CC)Nc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028566311 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000028566332 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2N[C@H]2C[C@H]3CC[C@@H]2C3)nc1 ZINC000028566334 HG Annotated Mild CS(=O)(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(O)cc3)c2C#N)cc1 ZINC000028567253 HG Annotated Mild O=C(O)C[C@H](Cc1nc(CCCCNc2ccccn2)no1)c1ccc2c(c1)OCO2 ZINC000028568698 HG Annotated Anodyne O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCOc1ccc([N+](=O)[O-])cn1 ZINC000028568708 HG Annotated Bother COCCOCn1cc(CCN)nc1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000028569654 HG Annotated Anodyne CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2Oc2ccccc2)nc1 ZINC000028569803 HG Annotated Mild CCC[C@@H](C)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569805 HG Annotated Mild CCC[C@H](C)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569806 HG Annotated Mild O=C(O)C[C@@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1 ZINC000028569843 HG Annotated Anodyne O=C(O)C[C@H](Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1 ZINC000028569844 HG Annotated Anodyne CC[C@@H](C)Sc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028570065 HG Annotated Mild CC[C@H](C)Sc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028570066 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2OCC2CCCC2)nc1 ZINC000028570153 HG Annotated Mild CC[C@@H](Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1)C(C)C ZINC000028570236 HG Annotated Mild CC[C@H](Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1)C(C)C ZINC000028570237 HG Annotated Mild C[C@@H]1CC[C@@H](Oc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028570462 HG Annotated Mild C[C@H]1CC[C@@H](Oc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028570463 HG Annotated Mild C[C@@H]1CC[C@H](Oc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028570464 HG Annotated Mild C[C@H]1CC[C@H](Oc2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C1 ZINC000028570465 HG Annotated Mild CCC(CC)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028570551 HG Annotated Mild C[C@@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1 ZINC000028570596 HG Annotated Anodyne C[C@](CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1 ZINC000028570597 HG Annotated Anodyne O=C(O)c1ccc(OCCCc2c(O)nc(Nc3ccc4c(c3)CCC4)[nH]c2=O)cc1 ZINC000028570608 HG Annotated Anodyne c1ccc(CNc2nccnc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 ZINC000028570665 HG Annotated Anodyne c1ccc(CNc2ncncc2-c2nnc(Nc3ccc4c(c3)OCCO4)o2)nc1 ZINC000028570848 HG Annotated Anodyne COc1ccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)cc1OC ZINC000028571081 HG Annotated Anodyne C#CCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC#C ZINC000028571210 HG Annotated Mild C#CCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC#C ZINC000028571303 HG Annotated Mild CO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccc([N+](=O)[O-])cc3)O[C@H]2[C@@H]1OC ZINC000028571680 HG Annotated Bother COC(=O)c1cc(OC(C)=O)cc2ncn(-c3ccc(OC(C)=O)cc3)c(=S)c12 ZINC000028571926 HG Annotated Anodyne Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCNC(=O)OC(C)(C)C)CC2 ZINC000028572092 HG Annotated Anodyne Cc1c(C(=O)O[C@@H](C)C(C)(C)C)cn2c1C(=O)N(CCNC(=O)OC(C)(C)C)CC2 ZINC000028572093 HG Annotated Anodyne C#CCO[C@H]1[C@H](Cc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC#C ZINC000028572690 HG Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)c1C ZINC000028631598 HG Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc(OC)c1O ZINC000028634946 HG Annotated Anodyne COc1ccc([C@H]2[C@H]3CCc4ccc(OC)cc4C3=NN2C(=O)COC(C)=O)cc1 ZINC000028636951 HG Annotated Anodyne COc1ccc2c(c1S)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028637273 HG Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@@H]1C3 ZINC000028638519 HG Annotated Mild in-vitro biogenic COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1O ZINC000028638527 HG Annotated Clean COc1ccc(CN2C=CC=C3C2=Nc2cc(OC)ccc2S(=O)(=O)N3C)cc1 ZINC000028638700 HG Annotated Anodyne COc1ccc(CN2C=CC=C3C2=Nc2cc(OC)ccc2N(C)S3(=O)=O)cc1 ZINC000028638702 HG Annotated Anodyne Cc1nc2ccc(Cl)cn2c1-c1ccn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000028640122 HG Annotated Bother CS(=O)(=O)Nc1ccc(C2=C(c3ccc(Br)cc3)C(=O)OC2)cc1 ZINC000028640206 HG Annotated Anodyne Cc1nc2ccc(Cl)cn2c1-c1ccn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000028640705 HG Annotated Bother CN(C)c1ccc(/C=C/c2cnc(OCCO)c(I)c2)cc1 ZINC000028643525 HG Annotated Clean COC(=O)c1c(C(C)C)cc(O)c2c(O)c3c(c(O)c12)C(=O)c1cccc(O)c1C3=O ZINC000028645178 HG Annotated Clean CC(=O)/C(=C\c1ccc(O)c(O)c1)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000028647748 HG Annotated Mild COc1cc(-c2nnc(S(=O)(=O)Cc3ccccc3)s2)cc(OC)c1OC ZINC000028648971 HG Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000028649012 HG Annotated Anodyne COc1cc(-c2nnc(S(=O)(=O)Cc3ccccc3Cl)o2)cc(OC)c1OC ZINC000028649050 HG Annotated Anodyne COc1c(C)cnc(COc2ccc3c(N4CCNCC4)cc(=O)oc3c2C)c1C ZINC000028651149 HG Annotated Anodyne O=C1/C(=N\NC(=S)Nc2ccccc2)c2cc(F)ccc2N1CN1CCCCC1 ZINC000028651509 HG Annotated Mild Cc1c(C(=O)c2cccc3ccccc23)n(COCc2ccccc2)c(=O)[nH]c1=O ZINC000028652482 HG Annotated Anodyne CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cc(OC)nc(OC)n3)ccc21 ZINC000028702602 HG Annotated Anodyne CCn1c2ccccc2c2cc(S(=O)(=O)Nc3nc(OC)cc(OC)n3)ccc21 ZINC000028702604 HG Annotated Anodyne CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H]([N+](=O)[O-])C(C)(C)O2 ZINC000028705807 HG Annotated Bother CN(C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@@H]([N+](=O)[O-])C(C)(C)O2 ZINC000028705810 HG Annotated Bother CS(=O)(=O)c1ccc(OCc2nnc3sc(-c4ccccc4Cl)nn23)cc1 ZINC000028709019 HG Annotated Anodyne CS(=O)(=O)c1ccc(OCc2nnc3sc(-c4cccc(Cl)c4)nn23)cc1 ZINC000028709021 HG Annotated Anodyne Cc1ccc(O)c(Cn2c(NC3CCN(CCC(=O)O)CC3)nc3c(C)cccc32)n1 ZINC000028710361 HG Annotated Anodyne Cc1cc(C)c2nc(NCCCN3CCN(C)CC3)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710373 HG Annotated Anodyne Cc1cc(C)c2nc(NCCCN3CCOCC3)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710378 HG Annotated Anodyne COc1ccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)/N=C(\O)NC(C)(C)C)cc1 ZINC000028710499 HG Annotated Mild CC(C)[C@@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711437 HG Annotated Anodyne CC(C)[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 ZINC000028711438 HG Annotated Anodyne O=C(O)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1 ZINC000028711599 HG Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ccc(CO)cn2)CC1 ZINC000028711607 HG Annotated Anodyne COc1ccnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000028711642 HG Annotated Anodyne CN(C)c1ccnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000028711647 HG Annotated Anodyne CNc1nc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)ncc1C ZINC000028711656 HG Annotated Anodyne COC(=O)c1cc(/C(=C\CCc2nnn(C)n2)c2cccc(C#N)c2)cc(C)c1OC ZINC000028711666 HG Annotated Mild COc1cc(/C=N\c2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)ccc1O ZINC000028712266 HG Annotated Mild CN(C)CCN1C(=O)c2cccc3cc(/N=C\c4cc(O)ccc4O)cc(c23)C1=O ZINC000028712267 HG Annotated Mild COc1c2occc2c(OC)c2c(=O)c(CN3CCOCC3)c(-c3cccnc3)oc12 ZINC000028712691 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712948 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000028712949 HG Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712950 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@H]1c1ccccc1 ZINC000028712951 HG Annotated Anodyne CCSc1nc2c(n1Cc1ccc(O)cc1)C(=O)N(CC)C1=N[C@@H]3CCC[C@@H]3N12 ZINC000028756220 HG Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCC(=O)O)ccc31)C(=O)c1ccccc1-2 ZINC000028757583 HG Annotated Clean CO[C@]1(c2cnc(S(=O)(=O)c3ccc(/C(C)=N/O)cc3)s2)CCO[C@@H](C)C1 ZINC000028762080 HG Annotated Mild O=c1c(Cc2ccc3c(c2)OCO3)c(C(F)(F)F)[nH]n1Cc1ccc2c(c1)OCO2 ZINC000028766454 HG Annotated Anodyne CN(C)CC(=O)N1c2ccccc2N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc21 ZINC000028766478 HG Annotated Anodyne Cc1cc2c(cc1Cl)N(C(=O)CNC(C)C)c1ccccc1N(C)S2(=O)=O ZINC000028768838 HG Annotated Anodyne Nn1c(SCC(=O)c2ccnc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000028814867 HG Annotated Anodyne COc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2N)CCCC4)cc1 ZINC000028814874 HG Annotated Anodyne CC(=O)N(Cc1ccccc1F)[C@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815953 HG Annotated Mild CC(=O)N(Cc1ccccc1F)[C@@H]1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1 ZINC000028815955 HG Annotated Mild N#CCCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)nc2ccccc21 ZINC000028820870 HG Annotated Mild O=c1n(Cc2nc3ccccc3n2CCCCO)c2cnccc2n1C1CCCC1 ZINC000028820876 HG Annotated Anodyne CC(C)(O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 ZINC000028820882 HG Annotated Anodyne O=c1n(Cc2nc3ccccc3n2CCCC2(O)CC2)c2cnccc2n1C1CC1 ZINC000028820886 HG Annotated Anodyne C[C@@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000028821117 HG Annotated Mild C[C@]12CC(C(F)(F)F)=NN1C(N)=N/C2=N\c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000028821119 HG Annotated Mild N[C@H]1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CC[C@@H]1c1cc(F)c(F)cc1F ZINC000028821164 HG Annotated Anodyne N[C@H]1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CC[C@H]1c1cc(F)c(F)cc1F ZINC000028821166 HG Annotated Anodyne CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 ZINC000028821286 HG Annotated Anodyne COCCOCCCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1 ZINC000028821779 HG Annotated Mild N[C@H]1C[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CC[C@@H]1c1cc(F)c(F)cc1F ZINC000028822664 HG Annotated Anodyne in-vivo O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(Cl)cc21 ZINC000028822688 HG Annotated Anodyne N#CCCCCn1c(CN2C(=O)CS(=O)(=O)c3ccccc32)nc2ccccc21 ZINC000028824542 HG Annotated Mild O=C1CS(=O)(=O)c2ccccc2N1Cc1nc2ccccc2n1CCCCF ZINC000028824545 HG Annotated Anodyne CNCc1cc(C#CCCN2CCNC(=O)C2)ccc1Oc1ccc(SC)cc1 ZINC000028825165 HG Annotated Mild CC(C)(C)OC(=O)C(=Cc1cnn(Cc2ccccc2)c(=O)c1)C(=O)OC(C)(C)C ZINC000028825831 HG Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(=O)CS3)s1 ZINC000028826980 HG Annotated Reactive CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@@H](C)NC)s1 ZINC000028827368 HG Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c([C@H](C)NC)s1 ZINC000028827369 HG Annotated Anodyne CCC[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)Nc1ncc(C(O)(CC)CC)s1 ZINC000028827421 HG Annotated Anodyne CCC[C@H](NC(=O)[C@H](O)c1ccccc1)C(=O)Nc1ncc(C(O)(CC)CC)s1 ZINC000028827422 HG Annotated Anodyne CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nc(C)c(C(C)=O)s1 ZINC000028827426 HG Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000028861794 HG Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)F)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000028861796 HG Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1cn([C@@H]2CCNC2)c2ncccc12 ZINC000028862192 HG Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1cn([C@H]2CCNC2)c2ncccc12 ZINC000028862193 HG Annotated Anodyne O=C(NCc1ccccc1)Nc1nc2ccccc2n2c(=O)c(-c3ccccc3)nn12 ZINC000028862603 HG Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C(=O)N(C)C)CC[C@H](c1ccccc1)O3 ZINC000028867329 HG Annotated Anodyne Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C(=O)N(C)C)CC[C@@H](c1ccccc1)O3 ZINC000028867332 HG Annotated Anodyne CC#C[C@@H](O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3 ZINC000028867342 HG Annotated Mild CC#C[C@H](O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@H](c1ccccc1)O3 ZINC000028867346 HG Annotated Mild CC#C[C@@H](O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@@H](c1ccccc1)O3 ZINC000028867349 HG Annotated Mild CC#C[C@H](O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CC[C@@H](c1ccccc1)O3 ZINC000028867353 HG Annotated Mild O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(I)cc1 ZINC000028873343 HG Annotated Reactive O=C1C(Cl)=C(Nc2ccc(I)cc2)C(=O)c2cnncc21 ZINC000028881087 HG Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)F)c(C#N)c2-c2cc(F)cc(F)c2)nc1 ZINC000028883704 HG Annotated Mild C[C@@H]1CCCN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC000028883766 HG Annotated Mild C[C@H]1CCCN(c2c(C#N)c(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)C1 ZINC000028883770 HG Annotated Mild CCc1nc(-c2sc(Br)c(Br)c2OCC(=O)O)no1 ZINC000028886987 HG Annotated Anodyne CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)NCCCNC(C)=O)cc2)c1Cl ZINC000028887804 HG Annotated Anodyne CCc1ncnc(N[C@H](C)c2ccc(OC(=O)NCCCNC(C)=O)cc2)c1Cl ZINC000028887807 HG Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc(-n4ccnc4)cc3)S2)cc1 ZINC000028888751 HG Annotated Mild Cc1ccc(S(=O)(=O)/N=C2\NC(=O)/C(=C/c3ccc(-n4cccn4)cc3)S2)cc1 ZINC000028888760 HG Annotated Mild COc1cc(Br)cc(/C(C)=N/NC(=N)N)c1OCc1ccc(C#N)cc1 ZINC000028888881 HG Annotated Mild Cn1c([C@@](C)(O)CS(=O)(=O)CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028890452 HG Annotated Anodyne Cn1c([C@](C)(O)CS(=O)(=O)CC(F)(F)F)nc2cc(Cl)c(Cl)cc21 ZINC000028890457 HG Annotated Anodyne COc1ccc(-c2nc(NC3=NC(=O)N(C)C3=O)sc2-c2ccc(OC)cc2)cc1 ZINC000028902277 HG Annotated Anodyne CN(C)CCNc1cccc2c1OC(C)(C)CN2S(=O)(=O)c1cccc(F)c1 ZINC000028948498 HG Annotated Anodyne O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ncccc1O ZINC000028948897 HG Annotated Anodyne CCN1CCc2sc3nc(SCC#N)n(-c4ccc(OC)cc4)c(=O)c3c2C1 ZINC000028948955 HG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cccnc4)n[nH]c2-3)C(=O)O1 ZINC000028949210 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccoc4)n[nH]c2-3)C(=O)O1 ZINC000028949213 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cscn4)n[nH]c2-3)C(=O)O1 ZINC000028949219 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)CCCc2c(-c4ccco4)n[nH]c2-3)C(=O)O1 ZINC000028949259 HG Annotated Anodyne O=[N+]([O-])c1ccc(/C=N\NC2=NS(=O)(=O)c3ccccc3N2c2ccccc2)o1 ZINC000028951276 HG Annotated Mild C=CCNC(=O)[C@](C)(c1ccccc1)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953252 HG Annotated Mild C=CCNC(=O)[C@@](C)(c1ccccc1)N(Cc1ccncc1)C(=O)c1cccnc1 ZINC000028953254 HG Annotated Mild C=CCNC(=O)[C@]1(N(CC=C)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953454 HG Annotated Mild C=CCNC(=O)[C@@]1(N(CC=C)C(=O)c2cccnc2)CCCc2cc(OC)ccc21 ZINC000028953456 HG Annotated Mild C=CCNC(=O)[C@]1(N(C(=O)c2cccnc2)C2CC2)CCCc2cc(OC)ccc21 ZINC000028953475 HG Annotated Mild C=CCNC(=O)[C@@]1(N(C(=O)c2cccnc2)C2CC2)CCCc2cc(OC)ccc21 ZINC000028953477 HG Annotated Mild N#Cc1ccccc1S(=O)(=O)N1CCC2=CC(=O)CC[C@@]2(Cc2ccccc2)C1 ZINC000028953629 HG Annotated Mild N#Cc1ccccc1S(=O)(=O)N1CCC2=CC(=O)CC[C@]2(Cc2ccccc2)C1 ZINC000028953631 HG Annotated Mild Cc1cc(Br)c2c(/C=C3\C(=O)NN=C3c3cnns3)cn(C)c2c1 ZINC000028955063 HG Annotated Clean C=CCN1Cc2c(n(S(=O)(=O)CC)c3ccc(C(=O)N4CCC(C)CC4)cc23)C1 ZINC000028955361 HG Annotated Mild CCOc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2cccs2)cc1 ZINC000028957557 HG Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957659 HG Annotated Anodyne N#Cc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000028957674 HG Annotated Mild O=C1NCCCC[C@H]1N(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957701 HG Annotated Anodyne N#Cc1cccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000028957704 HG Annotated Mild COc1ccccc1CN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957721 HG Annotated Anodyne O=C1NCCCC[C@H]1N(CCCC(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957787 HG Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 ZINC000028961941 HG Annotated Bother CCOC(=O)N1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)CC1 ZINC000028961946 HG Annotated Bother COC(=O)c1cn2ncnc(-c3c(O)[nH]c4cc(Br)ccc34)c2c1C ZINC000028966262 HG Annotated Anodyne CC(=O)[C@@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(CO)[C@H]3C[C@H]3OC(=O)[C@@H]1[C@]23C ZINC000028969751 HG Annotated Anodyne CC(=O)[C@@H]1[C@@H](O)C[C@H]2[C@H]3CC[C@H]4C(C)(C)CCC[C@]4(CO)[C@H]3C[C@H]3OC(=O)[C@@H]1[C@]23C ZINC000028969757 HG Annotated Anodyne O=C(Cc1ccc(O)cc1)N1CC(c2ccc(O)cc2)=C(c2ccc(O)cc2)C1=O ZINC000028969874 HG Annotated Anodyne C[C@H]1CC2(C[C@@H](C)N1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2Cc1ccccc1 ZINC000028971284 HG Annotated Bother COc1cc(-c2coc3c4c(cc(O)c3c2=O)O[C@@](C)(CO)C=C4)c(OC)cc1O ZINC000028971449 HG Annotated Anodyne N=C(NC1CC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CC4)cc3)CC2)cc1 ZINC000028972388 HG Annotated Anodyne C=CC(C)(C)c1[nH]c2ccc(C[C@@H](O)C(=C)C)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972497 HG Annotated Mild C=CC(C)(C)c1[nH]c2ccc(CC(=O)C(C)C)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000028972506 HG Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccccc2Br)s1 ZINC000028975765 HG Annotated Mild Cc1cnc(-c2[nH]c3ccc(Br)cc3c2S(=O)(=O)N2CCCC2)[nH]1 ZINC000029039009 HG Annotated Anodyne N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCC/C(O)=N/S(N)(=O)=O)c2c1 ZINC000029041445 HG Annotated Mild COC(=O)/C(=C\CC/C(=C\CCc1ccoc1)C(=O)OC)CC[C@H](O)C(C)(C)O ZINC000029042259 HG Annotated Anodyne COC(=O)/C(=C\CC/C(=C\CCc1ccoc1)C(=O)OC)CC[C@@H](O)C(C)(C)O ZINC000029042261 HG Annotated Anodyne COC(=O)/C(=C/CCc1ccoc1)CC/C=C(\CC[C@@H](O)C(C)(C)O)C(=O)OC ZINC000029042263 HG Annotated Anodyne COC(=O)/C(=C/CCc1ccoc1)CC/C=C(\CC[C@H](O)C(C)(C)O)C(=O)OC ZINC000029042286 HG Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)c1cn[nH]n1)C2=O ZINC000029053655 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000029054419 HG Annotated Anodyne Cn1c2ccccc2c2c(=O)n(CCCC(=O)O)c3c(-c4ccccc4)nnn3c21 ZINC000029054787 HG Annotated Bother N#Cc1cc(I)c2[nH]c3c(c2c1)CC(=O)Nc1cccnc1-3 ZINC000029055061 HG Annotated Mild Cc1cc(O)ccc1-c1ccc(-n2cc(NC(N)=O)c(C(N)=O)n2)cc1C(F)(F)F ZINC000029057169 HG Annotated Anodyne O=C(c1cccs1)c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 ZINC000029057488 HG Annotated Anodyne COC(=O)c1cc(NC(=O)NCCSCc2ccccc2)cc(C(=O)OC)c1 ZINC000029060412 HG Annotated Anodyne C=CCn1c(CC=C(C)C)c(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccc(OC)cc21 ZINC000029064366 HG Annotated Mild CC(C)CC(=O)c1c(O)c(C=O)c(O)c2c1O[C@@]1(CO)[C@@H](C2)C[C@H]2C[C@@H]1C2(C)C ZINC000029123100 HG Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c2c(c1O)C[C@H]1C[C@H]3C[C@H](C3(C)C)[C@@]1(CO)O2 ZINC000029123126 HG Annotated Anodyne COc1ccccc1C[S@@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000029123221 HG Annotated Anodyne COc1ccccc1C[S@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000029123222 HG Annotated Anodyne O=C(O)c1cc2c(cc1C(=O)O)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 ZINC000029123242 HG Annotated Anodyne COc1cc(-c2nnc([S@@](=O)Cc3ccc(Cl)nc3)o2)cc(OC)c1OC ZINC000029123255 HG Annotated Anodyne COc1cc(-c2nnc([S@](=O)Cc3ccc(Cl)nc3)o2)cc(OC)c1OC ZINC000029123256 HG Annotated Anodyne COc1cccc(C[S@@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 ZINC000029123289 HG Annotated Anodyne COc1cccc(C[S@](=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1 ZINC000029123290 HG Annotated Anodyne CO/N=C(\N)c1ccc(-c2ccc3nc(-c4ccc(/C(N)=N\OC)cc4)cn3c2)cc1 ZINC000029124326 HG Annotated Mild CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C#N)cc3)n2CCO)cc1 ZINC000029124581 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(SC)cc2)cc1OC ZINC000029126113 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(SC)cc2)cc1OC ZINC000029126114 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(C=C)cc2)cc1OC ZINC000029126653 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(C=C)cc2)cc1OC ZINC000029126654 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@@H](OCC#C)c2ccc(F)cc2F)cc1OC ZINC000029126701 HG Annotated Mild C#CCOc1ccc(CCNC(=O)[C@H](OCC#C)c2ccc(F)cc2F)cc1OC ZINC000029126702 HG Annotated Mild COCC/N=c1/n(C)c2ccccc2n1CC(=O)c1ccc(Br)cc1 ZINC000029127676 HG Annotated Anodyne COc1cc(-n2c(-c3ccc(F)cc3F)cn(C(C)=O)c2=O)cc(OC)c1OC ZINC000029131546 HG Annotated Anodyne O=c1oc2c(Br)c(O)c(Br)cc2c(O)c1Br ZINC000029131678 HG Annotated Anodyne COCCOc1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132286 HG Annotated Anodyne CC[S@@](=O)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132378 HG Annotated Anodyne CC[S@](=O)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000029132380 HG Annotated Anodyne C[C@@H]1CC(=O)c2c(c3c(c4c(CN5CCN(C)CC5)cc(=O)oc24)OC(C)(C)C=C3)O1 ZINC000029132876 HG Annotated Anodyne C[C@H]1CC(=O)c2c(c3c(c4c(CN5CCN(C)CC5)cc(=O)oc24)OC(C)(C)C=C3)O1 ZINC000029132877 HG Annotated Anodyne NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3ccccc3n12 ZINC000029133077 HG Annotated Mild COC(=O)[C@]1(c2cccc(OCCc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO ZINC000029135240 HG Annotated Bother O=C1c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(Br)cc21 ZINC000029206795 HG Annotated Anodyne CN1C(=O)S[C@@H](S(=O)(=O)c2cccc3c(Br)cccc23)C1=O ZINC000029214353 HG Annotated Anodyne CN1C(=O)S[C@H](S(=O)(=O)c2cccc3c(Br)cccc23)C1=O ZINC000029214359 HG Annotated Anodyne CN1C(=O)S[C@@](C)(S(=O)(=O)c2cccc3c(Br)cccc23)C1=O ZINC000029214538 HG Annotated Anodyne CN1C(=O)S[C@](C)(S(=O)(=O)c2cccc3c(Br)cccc23)C1=O ZINC000029214543 HG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4cc(Cl)ccc4s3)[C@H](C)[C@H]12 ZINC000029216682 HG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc(Cl)cc4s3)[C@H](C)[C@H]12 ZINC000029220430 HG Annotated Anodyne CCCCS(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21 ZINC000029221191 HG Annotated Anodyne CCCCS(=O)(=O)NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21 ZINC000029221196 HG Annotated Anodyne C[C@]1(C#CCCCCc2ccccc2)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029230607 HG Annotated Reactive Cn1ccnc1NC(=O)c1c(C(F)(F)F)nc2c(C(F)(F)F)cccc2c1O ZINC000029233931 HG Annotated Anodyne O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCCC[C@H]1O ZINC000029254624 HG Annotated Anodyne O=S1(=O)N=C(NCCCOc2cccc(CN3CC=CCC3)c2)c2cscc21 ZINC000029309397 HG Annotated Anodyne CCN(CC)CCn1nc2c3ccc(O)cc3sc3c(NC(=O)CN)ccc1c32 ZINC000029323079 HG Annotated Bother COc1cc2c(cc1OC)[C@@](O)(c1ccc3ccccc3c1)[C@H]1C(=O)OC[C@H]1C2=O ZINC000029327549 HG Annotated Anodyne CC(=O)OCCN(CCn1nc2c3ccccc3sc3c(N)ccc1c32)C(C)=O ZINC000029330141 HG Annotated Bother CCOC(=O)[C@@H]1Cc2cc(C(=O)c3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000029339320 HG Annotated Clean CCOC(=O)[C@H]1Cc2cc(C(=O)c3ccc(O)c(CN)c3)c(Cl)c(Cl)c2O1 ZINC000029339323 HG Annotated Clean OCCN1CCN(C2=Nc3cc(Br)ccc3Oc3cscc32)CC1 ZINC000029344964 HG Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CNO)c2)c(Cl)c1Cl ZINC000029346072 HG Annotated Clean COc1cc(O)c2c(c1)C(=O)c1cc(CN(CCCl)CCCl)cc(O)c1C2=O ZINC000029346102 HG Annotated Reactive CN(C)CCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O ZINC000029388380 HG Annotated Bother O=c1[nH]c2cc(I)ccc2n1Cc1cc(Cl)ccc1O ZINC000029389849 HG Annotated Clean O=C(NC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029390021 HG Annotated Bother O=C(NC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029390024 HG Annotated Bother CN(C)CCNc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O ZINC000029391036 HG Annotated Bother COc1cc(CN(CCCl)CCCl)cc2c1C(=O)c1c(O)cccc1C2=O ZINC000029391092 HG Annotated Reactive O=C(NC(=O)c1c(F)cccc1F)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029391276 HG Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029391279 HG Annotated Anodyne O=C1C(N2CC2)=CC(=O)c2c(OS(=O)(=O)c3cccc4ccccc34)cccc21 ZINC000029392169 HG Annotated Mild O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OC(=O)C34CC5CC(CC(C5)C3)C4)cccc21 ZINC000029392339 HG Annotated Mild O=C(NC(=O)c1cc(F)cc(F)c1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029392603 HG Annotated Anodyne O=C(NC(=O)c1cc(F)cc(F)c1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029392606 HG Annotated Anodyne CCCC(=O)OCc1c2c(n3c1[C@@H](OC(=O)CCC)CC3)C(=O)C(C)=C(OC)C2=O ZINC000029393332 HG Annotated Mild CCCC(=O)OCc1c2c(n3c1[C@H](OC(=O)CCC)CC3)C(=O)C(C)=C(OC)C2=O ZINC000029393335 HG Annotated Mild O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029394997 HG Annotated Bother O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029395000 HG Annotated Bother O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000029398473 HG Annotated Bother O=C(NC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000029398476 HG Annotated Bother C[C@H]1CN(c2c(F)c(Cl)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000029400250 HG Annotated Anodyne COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)cc1 ZINC000029405655 HG Annotated Anodyne CCOC(=O)/C=C/c1cc(CSc2nnc(-c3ccccn3)o2)cc(C(N)=O)c1 ZINC000029406434 HG Annotated Anodyne COc1ccc(N2C[C@@H](CN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)cc1 ZINC000029406960 HG Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2[S@](=O)C[C@@H]4C)cc(C)n1 ZINC000029410193 HG Annotated Anodyne Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2[S@@](=O)C[C@@H]4C)cc(C)n1 ZINC000029410197 HG Annotated Anodyne CCN(CC)c1nc(NC[C@@H](O)c2cccc(O)c2)nc2cc(OC)c(OC)cc12 ZINC000029412848 HG Annotated Anodyne CCN(CC)c1nc(NC[C@H](O)c2cccc(O)c2)nc2cc(OC)c(OC)cc12 ZINC000029412851 HG Annotated Anodyne NS(=O)(=O)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O ZINC000029470556 HG Annotated Anodyne COCC(=O)O/C(=C1\C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029478020 HG Annotated Anodyne Nc1cc(S(=O)(=O)c2ccccc2Br)c([N+](=O)[O-])c2cccnc12 ZINC000029480756 HG Annotated Bother CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCC)CCC)c([N+](=O)[O-])c1 ZINC000029487433 HG Annotated Bother COc1cc2c(c(OC(C)=O)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029551871 HG Annotated Anodyne CC1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@H]3C/C(=C\COCC(=O)O)C[C@@H]23)Cc2ccccc2C1 ZINC000029571697 HG Annotated Anodyne CC1([C@H](O)/C=C/[C@@H]2[C@H]3C/C(=C/COCC(=O)O)C[C@@H]3C[C@H]2O)Cc2ccccc2C1 ZINC000029571699 HG Annotated Anodyne CC1([C@H](O)/C=C/[C@H]2[C@H](O)C[C@@H]3C/C(=C\COCC(=O)O)C[C@H]32)Cc2ccccc2C1 ZINC000029571702 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(CCC[C@H](O)c3ccc(F)cc3)[C@@H](C)C2)cc1 ZINC000299804991 HG Annotated Anodyne Cc1cc(NN=C2CC[C@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000299806570 HG Annotated Mild Cc1cc(NN=C2CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000299806571 HG Annotated Mild CC(=O)[C@@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000299806927 HG Annotated Anodyne O=C(O)COc1cccc(C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000299808224 HG Annotated Reactive O=C(O)COc1cccc(C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000299808226 HG Annotated Reactive CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]12 ZINC000299811025 HG Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]12 ZINC000299811026 HG Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@H]21 ZINC000299811027 HG Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(NC(=S)Nc3ccc(F)cc3)C(=O)[C@@H]21 ZINC000299811028 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](OCC1CC1)C2 ZINC000299811067 HG Annotated Anodyne O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000299811133 HG Annotated Bother O=S(=O)(c1ccc(Cl)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1csnn1)C2 ZINC000299811693 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000299812920 HG Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@H](C#Cc2ccc(F)cc2F)C=C[C@H]1OC(=O)OCC ZINC000299813372 HG Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@@H](O)COCc1ccco1 ZINC000299813491 HG Annotated Mild CC(CCN1CCCc2nc(C)c(C)cc21)=NOC[C@H](O)COCc1ccco1 ZINC000299813492 HG Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@H](C)O1 ZINC000299814552 HG Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H](C)O1 ZINC000299814553 HG Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000299814554 HG Annotated Mild Cc1cnc2ncc(C(=O)N[C@H]3C(C)(C)[C@H](Oc4ccc(C#N)c(C)n4)C3(C)C)n2c1 ZINC000299815047 HG Annotated Mild CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(C#N)c1 ZINC000299815353 HG Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3c(C)nc4cnccn34)C2(C)C)ccc1C#N ZINC000299816048 HG Annotated Mild Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncc(F)cn34)C2(C)C)ccc1C#N ZINC000299816076 HG Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2c(nn(-c3ccccc3)c2O)C[C@]1(C)O ZINC000299816197 HG Annotated Anodyne O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 ZINC000299816503 HG Annotated Reactive C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OCC1CCCCC1 ZINC000299819611 HG Annotated Anodyne COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(N)c2)c1 ZINC000299819910 HG Annotated Anodyne CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(C#N)cc12 ZINC000299820023 HG Annotated Mild CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2cccc(C#N)c12 ZINC000299820097 HG Annotated Mild CC(=O)Nc1ccc(/N=C2\c3ccccc3CN2c2ccc(NC(C)=O)nc2)cn1 ZINC000299820732 HG Annotated Mild CN1C(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)C(=O)N(C)C1=O ZINC000299821203 HG Annotated Mild CN1C(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)C(=O)N(C)C1=O ZINC000299821204 HG Annotated Mild N#Cc1cccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 ZINC000299821264 HG Annotated Mild N#Cc1cccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 ZINC000299821265 HG Annotated Mild Cc1ccc(S(=O)(=O)n2cnc3c(NCc4ccc(F)cc4F)ncnc32)cc1 ZINC000299821616 HG Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Cl)c1 ZINC000299821868 HG Annotated Anodyne COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Cl)c1 ZINC000299821870 HG Annotated Anodyne COC(=O)[C@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@@H]1c1ccccc1 ZINC000299822002 HG Annotated Anodyne COC(=O)[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@@H]1c1ccccc1 ZINC000299822384 HG Annotated Anodyne COC(=O)[C@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@H]1c1ccccc1 ZINC000299822389 HG Annotated Anodyne COC(=O)[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)CC(=O)O[C@H]1c1ccccc1 ZINC000299822393 HG Annotated Anodyne CCN(CC)C(=O)COc1ccc(CC(=O)O[C@H](C)C(F)(F)F)c(F)c1OC ZINC000299822446 HG Annotated Anodyne CCN(CC)C(=O)COc1ccc(CC(=O)O[C@@H](C)C(F)(F)F)c(F)c1OC ZINC000299822449 HG Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@@H](C)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299823880 HG Annotated Anodyne COc1cc(Nc2nc3n(n2)[C@H](C)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 ZINC000299823883 HG Annotated Anodyne O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCC[C@@H]3CCO)sc21 ZINC000299823885 HG Annotated Clean O=C1c2c(O)cccc2C(=O)c2c1c(O)cc1nc(N3CCCC[C@H]3CCO)sc21 ZINC000299823890 HG Annotated Clean COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Br)c1 ZINC000299824279 HG Annotated Anodyne COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cccc(Br)c1 ZINC000299824284 HG Annotated Anodyne COC(=O)[C@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)c3cc4occc4c(C)c3C[C@@H](O)[C@H]21 ZINC000299824966 HG Annotated Anodyne C[S@@](=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 ZINC000299824967 HG Annotated Anodyne C[S@](=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)cc4)n3n2)c1 ZINC000299824968 HG Annotated Anodyne C[C@@H]1Cn2ncc(-c3ccc(S(C)(=O)=O)cc3)c2CN1c1ccnc2[nH]ccc12 ZINC000299824995 HG Annotated Anodyne N#Cc1ccc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(F)cc54)CC3)nc2c1 ZINC000299825253 HG Annotated Mild CCN(CC)C(=O)COc1cc(F)c(CC(=O)O[C@H](C)C(F)(F)F)cc1OC ZINC000299826307 HG Annotated Anodyne CCN(CC)C(=O)COc1cc(F)c(CC(=O)O[C@@H](C)C(F)(F)F)cc1OC ZINC000299826309 HG Annotated Anodyne COc1ccc(-c2oc(C3CC3)nc2C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000299826467 HG Annotated Anodyne C=CCn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2cccc(OC)c2)nn1 ZINC000299828272 HG Annotated Mild CCN1CCN(c2c(C(=O)N(CC)CC)c3nnc(C(C)C)n3c3ncccc23)CC1 ZINC000299828383 HG Annotated Anodyne Cc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(I)cc43)c2c1 ZINC000299830036 HG Annotated Anodyne Cc1ccc2[nH]cc([C@@]3(O)C(=O)Nc4ccc(I)cc43)c2c1 ZINC000299830039 HG Annotated Anodyne COc1cc(NCc2ccc3cnc4[nH]c(=O)n(Cc5ccccc5)c4c3n2)ccn1 ZINC000299830279 HG Annotated Anodyne CC(=O)NC[C@@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C ZINC000299830437 HG Annotated Anodyne CC(=O)NC[C@]1(c2ccccc2)SC(NC(=O)C(C)(C)C)=NN1C(=O)C(C)(C)C ZINC000299830442 HG Annotated Anodyne Cc1nn(-c2ccccc2)c(SCCO)c1/C=N/Nc1nc2ccccc2nc1O ZINC000299831905 HG Annotated Mild CC(C)N1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299832120 HG Annotated Clean CCOc1cc(CC(=O)OCC(F)(F)F)cc(F)c1OCC(=O)N(CC)CC ZINC000299832689 HG Annotated Anodyne CN(C)C1CCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299833086 HG Annotated Clean S=C(Nc1ccc(Br)cc1)Nn1c(S)nnc1-c1ccncc1 ZINC000299833837 HG Annotated Anodyne CC(=O)OC[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@](CO)(C(=O)O)C3 ZINC000299833914 HG Annotated Anodyne CCc1nc(Nc2ccc(NS(N)(=O)=O)cc2)nc(-c2cccc(Cl)c2)n1 ZINC000299833949 HG Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)NCCc1ccccn1)=C\CC[C@@]1(C)O[C@@H]21 ZINC000299834179 HG Annotated Mild [O-][n+]1onc2ccc(COc3ccccc3/C=N\NC(=S)Nc3ccccc3)cc21 ZINC000299834211 HG Annotated Mild COc1cc(/C=C2\CSC/C(=C\c3cnc(OC)c(OC)c3)C2=O)cnc1OC ZINC000299834697 HG Annotated Mild COc1ccc(-c2oc(C3(C)CC3)nc2C)cc1S(=O)(=O)N[C@@H]1CC[C@@H](O)CC1 ZINC000299835020 HG Annotated Anodyne O=C(NCCN1CCC(O)(Cc2ccccc2)CC1)Nc1ccnc2sccc12 ZINC000299835039 HG Annotated Anodyne O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)C[C@H]1CO ZINC000299835435 HG Annotated Anodyne O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCN(c2ncccn2)C[C@@H]1CO ZINC000299835436 HG Annotated Anodyne COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(Cc4ccccc4)C[C@@H]23)cc1 ZINC000299835623 HG Annotated Reactive C[C@@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)[C@H](O)C5 ZINC000299836034 HG Annotated Bother C[C@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)[C@@H](O)C5 ZINC000299836035 HG Annotated Bother C[C@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)[C@H](O)C5 ZINC000299836037 HG Annotated Bother C[C@@H]1Oc2cc3oc4c5c(c(O)cc4c(=O)c3c(O)c2C1(C)C)OC(C)(C)[C@@H](O)C5 ZINC000299836038 HG Annotated Bother COc1ccccc1[C@H](CC(=O)O)NC(=O)CCCCc1ccc2c(n1)NCCC2 ZINC000299837315 HG Annotated Anodyne COc1ccccc1[C@@H](CC(=O)O)NC(=O)CCCCc1ccc2c(n1)NCCC2 ZINC000299837319 HG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1cc(OC)c(OC)c(OC)c1 ZINC000299837403 HG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1cc(OC)c(OC)c(OC)c1 ZINC000299837405 HG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1cc(OC)c(OC)c(OC)c1 ZINC000299837409 HG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1cc(OC)c(OC)c(OC)c1 ZINC000299837412 HG Annotated Anodyne COc1cc(O)c(C(=O)OC[C@H](C)c2ccccc2)c(/C=C/CN2C(=O)C=CC2=O)c1 ZINC000299837458 HG Annotated Anodyne COc1cc(O)c(C(=O)OC[C@@H](C)c2ccccc2)c(/C=C/CN2C(=O)C=CC2=O)c1 ZINC000299837459 HG Annotated Anodyne CCCN1CC[C@@]2(OC)OC(N)=C(C#N)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000299837490 HG Annotated Reactive N#Cc1ccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299837666 HG Annotated Mild N#Cc1ccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299837667 HG Annotated Mild CC(C)n1c(=O)c2c3c(cnc2n(C(C)C)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299837743 HG Annotated Mild O=C(Nc1ccc2nc(O)c(Nc3cccc(-c4nnn[nH]4)c3)cc2c1)N1CCCC1 ZINC000299837765 HG Annotated Anodyne CCCCn1c(=O)c2c3c(cnc2n(CCCC)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299838212 HG Annotated Mild CCOc1cc(CC(=O)OCC(F)(F)F)c(F)cc1OCC(=O)N(CC)CC ZINC000299838343 HG Annotated Anodyne COc1ccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299838914 HG Annotated Anodyne COc1ccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)cc1 ZINC000299838917 HG Annotated Anodyne C=C(C)CNC(=N)NCCCCCCN1CCCCCCCCNC(=N)NC1=O ZINC000299839649 HG Annotated Mild COc1cccc([C@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 ZINC000299840120 HG Annotated Anodyne COc1cccc([C@@H](CC(=O)O)NC(=O)CCCCc2ccc3c(n2)NCCC3)c1 ZINC000299840121 HG Annotated Anodyne CC(=O)N1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2CC2)C1 ZINC000299840369 HG Annotated Anodyne COC(=O)C(CC1=C(c2ccc(Cl)cc2)CC(C)(C)ON1C(C)=O)C(=O)OC ZINC000299840492 HG Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccc(NC(C)=O)c1 ZINC000299840493 HG Annotated Anodyne C[S@@](=O)c1ccc(-c2cnc3ccc(-c4cccc(S(C)(=O)=O)c4)nn23)cc1 ZINC000299840837 HG Annotated Anodyne C[S@](=O)c1ccc(-c2cnc3ccc(-c4cccc(S(C)(=O)=O)c4)nn23)cc1 ZINC000299840838 HG Annotated Anodyne O=C(c1cccc(-c2nnn3ccccc23)n1)c1cccc(-c2nnn3ccccc23)n1 ZINC000299840849 HG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840954 HG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840955 HG Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840956 HG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000299840957 HG Annotated Anodyne CCOc1c(OCC(=O)N(CC)CC)ccc(CC(=O)OCC(F)(F)F)c1F ZINC000299841122 HG Annotated Anodyne CCN(CC)C(=O)COc1c(F)cc(CC(=O)O[C@H](C)C(F)(F)F)cc1OC ZINC000299841173 HG Annotated Anodyne CCN(CC)C(=O)COc1c(F)cc(CC(=O)O[C@@H](C)C(F)(F)F)cc1OC ZINC000299841174 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C\[C@]2(C)O[C@H](C)[C@@](C)(O)[C@H]2O)c1C ZINC000299844344 HG Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C\[C@]2(C)O[C@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000299844345 HG Annotated Anodyne COc1cc2c(cc1OC)C[N@+](C)(CCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844630 HG Annotated Bother COc1cc2c(cc1OC)C[N@@+](C)(CCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844631 HG Annotated Bother COc1cc(/C=C/c2cc(N3CCN(C)CC3)c3ccccc3[n+]2C)cc(OC)c1O ZINC000299844676 HG Annotated Anodyne COc1cc(/C=C/c2cc(N3CCOCC3)c3ccccc3[n+]2C)cc(OC)c1O ZINC000299844747 HG Annotated Anodyne O=C(OCCF)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCF)[C@H]1c1ccc(O)cc1 ZINC000299845271 HG Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2[C@@]32NNC(=S)N2)cc1 ZINC000299846079 HG Annotated Anodyne COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000299846080 HG Annotated Anodyne Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2[C@@]32NNC(=S)N2)cc1 ZINC000299846417 HG Annotated Anodyne Fc1ccc([C@H]2N[C@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C32NNC(=S)N2)cc1 ZINC000299846418 HG Annotated Anodyne CCOC[C@@H]1COc2cc([C@@H](O)[C@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 ZINC000299847858 HG Annotated Anodyne CCOC[C@@H]1COc2cc([C@H](O)[C@H]3CCCN(Cc4ccccc4)C3=O)ccc2O1 ZINC000299847859 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C(=O)NC3(C2=O)c2ccccc2-c2ccccc23)cc1 ZINC000299850103 HG Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000299850104 HG Annotated Mild O=C(c1nc2sc3c(n2c1Cl)CCCC3)N1CCN(C2CCCC2)C(=O)C1 ZINC000299850115 HG Annotated Anodyne O=c1n(Cc2nc3ccc(Cl)cn3c2CCCCO)c2cnccc2n1C1CC1 ZINC000299850604 HG Annotated Anodyne C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]1OC(C)=O)C(=O)[C@H]3C)C2(C)C ZINC000299851396 HG Annotated Mild C=C([C@@H](O)/C=C/[C@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851438 HG Annotated Mild C=C([C@H](O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851439 HG Annotated Mild C=C([C@@H](O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851440 HG Annotated Mild C=C([C@H](O)/C=C/[C@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851441 HG Annotated Mild C[C@@H]1CCc2c(sc3nc(C(=O)N4CCN(C5CCCC5)C(=O)C4)c(Cl)n23)C1 ZINC000299851638 HG Annotated Anodyne C[C@H]1CCc2c(sc3nc(C(=O)N4CCN(C5CCCC5)C(=O)C4)c(Cl)n23)C1 ZINC000299851639 HG Annotated Anodyne CC(C)Cc1csc2nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 ZINC000299851667 HG Annotated Anodyne O=C(c1nc2sc3ccccc3n2c1Cl)N1CCN(C2CC=CC2)C(=O)C1 ZINC000299851693 HG Annotated Anodyne CC(C)COc1nc(C(=O)Nc2ccc(C(=O)O)nc2OCC(C)C)ccc1N ZINC000299851697 HG Annotated Anodyne C=C(C(=O)/C=C/[C@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851729 HG Annotated Mild C=C(C(=O)/C=C/[C@@](C)(O)COC(C)=O)[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299851730 HG Annotated Mild CCc1ccn2c(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)nc2c1 ZINC000299852066 HG Annotated Anodyne C=C([C@H](/C=C/[C@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852333 HG Annotated Mild C=C([C@@H](/C=C/[C@@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852334 HG Annotated Mild C=C([C@H](/C=C/[C@@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852335 HG Annotated Mild C=C([C@@H](/C=C/[C@](C)(O)COC(C)=O)OC(C)=O)[C@@H]1C[C@@H](O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000299852336 HG Annotated Mild 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)C(C)C)C2(C)C ZINC000299852488 HG Annotated Mild Cc1ccc(S(=O)(=O)N2C(=O)NC(=O)C23c2ccccc2-c2ccccc23)cc1 ZINC000299852671 HG Annotated Anodyne O=C(c1nc2sc3ccccc3n2c1Cl)N1CCN(C2CCCC2)C(=O)C1 ZINC000299852898 HG Annotated Anodyne NC1=N[C@@](c2cccc([C@@H](O)CO)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299853054 HG Annotated Anodyne NC1=N[C@@](c2cccc([C@H](O)CO)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299853055 HG Annotated Anodyne NC1=N[C@](c2cccc([C@@H](O)CO)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299853056 HG Annotated Anodyne NC1=N[C@](c2cccc([C@H](O)CO)c2)(c2ccnc(C(F)F)c2)c2cccc(F)c21 ZINC000299853057 HG Annotated Anodyne Cc1cc(CN2C(=O)/C(=C/C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)on1 ZINC000299855567 HG Annotated Bother O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1 ZINC000299857080 HG Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1 ZINC000299857081 HG Annotated Anodyne O=C(/C=C/C=C/c1ccc2c(c1)OCO2)OCc1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000299857643 HG Annotated Bother Cc1ccc(S(=O)(=O)n2cc(/C=N/N=C/N(C)C)c3c([N+](=O)[O-])cccc32)cc1 ZINC000299859115 HG Annotated Mild Cc1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4ccsc4n3)c(=O)c2c1 ZINC000299859924 HG Annotated Mild Cc1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1 ZINC000299860027 HG Annotated Anodyne Cc1ccc2occ(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c(=O)c2c1 ZINC000299860714 HG Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5(C#N)CC5)nc4)cc3SC[C@@H]12 ZINC000299862419 HG Annotated Mild O=C1COCCN1c1ccc(-n2cnc3onc(-c4ccc(Cl)cc4)c3c2=O)cc1 ZINC000299862730 HG Annotated Anodyne CCc1nnc([C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C ZINC000299863661 HG Annotated Anodyne CCc1nnc([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n1C ZINC000299863663 HG Annotated Anodyne Cc1ccc(-c2noc3nc(C)n(-c4ccc(N5CCOCC5=O)cc4)c(=O)c23)cc1 ZINC000299863929 HG Annotated Anodyne O=C(O)Cn1c(=O)c(-c2ccc(O)cc2O)nc2ccc(Cc3ccc(F)cc3)cc21 ZINC000299864368 HG 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)c2cccnc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1O ZINC000299864558 HG Annotated Mild CCn1c(NC(C)C)nc2c([C@H]3CCN(C(=O)c4ccccn4)C3)csc2c1=O ZINC000299865162 HG Annotated Anodyne CCn1c(NC(C)C)nc2c([C@@H]3CCN(C(=O)c4ccccn4)C3)csc2c1=O ZINC000299865342 HG Annotated Anodyne Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000299865485 HG Annotated Clean Cc1cc(O)c(C2=NN(S(N)(=O)=O)[C@@H](c3ccc(N(C)C)cc3)C2)c(C)c1Cl ZINC000299865486 HG Annotated Clean COc1cc2nc(/C=C/c3cccc(O)c3)n(CCCN(C)C)c(=O)c2cc1OC ZINC000299865964 HG Annotated Anodyne COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@@H]2O)cc1[N+](=O)[O-] ZINC000299867424 HG Annotated Bother COc1ccc(/C=C2\c3cc(OC)c(OC)c(OC)c3CC[C@H]2O)cc1[N+](=O)[O-] ZINC000299867426 HG Annotated Bother COc1ccc2c(c1)/C(=N/n1c(-c3cccs3)nc3ccccc3c1=O)C(=O)N2 ZINC000299868177 HG Annotated Mild Cc1cn(-c2ccc3n(c2=O)CCN(Cc2[nH]c4ccccc4c2Cl)C3=O)cn1 ZINC000299868788 HG Annotated Anodyne O=c1c(/C=N/Nc2nc(N3CCOCC3)c3ccsc3n2)coc2ccccc12 ZINC000299868879 HG Annotated Mild O=C(Cc1ccc(F)cc1)N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1 ZINC000299868969 HG Annotated Anodyne COc1ccc(-c2ccc3c(c2)SC[C@H]2[C@H](CNC(C)=S)OC(=O)N32)cn1 ZINC000299869044 HG Annotated Anodyne O=C1OCC2=C1[C@]1(C(=O)Nc3ccc(Cl)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299869339 HG Annotated Anodyne O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc(Cl)cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299869340 HG Annotated Anodyne O=C1C[C@@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)nc3)c2N1 ZINC000299870607 HG Annotated Anodyne O=C1C[C@]2(C(=O)Nc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)nc3)c2N1 ZINC000299870608 HG Annotated Anodyne O=C(O)CC/C(C(=O)/C=C/c1ccc(O)c(O)c1)=C(O)\C=C\c1ccc(O)c(O)c1 ZINC000299870930 HG Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299874108 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875645 HG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299875646 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000299876257 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299876258 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000299876259 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000299876260 HG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000299876305 HG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000299876306 HG Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)C[C@@H]3OC(C)(C)O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000299876312 HG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)C[C@@H]3OC(C)(C)O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000299876313 HG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)C[C@@H]3OC(C)(C)O[C@]3(C)C[C@@H](OC(=O)/C(C)=C/C)[C@H]12 ZINC000299876314 HG Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)C[C@@H]3OC(C)(C)O[C@]3(C)C[C@H](OC(=O)/C(C)=C/C)[C@H]12 ZINC000299876315 HG Annotated Mild CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299876474 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299876475 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000299876498 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000299876499 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000299876500 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000299876548 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000299876549 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000299876550 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299876775 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299876776 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299876962 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299876963 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299876964 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299877374 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299877375 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)o1 ZINC000299877376 HG Annotated Anodyne COCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)o1 ZINC000299877377 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299877607 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299877608 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299877609 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299877610 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000299878551 HG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000299878552 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299878983 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC ZINC000299878984 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000299879290 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000299879291 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000299879292 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000299879293 HG Annotated Anodyne COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@@H]32)cc1OC ZINC000299879541 HG Annotated Anodyne COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@@H]32)cc1OC ZINC000299879542 HG Annotated Anodyne COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@@H]32)cc1OC ZINC000299879543 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000299880299 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1cn(C)c2ccccc12 ZINC000299881294 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1cn(C)c2ccccc12 ZINC000299881295 HG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881855 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299881856 HG Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@@H]2[C@H](CN4CCN(c5ccccc5)CC4)C(=O)O[C@H]2[C@@H]13 ZINC000299881967 HG Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCN(c4ccccc4)CC2)[C@@H]13 ZINC000299881968 HG Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@@H]2[C@H](CN4CCN(c5ccccc5)CC4)C(=O)O[C@H]2[C@H]13 ZINC000299881969 HG Annotated Anodyne CC1=CC[C@]23O[C@]2(C)CC[C@H]2[C@H](OC(=O)[C@H]2CN2CCN(c4ccccc4)CC2)[C@H]13 ZINC000299881970 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299882929 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299882930 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299883194 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)C1 ZINC000299883195 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883305 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000299883306 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000299883859 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000299883860 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000299883861 HG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299883912 HG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)c(OC)c1 ZINC000299883913 HG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000299883914 HG Annotated Anodyne Cc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 ZINC000299884038 HG Annotated Anodyne Cc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 ZINC000299884039 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)C1 ZINC000299884052 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)C1 ZINC000299884053 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299884475 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299884476 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299884477 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884480 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H]1CCCCNC1=O ZINC000299884481 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000299884549 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000299884550 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000299884551 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000299884552 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299884608 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299884609 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299884610 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299884611 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000299886085 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000299886894 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000299886895 HG Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000299886896 HG Annotated Anodyne O=C1CCCN2N=C(SCC(=O)Nc3ccccc3C(F)(F)F)SC2=N1 ZINC000003009756 HG Annotated Anodyne O=C(NCc1ccccc1Cl)c1cc(=O)nc2sc(-c3cccs3)nn12 ZINC000003030602 HG Annotated Anodyne O=C(NCc1ccc(C(=O)NC[C@H]2CCCO2)cc1)c1cccc(Br)c1 ZINC000003032339 HG Annotated Anodyne O=C(NCc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)c1cccc(Br)c1 ZINC000003032341 HG Annotated Anodyne CN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21 ZINC000003039923 HG Annotated Anodyne Cc1c(C(=O)N(C)CCC#N)oc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000003047713 HG Annotated Mild Cc1c(C(=O)N(C)CCC#N)oc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000003047714 HG Annotated Mild O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 ZINC000003056395 HG Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2/C=N/n2cnnc2)cc1 ZINC000003190117 HG Annotated Mild NC(=O)/C(=N\OC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1 ZINC000003191993 HG Annotated Mild COCCN(CCOC)c1ncc(Cl)c(C(=O)c2c(C)cc3ccccn23)n1 ZINC000003210633 HG Annotated Anodyne O=C1CSC(=S)N1/N=C/c1cc(Br)c(O)c(Br)c1 ZINC000003229310 HG Annotated Mild O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccc(O)cc1 ZINC000003243444 HG Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2oc(S[C@H]3CCOC3=O)nc2c1 ZINC000003263425 HG Annotated Anodyne aggregator O=C(N/N=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1ccccc1O ZINC000003276128 HG Annotated Reactive Cc1c(/N=C(\O)[C@@H](C)Oc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000003288379 HG Annotated Mild Cc1c(/N=C(\O)[C@H](C)Oc2ncnc3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000003288382 HG Annotated Mild CCN(CC)CCCNc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 ZINC000003381769 HG Annotated Anodyne CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)c2ccc(Br)o2)cc1 ZINC000003413898 HG Annotated Anodyne CCCN(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003414181 HG Annotated Anodyne C[C@@H](c1nnc(Sc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C ZINC000003440121 HG Annotated Anodyne C[C@H](c1nnc(Sc2nnnn2-c2ccccc2)n1-c1ccc(F)cc1)N(C)C ZINC000003440125 HG Annotated Anodyne CN(C)C(=O)[C@@H]1CC[C@](NC(=O)OCc2ccccc2)(C(C)(C)C)[C@H](NC(=O)O)C1 ZINC000301054625 HG Annotated Anodyne CN(C)C(=O)[C@@H]1CC[C@@](NC(=O)OCc2ccccc2)(C(C)(C)C)[C@H](NC(=O)O)C1 ZINC000301054626 HG Annotated Anodyne CC1=C[C@@H]2O[C@H]3C[C@H](OC(=O)/C=C/C=C/C=C\C(=O)O)[C@@](C)([C@]2(C)CC1)[C@]31CO1 ZINC000306146341 HG Annotated Anodyne CC1=C[C@@H]2O[C@H]3C[C@H](OC(=O)/C=C/C=C/C=C\C(=O)O)[C@@](C)([C@]2(C)CC1)[C@@]31CO1 ZINC000306146342 HG Annotated Anodyne CC(=O)OCC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]12C ZINC000306147116 HG Annotated Mild CC(=O)OCC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C ZINC000306147117 HG Annotated Mild CC(=O)OCC(=O)[C@@H]1[C@@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]12C ZINC000306147118 HG Annotated Mild CC(=O)OCC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]21C ZINC000306147119 HG Annotated Mild C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1C2=C(O)C(=O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000031476693 HG Annotated Anodyne C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 ZINC000031622148 HG Annotated Anodyne C[C@H](S[C@H](C)C(=O)N/N=C\c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1 ZINC000031637685 HG Annotated Reactive C[C@H](S[C@H](C)C(=O)N/N=C\c1ccc(F)cc1)C(=O)N/N=C/c1ccc(F)cc1 ZINC000031637689 HG Annotated Reactive C[C@H](S[C@H](C)C(=O)N/N=C/c1ccc(F)cc1)C(=O)N/N=C\c1ccc(F)cc1 ZINC000031637693 HG Annotated Reactive O=C1/C(=C/c2ccccc2)CN(C(=O)CCN2CCOCC2)C/C1=C\c1ccccc1 ZINC000031830039 HG Annotated Mild CCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1N1CCOCC1)O[C@@H]1CCCO1 ZINC000031842052 HG Annotated Anodyne O=C(O)CN1C=C(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)CCC1 ZINC000031895891 HG Annotated Mild C[n+]1c2ccccc2n2c3ccccc3c(NCCCN3CCOCC3)c(C#N)c21 ZINC000031896847 HG Annotated Mild CC(=O)O[C@@H]1C[C@H]2c3cccc4c3[C@H](C[C@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000031904823 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2c3cccc4c3[C@H](C[C@@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000031904824 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2c3cccc4c3[C@@H](C[C@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000031904825 HG Annotated Anodyne O=C1c2cc(I)ccc2N2CCN=C2N1Cc1ccccc1 ZINC000031905830 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@H](O)[C@H]3CCCN3C[C@H]1c1cc(OC)c(OC)cc1-2 ZINC000031908002 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1CN3CCC[C@@H]3[C@@H](O)[C@@H]1c1cc(OC)c(OC)cc1-2 ZINC000031908006 HG Annotated Anodyne C[C@H]1CN(C(=O)c2ccccc2)C[C@@H](C)N1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000032085705 HG Annotated Anodyne C[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)C[C@@H](C)N1C(=O)c1ccccc1 ZINC000032085710 HG Annotated Anodyne O=c1nc(/N=C/N(c2ccccc2)c2ccccc2)ccn1[C@@H]1CS[C@H](CO)O1 ZINC000032139178 HG Annotated Mild O[C@@H]1[C@@H](CBr)O[C@@H](n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000032139441 HG Annotated Reactive Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCN(C)CC4)o3)C(O)=NC2=S)c1C ZINC000033291602 HG Annotated Clean O=C(/C=C\c1ccco1)Oc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000033296707 HG Annotated Reactive Cc1nc(NS(=O)(=O)c2ccccc2)sc1C(=O)N/N=C\c1ccccc1 ZINC000033333545 HG Annotated Reactive Cc1ccc(S(=O)(=O)Nc2nc(C)c(C(=O)N/N=C\c3ccccc3)s2)cc1 ZINC000033333842 HG Annotated Reactive CCOc1ccc(/C=N\NC(=O)c2ccc(Cn3cc(Br)cn3)o2)cc1 ZINC000033335417 HG Annotated Reactive COc1cccc(/C=N\NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)c1 ZINC000033336782 HG Annotated Reactive NC(=S)N/N=C1\c2ccccc2CC[C@@H]1CC[C@@]1(O)CCc2ccccc2C1=O ZINC000033493161 HG Annotated Mild NC(=S)N/N=C1\c2ccccc2CC[C@H]1CC[C@@]1(O)CCc2ccccc2C1=O ZINC000033493162 HG Annotated Mild [N-]=[N+]=NC[C@H]1O[C@@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000033815981 HG Annotated Clean N#Cc1c(Cl)n([C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000033815982 HG Annotated Mild Cc1c(Cl)cccc1-n1nnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000033817035 HG Annotated Bother NC(=O)Cn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 ZINC000033817916 HG Annotated Anodyne NC(=O)CCn1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21 ZINC000033817922 HG Annotated Anodyne N#Cc1cc2c(cc1Cc1cccc(Cl)c1Cl)c(=O)c(C(=O)O)cn2CCO ZINC000033818011 HG Annotated Mild C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000033821986 HG Annotated Reactive in-vitro C[C@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000033821987 HG Annotated Reactive in-vitro C[C@@H]1CCCC[C@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000033821988 HG Annotated Reactive in-vitro C[C@H]1CCCC[C@H]1[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](Cl)[C@@H]1C/C=C\COCC(=O)O ZINC000033821989 HG Annotated Reactive in-vitro CC(=O)O[C@H]1Cc2cc3c(cc2[C@@H]2N(C)Cc4c(ccc5c4OCO5)[C@]12C)OCO3 ZINC000033830082 HG Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1Cc2cc3c(cc2[C@@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3 ZINC000033830193 HG Annotated Anodyne COC(=O)C1=CC=C[C@H]2[C@@]1(C(=O)OC)CC[C@@H](C)[C@@]2(CCc1ccoc1)C(=O)OC ZINC000033830384 HG Annotated Anodyne in-vitro biogenic C=C1[C@@H](O)CC[C@]2(C)[C@@H]1C[C@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000033830655 HG Annotated Mild in-vitro biogenic C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@@]12O ZINC000033831310 HG Annotated Anodyne in-vitro biogenic COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C[C@@](C)(O)[C@@H](C)C2 ZINC000033833642 HG Annotated Anodyne in-vitro biogenic COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000033833644 HG Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](O)[C@H]12)C3(C)C ZINC000033833961 HG Annotated Mild in-vitro biogenic O=[N+]([O-])c1cccc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000033907127 HG Annotated Mild CC[C@@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)[C@]2(O)CO1 ZINC000033955928 HG Annotated Mild CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1 ZINC000033988861 HG Annotated Anodyne CCCCCC[C@@H](C)C1=C(O)C(=O)[C@H]2[C@@H](O)[C@@H](C)C[C@@H](O)[C@@H]2[C@@]1(C)C(=O)CC=O ZINC000034024099 HG Annotated Mild C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000034072746 HG Annotated Anodyne CCOC(=O)/C(C#N)=C\c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1 ZINC000034080943 HG Annotated Reactive Cc1cc(Br)ccc1NC(=O)CN1CCC(c2cccc[n+]2[O-])CC1 ZINC000034104858 HG Annotated Anodyne CCOC(=O)C1=CC[C@H](c2ccc(C#N)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131723 HG Annotated Mild CCOC(=O)C1=CC[C@@H](c2ccc(C#N)cc2)N(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000034131725 HG Annotated Mild CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000034148567 HG Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C/[C@@H]1C ZINC000034148946 HG Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N/OC[C@@H](O)COCc1ccco1 ZINC000034149164 HG Annotated Mild COc1ccc([C@@H](O)[C@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc1OC ZINC000034206520 HG Annotated Anodyne O=C1O[C@@H](COc2cnsn2)CN1c1ccc(-n2cc3cccnc3c2)c(F)c1 ZINC000034231546 HG Annotated Anodyne O[C@H](/C=C/[C@@H]1[C@H]2c3cccc(CCc4nnn[nH]4)c3O[C@H]2C[C@H]1O)CC1CCCCC1 ZINC000034232626 HG Annotated Anodyne O=C1C[C@H]2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3ccnc1c23 ZINC000034235836 HG Annotated Mild C=C(CO)[C@]1(O)C[C@@]2(C)C(=CC1=O)C=C[C@H](OC(=O)/C=C/C=C/[C@@H](C)CC)[C@@H]2C ZINC000034275557 HG Annotated Mild C=CC[C@]12C[C@@H](OC)C(=O)C(OC)=C1O[C@@H](C)[C@@H]2c1cc(OC)c2c(c1)OCO2 ZINC000034319286 HG Annotated Mild CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccs2)C(=O)O)cc1 ZINC000034390296 HG Annotated Anodyne C#CCOC(=O)NCc1cc(-c2sc(-c3cccnc3)nc2N2CCCCC2)n[nH]1 ZINC000034391153 HG Annotated Mild CCCc1cc2c(n1CCO)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000034479138 HG Annotated Anodyne NC(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 ZINC000034517906 HG Annotated Anodyne O=C(O)CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000034572193 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H]1c3cc(OC)c(OC)c(OC)c3OC[C@H]1[C@H](CO)C2 ZINC000034585220 HG Annotated Anodyne CCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 ZINC000034776336 HG Annotated Anodyne CCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000034776340 HG Annotated Anodyne CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccc(C)cc1)N1NC(c3ccco3)=N[C@H]21 ZINC000034800784 HG Annotated Mild CCn1cc2c(n1)N=C(/N=C(\O)Nc1ccc(C)cc1)N1NC(c3ccco3)=N[C@@H]21 ZINC000034800785 HG Annotated Mild CC(=O)NC(=S)NC[C@@H]1C[C@@H]2c3ccc(C(C)(C)C)c4[nH]cc(c34)C[C@H]2N(C)C1 ZINC000034800939 HG Annotated Anodyne C#C[C@@]1(O)CC[C@H]2[C@H]3C=CC4=Cc5c(cnn5S(C)(=O)=O)C[C@@]4(C)[C@@H]3CC[C@]21C ZINC000034801457 HG Annotated Mild in-vivo C#C[C@@]1(O)CC[C@H]2[C@H]3C=CC4=Cc5c(cnn5S(C)(=O)=O)C[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000034801458 HG Annotated Mild in-vivo C#C[C@@]1(O)CC[C@H]2[C@H]3C=CC4=Cc5c(cnn5S(C)(=O)=O)C[C@@]4(C)[C@H]3CC[C@]21C ZINC000034801459 HG Annotated Mild in-vivo C#C[C@@]1(O)CC[C@H]2[C@H]3C=CC4=Cc5c(cnn5S(C)(=O)=O)C[C@@]4(C)[C@H]3CC[C@@]21C ZINC000034801460 HG Annotated Mild in-vivo Cc1ccc(Cl)cc1-n1nnnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000034817564 HG Annotated Bother O=C(CSc1nnnn1-c1cc(F)ccc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000034817566 HG Annotated Bother CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000034853478 HG Annotated Anodyne CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(C)cc1 ZINC000034853480 HG Annotated Anodyne Cc1ccc(CC/N=C(\O)[C@@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)cc1 ZINC000034858053 HG Annotated Mild Cc1ccc(CC/N=C(\O)[C@H]2CCCN(S(=O)(=O)N3CCC(C)CC3)C2)cc1 ZINC000034858054 HG Annotated Mild COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4=NCCS4)cc3n2)cc1 ZINC000034858193 HG Annotated Anodyne CC(C)/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000034861396 HG Annotated Mild C[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)[C@H](C)CN1C(=O)c1ccccc1 ZINC000003591373 HG Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2)[C@H](C)CN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000003591376 HG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cc(Cl)c(F)cc12 ZINC000003591450 HG Annotated Anodyne CNC(=O)/C=C(\c1ccc(OC)cc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1 ZINC000003595283 HG Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O ZINC000003600977 HG Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O ZINC000003600979 HG Annotated Anodyne O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)CS2)N1CCOCC1 ZINC000003638683 HG Annotated Anodyne CN(C)c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)nc(O)c2C#N)cc1 ZINC000003649571 HG Annotated Mild CC1(C)Oc2c(c(=O)n(Cc3ccccc3)c3ccccc23)[C@@H](N2CCCC2=O)[C@@H]1O ZINC000003651445 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)C[C@H]3C)C[C@H]2C)c1 ZINC000003654808 HG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3cccc(F)c3)c21 ZINC000003662142 HG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N(C)c3cccc(C)c3)c21 ZINC000003662157 HG Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Nc3ccc(C)cc3)c21 ZINC000003662159 HG Annotated Anodyne CCOc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCc2ccco2)cc1 ZINC000003665847 HG Annotated Anodyne CCOc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCc2ccco2)cc1 ZINC000003665848 HG Annotated Anodyne CC1([C@H](O)/C=C/[C@@H]2[C@H]3C/C(=C/COCC(=O)O)C[C@H]3C[C@H]2O)Cc2ccccc2C1 ZINC000003779454 HG Annotated Anodyne CC1([C@H](O)/C=C/[C@@H]2[C@H]3CC(CCOCC(=O)O)=C[C@H]3C[C@H]2O)Cc2ccccc2C1 ZINC000003779456 HG Annotated Anodyne O=C1C[C@]2(CCCC[C@H]2Cc2ccccc2)S(=O)(=O)CCN1Cc1cccnc1 ZINC000003783524 HG Annotated Anodyne investigational C/N=C(/S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(=O)(=O)c1cccnc1 ZINC000003797897 HG Annotated Mild CO[C@H]1C[C@H](N(C)C(=O)Cc2cccc3occc23)[C@@H](N2CCCC2)C[C@H]1OC ZINC000003800052 HG Annotated Anodyne O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccc(F)cc2)S1 ZINC000003813950 HG Annotated Mild CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CCCC2=O)C(=O)Nc2cnccn2)cc1Cl ZINC000003818974 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(C(F)(F)F)n[nH]c2-3)C(=O)O1 ZINC000003820988 HG Annotated Anodyne O=C1NC(=O)[C@@](CC#Cc2ccc(Cl)cc2)(S(=O)(=O)c2ccccc2)S1 ZINC000003822873 HG Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccccc4)cs3)[C@H](C)[C@H]12 ZINC000003825025 HG Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ncc(-c4ccccc4)s3)[C@H](C)[C@H]12 ZINC000003825026 HG Annotated Clean CC(C)=CCC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@@]2(O)[C@@H](O3)[C@@](C)(O)CC[C@@H]12 ZINC000003826629 HG Annotated Anodyne O=C(O)COc1cccc(C[C@H]2[C@@H]3CC[C@@H](O3)[C@H]2/C=N/NC(=O)Nc2ccccc2)c1 ZINC000003914906 HG Annotated Reactive COCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 ZINC000003928653 HG Annotated Anodyne N=C(c1ccc(C(=O)Nc2ccc3c(c2)C[C@H](CC(=O)O)CC3)cc1)N1CCOCC1 ZINC000003951488 HG Annotated Anodyne C/C1=C/C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\C=C\CC1 ZINC000003951684 HG Annotated Anodyne c1ccc(CNCc2ccc(CC3CCNCCCOCCCNCC3)cc2)nc1 ZINC000003954865 HG Annotated Anodyne COC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC ZINC000003958862 HG Annotated Anodyne CCc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12 ZINC000003959889 HG Annotated Anodyne CNc1cccc(CCCc2noc(C[C@@H](CC(=O)O)c3ccc4c(c3)OCO4)n2)n1 ZINC000003962025 HG Annotated Anodyne CCOC(=O)COc1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl ZINC000003982782 HG Annotated Anodyne Cc1noc(C)c1COc1cc(F)c(COC(=O)N2[C@@H](C)CNC[C@H]2C)c(F)c1 ZINC000003989048 HG Annotated Anodyne C[C@@H]1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1 ZINC000003991475 HG Annotated Anodyne O=[N+]([O-])c1cc2c(NCCc3ccc(Cl)cc3)ncnc2cc1N1CCNCC1 ZINC000003994909 HG Annotated Bother COc1ccc2c(c1-c1cc(NS(=O)(=O)c3cccc(N)c3)ccc1N)OCO2 ZINC000035000925 HG Annotated Anodyne COc1cc(C2=NN(C(=O)Cc3ccccc3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003044 HG Annotated Anodyne COc1cc(C2=NN(C(=O)Cc3ccccc3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)O ZINC000035003046 HG Annotated Anodyne COc1cc(C2=NN(C(=O)Cc3ccccc3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003049 HG Annotated Anodyne COc1cc(C2=NN(C(=O)Cc3ccccc3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O ZINC000035003051 HG Annotated Anodyne CO[C@]12C(=O)CC[C@@]1(CN1C(=O)c3ccccc3C1=O)[C@H]2[C@@]1(C)O[C@@H]1CC=C(C)C ZINC000035049780 HG Annotated Anodyne CCOC(=O)C[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccccc1 ZINC000035049995 HG Annotated Anodyne CCOC(=O)C[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccccc1 ZINC000035049996 HG Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3C(=O)O[C@@H](CC(C)C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000035063971 HG Annotated Mild Cc1c(CN(O)C=O)c2cc(Br)ccc2n1S(=O)(=O)c1ccccc1 ZINC000035086825 HG Annotated Anodyne O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(-n2ccnc2)ccc1O ZINC000035242442 HG Annotated Clean Cc1cc(Cc2nc3n(n2)Cc2c(C)ncn2-c2ccc(Br)cc2-3)on1 ZINC000035278582 HG Annotated Anodyne CN(c1ccc([N+](=O)[O-])cc1OCc1ccc(Br)cc1)S(C)(=O)=O ZINC000035324013 HG Annotated Bother CC1=C[C@@H]2/C=C(\C)CCC(=O)[C@H](O)CCC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000035455206 HG Annotated Anodyne COc1ccc(Br)cc1CNc1nc2nc3c(c(O)n2n1)CCCC3 ZINC000035562376 HG Annotated Anodyne CN[C@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(F)cc5)sc4c3=O)cn2)C1 ZINC000035818179 HG Annotated Anodyne CN1CCN(c2cccc(-c3cnn4c(N)c(-c5ccc(O)cc5)cnc34)c2)CC1 ZINC000035847899 HG Annotated Anodyne CC(=S)N(NC(=O)CC(=O)NN(C(C)=S)c1ccccc1)c1ccccc1 ZINC000035849830 HG Annotated Reactive COc1ccc(CCNc2cc(-c3cccc(S(C)(=O)=O)c3)nc(OC)n2)cc1 ZINC000035860505 HG Annotated Anodyne Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1 ZINC000035878999 HG Annotated Anodyne COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1 ZINC000035901260 HG Annotated Anodyne C=C1CC/C=C(\C)CC[C@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC ZINC000035901447 HG Annotated Mild CC/C=C/C=C(\OC)[C@@H](O)[C@H](C)C[C@@H](/C=C/C=C/[C@H]1OC(=O)C=C[C@H]1OC)OC ZINC000035918992 HG Annotated Anodyne CCOC(=O)COc1ccc(CCN[C@H](C)[C@H](O)c2ccc(O)cc2)cc1Cl ZINC000035932886 HG Annotated Anodyne CCOC(=O)COc1ccc(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)cc1Cl ZINC000035932888 HG Annotated Anodyne CCOC(=O)COc1ccc(CCN[C@H](C)[C@@H](O)c2ccc(O)cc2)cc1Cl ZINC000035932890 HG Annotated Anodyne COc1cccc2c1C1(CCC(C(=O)N(C)CCN3CCCCC3)CC1)OC2=O ZINC000035934194 HG Annotated Anodyne CO[C@@H]1C=C(CC/C=C(\C)C/C=C/[C@@](C)(O)CC[C@@H](O)[C@]2(C)CCC(=O)O2)C(=O)O1 ZINC000035943618 HG Annotated Anodyne COc1ccc(/C=N\NC(=S)SCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 ZINC000036020483 HG Annotated Mild C[C@H]1/C(=C/C(=O)OCCN(C)C)CC[C@@H]2[C@@H]1C(=O)C[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000036107859 HG Annotated Anodyne COc1ccc(Br)cc1CCc1c(Cl)cccc1C(=O)N=C(N)N ZINC000036126650 HG Annotated Mild COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O ZINC000036126692 HG Annotated Mild COc1ccc(Sc2ccc(OC)cc2N2CCN(CC(=O)O)[C@H](C)C2)cc1 ZINC000036143345 HG Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@@H](NCc1nccs1)C(C)(C)C)CC2 ZINC000036179570 HG Annotated Anodyne Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(C4CCCCC4)CC3)c2)[nH]n1 ZINC000036184026 HG Annotated Anodyne CC(=O)NC(=S)NC[C@@H]1C[C@@H]2c3cc(C(C)(C)C)cc4[nH]cc(c34)C[C@H]2N(C)C1 ZINC000036187743 HG Annotated Anodyne COc1cccc(OC)c1-c1cccn([C@@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O ZINC000036190561 HG Annotated Anodyne COc1cccc(OC)c1-c1cccn([C@H](CN2CC[C@H](O)C2)c2ccccc2)c1=O ZINC000036190564 HG Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@@H]1CNC(=O)[C@H](O)c1ccccc1 ZINC000036216024 HG Annotated Anodyne CN1c2ccccc2C(c2ccccc2F)=NC[C@H]1CNC(=O)[C@H](O)c1ccccc1 ZINC000036216027 HG Annotated Anodyne CN1CCN2c3c(cccc3OS(=O)(=O)C(F)(F)F)Cc3ccccc3[C@@H]2C1 ZINC000036237984 HG Annotated Unstable CN(Cc1ccccc1)Cc1ccn(-c2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])c1 ZINC000036338512 HG Annotated Bother CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(F)cc5)sc4c3=O)cn2)C1 ZINC000036351526 HG Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](N)C4)C3)cc2)cc1 ZINC000036351796 HG Annotated Anodyne O=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1 ZINC000036372560 HG Annotated Anodyne COc1ccc(C(=O)Oc2ccc(C)c3c2C(=O)O[C@@H](C)C3)c2c1C(=O)O[C@@H](C)C2 ZINC000036374445 HG Annotated Anodyne COc1ccc(C(=O)Oc2ccc(C)c3c2C(=O)O[C@H](C)C3)c2c1C(=O)O[C@@H](C)C2 ZINC000036374447 HG Annotated Anodyne COc1ccc(C(=O)Oc2ccc(C)c3c2C(=O)O[C@@H](C)C3)c2c1C(=O)O[C@H](C)C2 ZINC000036374449 HG Annotated Anodyne COc1ccc(C(=O)Oc2ccc(C)c3c2C(=O)O[C@H](C)C3)c2c1C(=O)O[C@H](C)C2 ZINC000036374451 HG Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375692 HG Annotated Mild COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])COC(c2ccc(OCCCO)cc2)=N1 ZINC000036375717 HG Annotated Clean C=CC[C@]1(C(=O)N(C)C)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375800 HG Annotated Mild C=CC[C@@]1(C(=O)N(C)C)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375965 HG Annotated Mild CCN1C(NCCc2ccc([N+](=O)[O-])cc2)=N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000036379159 HG Annotated Bother Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000036379624 HG Annotated Mild CCN1C(NCCc2cccnc2)=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C1C ZINC000036381700 HG Annotated Anodyne COC1=C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000036381802 HG Annotated Mild COC1=C[C@@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000036381812 HG Annotated Mild CC(C)S(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036382616 HG Annotated Anodyne CCOC(=O)/C=C/c1ccc2c(c1)S(=O)(=O)N(C1CCCC1)[C@H]2CC(=O)OCC ZINC000036382886 HG Annotated Anodyne C=CS(=O)(=O)N(Cc1ccccc1Br)[C@H](CO)Cc1ccccc1 ZINC000036382907 HG Annotated Anodyne O=S1(=O)CCOC[C@H](Cc2ccccc2)N1Cc1ccccc1Br ZINC000036382916 HG Annotated Anodyne Cc1ccc(C(=O)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n2CCCC(N)=O)cc1 ZINC000036383453 HG Annotated Anodyne COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036384270 HG Annotated Anodyne COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000036384292 HG Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3nc4ccccc4s3)C[C@H]2CCO)CC1 ZINC000036385794 HG Annotated Anodyne CCOc1ccc(CN2CCN(Cc3nc4c(s3)CCCC4)C[C@H]2CCO)cc1 ZINC000036385808 HG Annotated Anodyne CCCCCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386456 HG Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N1CCC[C@@]21C(=O)OC ZINC000036386473 HG Annotated Anodyne COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 ZINC000036386496 HG Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000036386535 HG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C ZINC000036387204 HG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C ZINC000036387205 HG Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C ZINC000036387229 HG Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387288 HG Annotated Anodyne NC(=O)c1ccc(Cn2c(C(=O)c3ccc(Cl)cc3)c3ccccc3[n+]2[O-])cc1 ZINC000036387407 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)O)c2C3=O)c1OC ZINC000036388421 HG Annotated Anodyne CC(C)OCCCNC(=O)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O ZINC000036388432 HG Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036388468 HG Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000036388553 HG Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036388600 HG Annotated Mild CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H]2[C@@H]1O ZINC000036402109 HG Annotated Anodyne Ic1occc1-c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2 ZINC000036425100 HG Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](NC[C@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2 ZINC000036425207 HG Annotated Anodyne NC(=O)c1ccc(F)c2c1C[C@@H](NC[C@@H]1CCc3[nH]c4ccc(F)cc4c3C1)CO2 ZINC000036425208 HG Annotated Anodyne CC(=O)O[C@H](C(C)=O)[C@H]1OC(=O)[C@@]2(C)CCC[C@](C)(C(=O)CCc3ccoc3)[C@@H]12 ZINC000036443524 HG Annotated Anodyne CC[C@H]1[C@@H]2c3ccc(C(=O)C[C@H](C)C(=O)O)n3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000036471250 HG Annotated Anodyne O=C1CCc2ccc(c([N+](=O)[O-])c2)Oc2cc(cc(Br)c2O)CCN1 ZINC000036473343 HG Annotated Bother c1cnc2c(c1)CC[C@@H]1CCCN(Cc3cn4c(N5CCOCC5)cccc4n3)[C@H]21 ZINC000036487846 HG Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@H]3CCO)nc2nc1CSCc1ccccc1 ZINC000037492503 HG Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000037865633 HG Annotated Mild Cc1nn(-c2ccccn2)c2nc(-c3cccs3)cc(C(=O)N3CCOCC3)c12 ZINC000037868157 HG Annotated Anodyne COc1ccc2cc3n(cc-2c1=NCCCN(C)C)CCc1cc2c(cc1-3)OCO2 ZINC000377811761 HG Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(CCc3ccccc3)ccc21 ZINC000377814231 HG Annotated Anodyne CCOC(=O)CN1C=CC(=C(O)N=N/C=C2/C=C(Br)C=CC2=O)C=C1 ZINC000377815826 HG Annotated Mild CCOC(=O)CN1C=CC(=C(O)N=N/C=C2\C=C(Br)C=CC2=O)C=C1 ZINC000377815827 HG Annotated Mild O=[n+]1[nH]c2c(I)cnn2c2cc(Oc3ccccc3)ccc21 ZINC000377815853 HG Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(OC3CCCCC3)ccc21 ZINC000377815887 HG Annotated Anodyne COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1ccc(C(F)(F)F)cc12 ZINC000377815891 HG Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377820929 HG Annotated Anodyne COC1=C/C(=C/C=C2/Sc3ccccc3N2CCCS(=O)(=O)O)C=CC1=O ZINC000377833863 HG Annotated Mild COC1=C/C(=C/C=C2\Sc3ccccc3N2CCCS(=O)(=O)O)C=CC1=O ZINC000377833864 HG Annotated Mild COc1ccccc1-c1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377836320 HG Annotated Anodyne COc1ccc(-c2ccc3c(c2)n2ncc(I)c2[nH][n+]3=O)cc1 ZINC000377836321 HG Annotated Anodyne COc1ccccc1COC(=O)c1cnn2c1[nH][n+](=O)c1cc(C(F)(F)F)ccc12 ZINC000377839378 HG Annotated Anodyne CCOC(=O)c1ccc2c(c1)n(O)c(C(=O)c1cccs1)c(C(F)(F)F)[n+]2=O ZINC000377845657 HG Annotated Anodyne COC1=CC(=C/C=C2/C=C(N3CCN(C)CC3)c3ccccc3N2C)C=C(OC)C1=O ZINC000377853436 HG Annotated Mild COC1=CC(=C/C=C2\C=C(N3CCN(C)CC3)c3ccccc3N2C)C=C(OC)C1=O ZINC000377853437 HG Annotated Mild COC1=CC(=C/C=C2\C=C(N3CCOCC3)c3ccccc3N2C)C=C(OC)C1=O ZINC000377853449 HG Annotated Mild COC1=CC(=C/C=C2/C=C(N3CCOCC3)c3ccccc3N2C)C=C(OC)C1=O ZINC000377853450 HG Annotated Mild COC1=C[C@H](C(=O)N[C@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@H]2CC1=O ZINC000038142287 HG Annotated Mild C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCCS(C)(=O)=O)c2ccccc21 ZINC000038142845 HG Annotated Mild CCn1c(=O)n(Cc2nc3ccccc3n2CCCC[C@H](O)C(C)=O)c2ccccc21 ZINC000038142847 HG Annotated Anodyne CCCCCCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000038152109 HG Annotated Mild CNc1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 ZINC000038153793 HG Annotated Anodyne COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(O)c3O)cc(Br)c1OC ZINC000038153940 HG Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(O)c3O)cc(Br)c1OC ZINC000038153941 HG Annotated Reactive OCc1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 ZINC000038157625 HG Annotated Anodyne CC(C)(C)n1ncc(OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1=O ZINC000038245737 HG Annotated Bother COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000038253584 HG Annotated Anodyne COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000038253585 HG Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](O)C(C)(C)O2 ZINC000038268381 HG Annotated Bother O=C1C(N[C@H]2Cc3cc(Br)c(O)cc3S2)=CC2=NCCc3c[nH]c1c32 ZINC000038291031 HG Annotated Mild CC(=S)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nc4ccccc4n3)cc2)C(=O)O1 ZINC000038334477 HG Annotated Reactive CS/C(=N/C#N)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 ZINC000038396879 HG Annotated Mild O=C(Cc1ccccn1)NCc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 ZINC000038459991 HG Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@H](C)C3=O)OCO2 ZINC000038629308 HG Annotated Anodyne O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3F)c2-c2ccncn2)CC1 ZINC000038629567 HG Annotated Anodyne COc1ccc([C@H]2C[C@H]3CO[C@@H](c4c5c(c(OC)c6c4OCO6)OCO5)[C@H]3O2)cc1 ZINC000038792193 HG Annotated Anodyne CSc1nc2ccc(Br)cn2c(=N)c1S(=O)(=O)c1ccccc1 ZINC000038797761 HG Annotated Anodyne Cc1cn2c(/C=N/N=C(N)N)c(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)nc2s1 ZINC000038807567 HG Annotated Mild Cc1csc2nc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)c(/C=N/N=C(N)N)n12 ZINC000038807569 HG Annotated Mild CCOCCN1CCc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 ZINC000038838677 HG Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@]12C ZINC000038855294 HG Annotated Anodyne CC(=O)[C@@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C ZINC000038855296 HG Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\C=C\C(=O)O)[C@@](C)([C@]34CO4)[C@@]2(C)CC1 ZINC000038897336 HG Annotated Anodyne CS(=O)(=O)c1ccc([C@H](C[C@H]2CCC(=O)C2)C(=O)Nc2cnccn2)cc1Cl ZINC000038939679 HG Annotated Anodyne C=CCC1=C[C@@]2(OC)OC(=O)[C@@H](C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000039032870 HG Annotated Mild CC(=O)Nc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1NC(C)=O ZINC000039064189 HG Annotated Anodyne C[C@]12[C@@H](O)C[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000039106349 HG Annotated Anodyne CC(=O)O[C@@H](C(C)=O)[C@H]1OC(=O)[C@@]2(C)CCC[C@](C)(C(=O)CCc3ccoc3)[C@@H]12 ZINC000039142204 HG Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@]3(C)CCCC(C)=C3C2)O[C@H](C)[C@H](O)[C@@H]1O ZINC000039142438 HG Annotated Anodyne C=C1C[C@]23CC[C@H]1C[C@H]2[C@]12C=N[C@H](O)[C@](C)(CCC1)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000039143537 HG Annotated Mild COc1ccc([C@H]2OC[C@H]([C@@H](OC)c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000039163431 HG Annotated Anodyne in-vitro biogenic COc1c2occc2c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccc(=O)oc12 ZINC000039246007 HG Annotated Bother CN(CCc1ccccn1)C(=O)[C@@H]1CCCN1c1nccc(Nc2ccccc2)n1 ZINC000039301388 HG Annotated Anodyne Cc1cnc(CNC(=O)CN2Cc3ccccc3O[C@H](c3ccccc3F)C2)cn1 ZINC000039355246 HG Annotated Anodyne Cc1cnc(CNC(=O)CN2Cc3ccccc3O[C@@H](c3ccccc3F)C2)cn1 ZINC000039355248 HG Annotated Anodyne O=C(CN(C(=O)c1csnn1)c1cnc2ccccc2c1)NCc1ccccc1 ZINC000039981593 HG Annotated Anodyne COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 ZINC000004001709 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2oc(S[C@@H]3CCOC3=O)nc2c1 ZINC000004001731 HG Annotated Anodyne aggregator O=C1C(/C=N/c2ccc(S(=O)(=O)Nc3ncccn3)cc2)=C(O)c2ccccc21 ZINC000004023002 HG Annotated Mild CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)ccc21 ZINC000004034953 HG Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004035390 HG Annotated Anodyne COc1ccc(N2C(=O)CC[C@@H](C(=O)N3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004035391 HG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCOCC3)[C@H]2c2ccc(F)cc2)cc1 ZINC000004035392 HG Annotated Anodyne COc1ccc(N2C(=O)CC[C@H](C(=O)N3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000004035393 HG Annotated Anodyne CSCCc1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2[nH]c1=O ZINC000004035953 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004039320 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004039326 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000004039332 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1 ZINC000004039337 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004040019 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004040039 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004040054 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCCCN2CCCC2)cc1 ZINC000004040065 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004040986 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004040989 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000004040992 HG Annotated Anodyne CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccsc1 ZINC000004040996 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCO)cc1 ZINC000004041255 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCO)cc1 ZINC000004041256 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCO)cc1 ZINC000004041260 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCO)cc1 ZINC000004041262 HG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCC#N ZINC000004041803 HG Annotated Mild CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCC#N ZINC000004041805 HG Annotated Mild CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCC#N ZINC000004041807 HG Annotated Mild CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCC#N ZINC000004041810 HG Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041859 HG Annotated Mild CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)cc1 ZINC000004041861 HG Annotated Mild CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041864 HG Annotated Mild CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)cc1 ZINC000004041866 HG Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042007 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042009 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042013 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004042017 HG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c1 ZINC000004043435 HG Annotated Mild CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCC#N)c1 ZINC000004043441 HG Annotated Mild CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c1 ZINC000004043443 HG Annotated Mild CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCC#N)c1 ZINC000004043446 HG Annotated Mild CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043598 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043600 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043609 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000004043612 HG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004044447 HG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004044450 HG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004044451 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1 ZINC000004044453 HG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004044905 HG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004044907 HG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004044922 HG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004044923 HG Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004045124 HG Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004045130 HG Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004045134 HG Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccsc1 ZINC000004045137 HG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000004045558 HG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000004045561 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046289 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000004046291 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049366 HG Annotated Bother CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049367 HG Annotated Bother CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004049368 HG Annotated Bother O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004049447 HG Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049448 HG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004049449 HG Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004049450 HG Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049547 HG Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049548 HG Annotated Bother CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049549 HG Annotated Bother CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049550 HG Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050096 HG Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050098 HG Annotated Bother COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050099 HG Annotated Bother COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050100 HG Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004050876 HG Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004050877 HG Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004050878 HG Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004050881 HG Annotated Anodyne O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004051921 HG Annotated Bother O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000004051922 HG Annotated Bother CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055080 HG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055081 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055082 HG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC ZINC000004055083 HG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055230 HG Annotated Bother O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055231 HG Annotated Bother O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055232 HG Annotated Bother O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055233 HG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056014 HG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056015 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000004056016 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccn1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004056593 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccccn1)[C@H](c1cccnc1)N(C)C2=O ZINC000004056594 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccn1)[C@@H](c1cccnc1)N(C)C2=O ZINC000004056595 HG Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccccn1)[C@H](c1cccnc1)N(C)C2=O ZINC000004056596 HG Annotated Anodyne CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCCc4ccccc43)ccc2O1 ZINC000004056841 HG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004077546 HG Annotated Anodyne C[C@@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCc2ccccc2C1 ZINC000004077551 HG Annotated Anodyne C[C@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCc2ccccc2C1 ZINC000004077552 HG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000004077553 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077678 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004077684 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079393 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079418 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004079429 HG Annotated Anodyne Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1 ZINC000004079568 HG Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079810 HG Annotated Bother CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004079811 HG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004080787 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1 ZINC000004080790 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000004080792 HG Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004081368 HG Annotated Bother CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004081370 HG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004081384 HG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081385 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000004081386 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccsc1 ZINC000004081387 HG Annotated Anodyne COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NC[C@@H]2CCCO2)c(OC)c1 ZINC000004083273 HG Annotated Anodyne CC(C)NC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1 ZINC000004093157 HG Annotated Anodyne O=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1 ZINC000004101278 HG Annotated Anodyne O=C1CC[C@@H](C(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 ZINC000004101631 HG Annotated Anodyne O=C1CC[C@H](C(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCCC2)N1 ZINC000004101632 HG Annotated Anodyne O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21 ZINC000004101718 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)N[C@H]2CCCC[C@H]2C)C(C)C)cc1 ZINC000004102081 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)N[C@H]2CCCC[C@@H]2C)C(C)C)cc1 ZINC000004102083 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)N[C@@H]2CCCC[C@H]2C)C(C)C)cc1 ZINC000004102084 HG Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)N[C@@H]2CCCC[C@@H]2C)C(C)C)cc1 ZINC000004102085 HG Annotated Anodyne O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)c1 ZINC000004102106 HG Annotated Anodyne CCO[P@@]1(=S)Oc2cc3c(cc2[C@@](C(=O)OC)(C(F)(F)F)O1)OCO3 ZINC000004103824 HG Annotated Reactive CCO[P@]1(=S)Oc2cc3c(cc2[C@@](C(=O)OC)(C(F)(F)F)O1)OCO3 ZINC000004103825 HG Annotated Reactive CCO[P@@]1(=S)Oc2cc3c(cc2[C@](C(=O)OC)(C(F)(F)F)O1)OCO3 ZINC000004103826 HG Annotated Reactive CCO[P@]1(=S)Oc2cc3c(cc2[C@](C(=O)OC)(C(F)(F)F)O1)OCO3 ZINC000004103827 HG Annotated Reactive COc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2F)C[S@](=O)C3)cc1 ZINC000004106192 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cn(C)c2ccccc12 ZINC000004126167 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1cn(C)c2ccccc12 ZINC000004126173 HG Annotated Anodyne CN1C(=O)c2ccccc2[C@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1cn(C)c2ccccc12 ZINC000004126175 HG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000004142989 HG Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)cc1 ZINC000004143425 HG Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)OCC(F)(F)C(F)F)cc1 ZINC000004143426 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152327 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152328 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000004152330 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NC[C@@H](O)CC ZINC000004152403 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000004152404 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@@H](O)CC ZINC000004152405 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NC[C@H](O)CC ZINC000004152406 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCO ZINC000004152570 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCO ZINC000004152571 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCO ZINC000004152573 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCO ZINC000004152574 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCO ZINC000004152591 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCO ZINC000004152593 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCO ZINC000004152594 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCO ZINC000004152596 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCO ZINC000004152628 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCO ZINC000004152629 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCO ZINC000004152630 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCO ZINC000004152632 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004153374 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCOC ZINC000004153375 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCCOC ZINC000004153376 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCCOC ZINC000004153377 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)N1CCOCC1 ZINC000004153763 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)N1CCOCC1 ZINC000004153764 HG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000004153774 HG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000004153775 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000004153871 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000004153872 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000004153873 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004153874 HG Annotated Anodyne CN1C(=O)N[C@@H](c2cccc(F)c2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162511 HG Annotated Anodyne CN1C(=O)N[C@@H](c2cccc(F)c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F ZINC000004162512 HG Annotated Anodyne CCCOc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177375 HG Annotated Anodyne CCCOc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177378 HG Annotated Anodyne CCCOc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177386 HG Annotated Anodyne CC(C)Oc1ccc(CO[C@H]2[C@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177439 HG Annotated Anodyne CC(C)Oc1ccc(CO[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177442 HG Annotated Anodyne CC(C)Oc1ccc(CO[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000004177445 HG Annotated Anodyne CC(C)C(=O)NNC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000004187356 HG Annotated Reactive Cc1cccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)C[C@H]3C)C[C@@H]2C)c1 ZINC000004192907 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206350 HG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206352 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206353 HG Annotated Anodyne CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC ZINC000004206357 HG Annotated Anodyne O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206725 HG Annotated Bother O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206727 HG Annotated Bother O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206729 HG Annotated Bother O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004206730 HG Annotated Bother CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208185 HG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208186 HG Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208187 HG Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)C1 ZINC000004208188 HG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208532 HG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CCOCC1 ZINC000004208533 HG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004209992 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1 ZINC000004209999 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000004210004 HG Annotated Anodyne CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004211387 HG Annotated Bother CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004211390 HG Annotated Bother O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000004211424 HG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211426 HG Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccsc1 ZINC000004211429 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOCCO ZINC000004212658 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCOCCO ZINC000004212661 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCOCCO ZINC000004212665 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCOCCO ZINC000004212668 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCOCCO ZINC000004213628 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCOCCO ZINC000004213630 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCOCCO ZINC000004213632 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCOCCO ZINC000004213633 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCC#N ZINC000004213966 HG Annotated Mild CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCC#N ZINC000004213968 HG Annotated Mild CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCC#N ZINC000004213970 HG Annotated Mild CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCC#N ZINC000004213972 HG Annotated Mild CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216340 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216343 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216346 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004216351 HG Annotated Anodyne N#CCCn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238348 HG Annotated Mild COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238363 HG Annotated Anodyne COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)c1 ZINC000004238372 HG Annotated Anodyne COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)cc1 ZINC000004238379 HG Annotated Anodyne CCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1 ZINC000004238443 HG Annotated Anodyne COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238516 HG Annotated Anodyne N#CCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238566 HG Annotated Mild COCCn1c(=O)c(CCc2ccccc2)nc2cnc(OCc3ccccc3)nc21 ZINC000004238612 HG Annotated Anodyne COc1cccc(Cn2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)c1 ZINC000004238675 HG Annotated Anodyne CCNc1ncc2nc(CCc3ccccc3)c(=O)n(Cc3cccc(OC)c3)c2n1 ZINC000004238682 HG Annotated Anodyne COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc21 ZINC000004238819 HG Annotated Anodyne COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N(C)C)nc32)cc1 ZINC000004239028 HG Annotated Anodyne CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000004239087 HG Annotated Anodyne COc1cccc(Cn2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N(C)C)nc32)c1 ZINC000004239149 HG Annotated Anodyne COc1ccc(CNc2ccnc(-c3cccc(NS(C)(=O)=O)c3)n2)c(OC)c1 ZINC000004239232 HG Annotated Anodyne COc1ccc(CNc2ncncc2-c2cccc(NS(C)(=O)=O)c2)c(OC)c1 ZINC000004239382 HG Annotated Anodyne COc1ccc(CNc2cc(-c3cccc(NS(C)(=O)=O)c3)ncn2)c(OC)c1 ZINC000004257399 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295008 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295009 HG Annotated Anodyne CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295011 HG Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N[C@@H]1CCCCNC1=O ZINC000004295013 HG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296082 HG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296084 HG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296087 HG Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)c(OC)c1 ZINC000004296089 HG Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296426 HG Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296427 HG Annotated Mild COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296428 HG Annotated Mild COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296429 HG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCC#N ZINC000004296691 HG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCC#N ZINC000004296692 HG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCC#N ZINC000004296693 HG Annotated Mild CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCC#N ZINC000004296694 HG Annotated Mild CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCO ZINC000004296860 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCO ZINC000004296861 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCO ZINC000004296862 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCO ZINC000004296863 HG Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296960 HG Annotated Mild COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296961 HG Annotated Mild COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296962 HG Annotated Mild COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCC#N)c(OC)c1 ZINC000004296963 HG Annotated Mild COc1ccc(S(=O)(=O)c2cn(C)c3cc(N4CCCC4)c(F)cc3c2=O)cc1 ZINC000004335270 HG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004347395 HG Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004347398 HG Annotated Anodyne O=C(N/N=C/c1ccc(C(=O)O)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 ZINC000004350339 HG Annotated Reactive Cc1ccc([C@@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1 ZINC000004354904 HG Annotated Anodyne Cc1ccc([C@H](C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1 ZINC000004354906 HG Annotated Anodyne CC(C)[C@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@@H](C)CCC[C@H]2C)C1=O ZINC000004388929 HG Annotated Anodyne CC(C)[C@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@@H](C)CCC[C@@H]2C)C1=O ZINC000004388930 HG Annotated Anodyne CC(C)[C@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@H](C)CCC[C@H]2C)C1=O ZINC000004388931 HG Annotated Anodyne Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2 ZINC000004434703 HG Annotated Anodyne COc1ccc2nc(NCCCNS(=O)(=O)c3ccc(F)cc3)c(C#N)cc2c1 ZINC000040011627 HG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCCCCCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040379240 HG Annotated Bother CNC1(c2ccc(N3CCc4c(C#N)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1 ZINC000040379498 HG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCCCCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040379535 HG Annotated Bother COc1ccc2nc3oc(=O)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 ZINC000040379581 HG Annotated Bother COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(OC)n1 ZINC000040379598 HG Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2C1=CCOC1=O)[C@H](O)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12 ZINC000040379882 HG Annotated Anodyne Nc1nc(-c2ccccc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000040380327 HG Annotated Anodyne CCc1ccc(Oc2ccc(C(=O)N[C@H]3C[C@H]3CCC(=O)NCC(=O)OC)cc2)cc1 ZINC000040380711 HG Annotated Anodyne CCCCSc1nc(N(C)C)c2nc(O)c(=O)n(Cc3ccc(F)cc3)c2n1 ZINC000040391107 HG Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cccc2oc(N3CCNCC3)nc12 ZINC000040391131 HG Annotated Anodyne COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2OS3(=O)=O)cc1 ZINC000040392223 HG Annotated Anodyne COC(OC)[C@@H]1O[C@@H](c2ccc(F)cc2)O[C@@H]2CO[C@H](c3ccc(F)cc3)O[C@@H]21 ZINC000040392534 HG Annotated Anodyne COC(OC)[C@@H]1O[C@@H](c2ccc(F)cc2)O[C@@H]2CO[C@@H](c3ccc(F)cc3)O[C@@H]21 ZINC000040392536 HG Annotated Anodyne COC(OC)[C@@H]1O[C@H](c2ccc(F)cc2)O[C@@H]2CO[C@H](c3ccc(F)cc3)O[C@@H]21 ZINC000040392538 HG Annotated Anodyne COC(OC)[C@@H]1O[C@H](c2ccc(F)cc2)O[C@@H]2CO[C@@H](c3ccc(F)cc3)O[C@@H]21 ZINC000040392540 HG Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)C3 ZINC000040392643 HG Annotated Mild in-vitro biogenic O=S(=O)(c1cc(Cl)ccc1Cl)c1cccc2oc(N3CCNCC3)nc12 ZINC000040393230 HG Annotated Anodyne C=C(C(=O)OC)[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 ZINC000040393399 HG Annotated Mild COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H](O)[C@H](C)[C@H](C)C3=O)OCO2 ZINC000040393975 HG Annotated Anodyne CO[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)CC[C@@]1(C)O ZINC000040394276 HG Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)[C@]2(O)CC[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]2(C)[C@H]1OC(C)=O ZINC000040394751 HG Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O)[C@@]5(CCC[C@H](C)O5)N=C(N2)N43)O1 ZINC000040395055 HG Annotated Anodyne Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccccc1Br)C(=O)N2C ZINC000040402449 HG Annotated Mild COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)Nc2ccc(NC(C)=O)cc2)cc1 ZINC000040403510 HG Annotated Mild COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)c1 ZINC000040405105 HG Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)c1 ZINC000040405108 HG Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[nH]2)cc1 ZINC000040405328 HG Annotated Anodyne COc1ccc(/C=N/Nc2[nH]nc(C)c2C(=O)NCCc2ccc(OC)cc2)cc1 ZINC000040406422 HG Annotated Mild N#C/C(=C\N1CCN(C(=O)c2ccco2)C1=S)C(=O)Nc1ccc(Cl)cc1 ZINC000040406474 HG Annotated Reactive CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2ccccc2n2c(C(C)C)nnc12 ZINC000040406669 HG Annotated Anodyne C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccc3)nn2)O1 ZINC000040410162 HG Annotated Mild COc1cc([C@@H]2C/C(=N\O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000040411205 HG Annotated Mild COc1cc([C@H]2C/C(=N\O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000040411208 HG Annotated Mild COCCN(CCOC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3C)c(C)nn12 ZINC000040412244 HG Annotated Anodyne CN(C)CCC(=O)Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1 ZINC000040412296 HG Annotated Anodyne CC(=O)Nc1ccc(Cc2noc(CCC(=O)Nc3ccc(F)cc3F)n2)cc1 ZINC000040413262 HG Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)c1 ZINC000040413615 HG Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc4c(cc32)OC(F)(F)O4)c1 ZINC000040413617 HG Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)ON(C)C3=O)c1 ZINC000040413623 HG Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(Nc4cc5c(cc42)OCO5)C(C)(C)ON(C)C3=O)c1 ZINC000040413626 HG Annotated Anodyne CCn1cc(C(=O)NC)c(=O)c2cc(F)c3[nH]c(-c4ccc(N(C)C)cc4)nc3c21 ZINC000040421156 HG Annotated Clean O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccc(Br)cc1 ZINC000040421195 HG Annotated Anodyne Nc1cccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)c1 ZINC000040421633 HG Annotated Anodyne Oc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[C@H]3Cc4cc(O)c(O)cc4[N+]13CC2 ZINC000040423191 HG Annotated Clean CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C ZINC000040423871 HG Annotated Anodyne CCCc1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423977 HG Annotated Mild CCCc1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423978 HG Annotated Mild COc1ccc2c(c1-c1cc(NS(=O)(=O)c3ccccc3N)ccc1N)OCO2 ZINC000040424001 HG Annotated Anodyne Cn1nnc(-c2ccc3nc(C4CCC5(CC4)OC(=O)c4ccccc45)[nH]c3c2)n1 ZINC000040424012 HG Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(\C)C=O)[C@@]3(C)CC[C@H]21 ZINC000040424174 HG Annotated Reactive CN(C)/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1 ZINC000040424324 HG Annotated Mild COc1cc(-c2ccc(/C=C3/C(=O)NC(=S)N=C3O)o2)c(Cl)cc1C(=O)O ZINC000040424667 HG Annotated Clean CC(=O)O[C@H]1C[C@@]23C[C@@H](C(=O)C=C2[C@]2(C)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]12)[C@@H](C)C3=O ZINC000040428922 HG Annotated Mild COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O ZINC000040429128 HG Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000040429422 HG Annotated Bother O=C(c1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO)c1ccc(Cl)cc1Cl ZINC000040429585 HG Annotated Anodyne Nc1ccnc(N2CCC(n3c(=O)n(Cc4ccccc4)c4cccnc43)CC2)c1 ZINC000040430270 HG Annotated Anodyne COc1ccc(-n2c(=O)n(C3CCN(c4cc(N)ccn4)CC3)c3ncccc32)cc1 ZINC000040430384 HG Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(OC)c(OC(C)=O)cc14)[C@@H]32 ZINC000040430458 HG Annotated Anodyne CC(C)Oc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000040430835 HG Annotated Anodyne CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 ZINC000040447653 HG Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 ZINC000040447654 HG Annotated Reactive O=S(=O)(CS(=O)(=O)C(F)(F)F)c1ccc(SC(F)(F)C(F)F)cc1 ZINC000040464969 HG Annotated Mild CC1(C)C=C(C(=O)NCCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1 ZINC000040466652 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCN(CCC[C@H](O)c3ccc(F)cc3)[C@H](C)C2)cc1 ZINC000040471755 HG Annotated Anodyne C(=N\NC1=NCCC1)\c1ccc(-c2cn3cc(/C=N\NC4=NCCC4)ccc3n2)cc1 ZINC000040496560 HG Annotated Mild C(=N\NC1=NCCC1)\c1ccc2nc(-c3ccc(/C=N/NC4=NCCC4)cc3)cn2c1 ZINC000040496562 HG Annotated Mild C(=N\NC1=NCCC1)\c1ccc(-c2cn3cc(/C=N/NC4=NCCC4)ccc3n2)cc1 ZINC000040496563 HG Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000040496718 HG Annotated Anodyne C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]2(C)[C@]12OCO[C@]21COCO1 ZINC000040496758 HG Annotated Anodyne CC(C)[C@H]1C(=O)N(C2Cc3ccccc3C2)CC2=N[C@@H](C(C)C)[C@@](O)(C(F)(F)F)N21 ZINC000040514467 HG Annotated Anodyne O=C1Oc2ccccc2[C@@H](O)[C@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@H]1O ZINC000040525978 HG Annotated Anodyne O=C1Oc2ccccc2[C@@H](O)[C@@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@H]1O ZINC000040525980 HG Annotated Anodyne O=C1Oc2ccccc2[C@H](O)[C@@H]1C(c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@H]1O ZINC000040525983 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)cc2)C(=O)O1 ZINC000040527598 HG Annotated Reactive CC1=C(Cc2ccccc2)C(=O)[C@@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O ZINC000040564486 HG Annotated Mild O=C1O[C@@H](COc2cnccn2)CN1c1ccc(-n2cc3cccnc3c2)c(F)c1 ZINC000040565385 HG Annotated Anodyne Cc1cc(CC(=O)NCc2ccc(-c3nc(C(=O)N4CCCCC4)co3)cc2)on1 ZINC000040566824 HG Annotated Anodyne COc1ccc(N(C)c2cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000040566963 HG Annotated Clean CC(=O)NS(=O)(=O)c1cccc(-c2ccc(/C=C3\C(=O)C=C(O)C(C#N)=C3C)o2)c1 ZINC000040567062 HG Annotated Reactive O=C1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 ZINC000040567302 HG Annotated Anodyne CC[C@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000040567561 HG Annotated Anodyne C[C@@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000040568286 HG Annotated Anodyne Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O ZINC000040575598 HG Annotated Bother CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2cccn2C)C3=O)C(=O)O1 ZINC000040576293 HG Annotated Mild CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccc(O)cc2)C3=O)C(=O)O1 ZINC000040576820 HG Annotated Mild N#CC(C#N)=C1N(CCCCN2CCCCC2)CCN1CCCCN1CCCCC1 ZINC000040614173 HG Annotated Reactive COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCC1)N1CCCCCC1 ZINC000040619916 HG Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC(=O)N1CCCC1)N1CCCCCC1 ZINC000040619920 HG Annotated Anodyne Cc1cc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000040619974 HG Annotated Mild Cc1cc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)ccc1Br ZINC000040619980 HG Annotated Mild COc1cc(C)cc(OC)c1OC(=O)[C@@H](CC(=O)N1CCCCC1)N1CCCCC1 ZINC000040632345 HG Annotated Anodyne COc1cc(C)cc(OC)c1OC(=O)[C@H](CC(=O)N1CCCCC1)N1CCCCC1 ZINC000040632347 HG Annotated Anodyne O=c1nc(/N=C/N(c2ccccc2)c2ccccc2)ccn1[C@H]1CS[C@H](CO)O1 ZINC000040639742 HG Annotated Mild O=c1nc(/N=C/N(c2ccccc2)c2ccccc2)ccn1[C@@H]1CS[C@@H](CO)O1 ZINC000040639743 HG Annotated Mild O=c1nc(/N=C/N(c2ccccc2)c2ccccc2)ccn1[C@H]1CS[C@@H](CO)O1 ZINC000040639745 HG Annotated Mild CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 ZINC000040685254 HG Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 ZINC000040685257 HG Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@H]1c1ccccn1 ZINC000040685260 HG Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccncc2)=NC(C)=C(C#N)[C@@H]1c1ccccn1 ZINC000040685263 HG Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2)C(=O)O1 ZINC000040741570 HG Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3cnc4ccccc43)cc2)C(=O)O1 ZINC000040743043 HG Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)C(=O)O1 ZINC000040747362 HG Annotated Reactive O=C1O[C@@H](Cn2ccccc2=O)CN1c1ccc(-n2cc3cccnc3c2)c(F)c1 ZINC000040762327 HG Annotated Anodyne CO[C@]12C(=O)CC[C@@]1(CN1C(=O)c3ccccc3C1=O)[C@@H]2[C@@]1(C)O[C@@H]1CC=C(C)C ZINC000040763079 HG Annotated Anodyne Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2)c1O ZINC000040764220 HG Annotated Bother C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040781746 HG Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000040781748 HG Annotated Anodyne O=C(O)c1cnc(Sc2nnc(Sc3ncc(C(=O)O)s3)s2)s1 ZINC000040835537 HG Annotated Clean COc1ccc([C@@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)cc1OC ZINC000040845214 HG Annotated Anodyne COc1ccc(OCC#N)c(CCNC(=S)Nc2ccc(Br)cn2)c1 ZINC000040845262 HG Annotated Mild CC[C@@H]1C2=C(C(=O)N1C)[C@H](c1ccc(F)c(Br)c1)C1=C(O)COCC1=N2 ZINC000040845282 HG Annotated Anodyne C=C1C(=O)[C@@H]2C3=C(C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]34C)C[C@H]1[C@@H]2O ZINC000040846675 HG Annotated Mild CC(C)N1C[C@H](C)n2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)ncc32)C1=O ZINC000040846809 HG Annotated Anodyne COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(=O)oc3nc2c1 ZINC000040848075 HG Annotated Bother COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(=O)oc3nc12 ZINC000040848076 HG Annotated Bother COc1ccc(OC)c([C@H]2C=C(c3cc(OC)c(OC)c(OC)c3)NC(=S)N2)c1 ZINC000040848322 HG Annotated Anodyne COc1cc(C2=C[C@H](c3ccc([N+](=O)[O-])cc3)NC(=S)N2)cc(OC)c1OC ZINC000040848344 HG Annotated Bother COc1cc(C2=C[C@@H](c3ccc([N+](=O)[O-])cc3)NC(=S)N2)cc(OC)c1OC ZINC000040848345 HG Annotated Bother COc1cc(OC)c([C@H]2C=C(c3cc(OC)ccc3OC)NC(=S)N2)c(OC)c1 ZINC000040848563 HG Annotated Anodyne COc1ccc(OC)c(C2=C[C@H](c3ccc(OC)c([N+](=O)[O-])c3)NC(=S)N2)c1 ZINC000040848567 HG Annotated Bother COc1ccc(OC)c(C2=C[C@@H](c3ccc(OC)c([N+](=O)[O-])c3)NC(=S)N2)c1 ZINC000040848569 HG Annotated Bother COC(=O)[C@H]1Cc2ccc(OC)c(OC)c2-c2cc3c(cc2C[C@H]1OC)OCO3 ZINC000040862330 HG Annotated Anodyne COc1cc(OC(C)(C)CO)c(CO)c2c1c(=O)c1cc3ccccc3cc1n2C ZINC000040862646 HG Annotated Bother CC1(C)C[C@@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)CCO2)c2ccccc2O1 ZINC000040863446 HG Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)CCO2)c2ccccc2O1 ZINC000040863448 HG Annotated Anodyne COc1c([C@H]2OC[C@@H]3[C@@H](c4ccc5c(c4OC)OCO5)OC[C@H]23)ccc2c1OCO2 ZINC000040863571 HG Annotated Anodyne O=C(c1ccccc1Cl)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 ZINC000040863587 HG Annotated Bother O=C(c1cccc(Cl)c1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])o3)s2)CC1 ZINC000040864632 HG Annotated Bother N[C@@H](Cc1ccc(-c2cnc(NC[C@H]3CCc4ccccc4C3)cn2)cc1)C(=O)O ZINC000040865609 HG Annotated Anodyne N[C@@H](Cc1ccc(-c2cnc(NC[C@@H]3CCc4ccccc4C3)cn2)cc1)C(=O)O ZINC000040865611 HG Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)c1)c1cccc2oc(N3CCNCC3)nc12 ZINC000040865881 HG Annotated Anodyne CCN(CC)C(=O)c1c(OC2CCN(C)CC2)c2cccnc2n2c(C(C)C)nnc12 ZINC000040872875 HG Annotated Anodyne O=C(c1cccs1)N1CCN(c2nnc(-c3ccc([N+](=O)[O-])s3)s2)CC1 ZINC000040873814 HG Annotated Bother CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000040873840 HG Annotated Anodyne CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@@H](C)CO)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000040873842 HG Annotated Anodyne CC[C@@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000040873844 HG Annotated Anodyne CC[C@H](C)c1cc(=O)oc2c(C(=O)C[C@H](C)CO)c(O)c3c(c12)O[C@@H](C(C)(C)O)C3 ZINC000040873846 HG Annotated Anodyne O=P(O)(O)[C@H](CCCc1cccc(Oc2ccc(F)cc2)c1)S(=O)(=O)O ZINC000040874306 HG Annotated Anodyne O=P(O)(O)[C@@H](CCCc1cccc(Oc2ccc(F)cc2)c1)S(=O)(=O)O ZINC000040874308 HG Annotated Anodyne C#CCOc1ccc(OC)cc1CCNC(=S)Nc1ccc(Br)cn1 ZINC000040874366 HG Annotated Mild C[C@@H](c1ccc2c(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 ZINC000040874486 HG Annotated Mild CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@]2(O)CC[C@H]3C(=O)c4ccoc4C[C@@H]3[C@@]12C ZINC000040874492 HG Annotated Anodyne COC(=O)c1c(NCCN(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040874743 HG Annotated Anodyne CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000040875800 HG Annotated Clean CC(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000040875803 HG Annotated Clean CC(=O)[C@@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@@H]2[C@@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000040877969 HG Annotated Anodyne CC(=O)[C@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@H]2[C@@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000040877975 HG Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccccc1 ZINC000040880793 HG Annotated Reactive Cc1ccc(Nc2cc(-c3ccc(CCCO)cc3)ncn2)cc1NS(C)(=O)=O ZINC000040881456 HG Annotated Anodyne Cc1ccc(Nc2cc(-c3ccc4c(c3)OCCO4)ncn2)cc1NS(C)(=O)=O ZINC000040891504 HG Annotated Anodyne CC(=O)c1c(N2CCN(C)CC2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000040891923 HG Annotated Anodyne CNCCCCCCCCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040895112 HG Annotated Bother CCN1C2=C(C(=O)OC2)[C@@](C)(c2cc(OC)cc(OC)c2)c2cc3c(cc21)OCO3 ZINC000040898456 HG Annotated Anodyne C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000040898467 HG Annotated Anodyne COc1ccccc1Cn1c(=O)n(-c2cccc(C#N)c2)c2nc(NC3CC3)ncc21 ZINC000040914387 HG Annotated Mild CCN(CC)Cc1cn2c3c(cccc13)[C@@H]1Cc3ccccc3N1C1=C2C(=O)NC1=O ZINC000040914576 HG Annotated Anodyne CCN(CC)Cc1cn2c3c(cccc13)[C@H]1Cc3ccccc3N1C1=C2C(=O)NC1=O ZINC000040914578 HG Annotated Anodyne CN1C(=O)/C(=N\NC(=S)Nc2ccc(F)cc2)c2cc(OC(F)(F)F)ccc21 ZINC000040915751 HG Annotated Mild CC(=O)c1cc(OCc2ccc(F)c(F)c2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040916127 HG Annotated Anodyne O=C([C@@H]1CCc2c(Cl)cc(OCc3ccc(F)c(F)c3)c(=O)n21)N1CCCC1 ZINC000040916193 HG Annotated Anodyne C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@H]1c1ccccc1 ZINC000040916485 HG Annotated Anodyne C[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040916487 HG Annotated Anodyne C[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040916489 HG Annotated Anodyne Cc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Br)cc1)C(=O)N2C ZINC000040916657 HG Annotated Mild CC(=O)c1cc(OCc2ccc(Cl)cc2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040916688 HG Annotated Anodyne Cc1ccc2c(c1)/C(=N/NC(=S)Nc1cccc(Br)c1)C(=O)N2C ZINC000040918396 HG Annotated Mild CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccccc3)nn2)O1 ZINC000040933041 HG Annotated Mild COc1cc(CCNC[C@@H]2C(=O)O[C@H]3[C@H]2CC/C(C)=C\CC[C@@]2(C)O[C@@H]32)ccc1O ZINC000040933457 HG Annotated Anodyne CN(C)Cc1cc(CNS(C)(=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1 ZINC000040933527 HG Annotated Anodyne COc1cc(C2=C(O)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000040933681 HG Annotated Mild CC(=O)c1cccc(-c2nc(C)c(C(=O)N(CC(=O)O)Cc3ccccn3)s2)c1 ZINC000040933954 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040933983 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)[S@@](=O)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040933984 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040933985 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)[S@](=O)C[C@@H](OCc1ccc(OCc3ccccc3)cc1)C2 ZINC000040933986 HG Annotated Bother CC(=O)c1cc(OCc2cc(F)cc(F)c2)c(=O)n2c1CC[C@H]2C(=O)N1CCCC1 ZINC000040934230 HG Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccccn3)nn2)O1 ZINC000040935239 HG Annotated Mild C=C(C(=O)OC)[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 ZINC000040935793 HG Annotated Mild COc1ccc(C#Cc2cn([C@H](C)C[C@@H]3CC[C@H]([C@@H](C)C(=O)NC(C)C)O3)nn2)cc1 ZINC000040936306 HG Annotated Mild COCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1 ZINC000040936806 HG Annotated Mild O=C(O)c1ccccc1C(=O)NCCOC(=S)Nc1c(F)c(F)cc(F)c1F ZINC000040943454 HG Annotated Anodyne CC[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)OC ZINC000040951338 HG Annotated Anodyne CC[C@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccsc1C(=O)OC ZINC000040951341 HG Annotated Anodyne Cn1c2cc(N3CCN(c4ccccc4)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000040952033 HG Annotated Bother C/C=C/n1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000040952552 HG Annotated Anodyne CCOC(=O)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 ZINC000040954664 HG Annotated Anodyne CC(C)CS(=O)(=O)c1cc(CCc2ccccc2)nc(S(=O)(=O)CC(C)C)n1 ZINC000040954834 HG Annotated Anodyne C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000040955254 HG Annotated Anodyne O=C(Cn1cc(-c2nc(Cc3ccccc3)no2)c2ccccc21)N1CCOCC1 ZINC000040955622 HG Annotated Anodyne C=C1C(=O)[C@@]23C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]4(C)C2=CC(=O)[C@@H]1C3 ZINC000040974537 HG Annotated Mild C=C1C(=O)[C@@]23C[C@H](OC(C)=O)[C@@H]4C(C)(C)CC[C@H](OC(C)=O)[C@@]4(C)C2=C[C@@H](O)[C@@H]1C3 ZINC000040974797 HG Annotated Mild Cc1cccc(C)c1CNc1cc(-n2cc(C(N)=O)ccc2=O)cn2c(C)c(C)nc12 ZINC000040975875 HG Annotated Anodyne CO[C@@H](OCc1ccc(C=O)o1)c1ccc(CO[C@@H](OC)c2ccc(CO)o2)o1 ZINC000040977134 HG Annotated Anodyne CO[C@@H](OCc1ccc([C@@H](OC)OCc2ccc(C=O)o2)o1)c1ccc(CO)o1 ZINC000040977136 HG Annotated Anodyne CO[C@H](OCc1ccc([C@H](OC)OCc2ccc(C=O)o2)o1)c1ccc(CO)o1 ZINC000040977138 HG Annotated Anodyne CO[C@@H](OCc1ccc([C@H](OC)OCc2ccc(C=O)o2)o1)c1ccc(CO)o1 ZINC000040977140 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040979860 HG Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040979864 HG Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(C(=O)CN2CCN(C)CC2)[C@@H]1c1ccccc1 ZINC000040979866 HG Annotated Anodyne CCOC(=O)[C@@](O)(c1c[nH]c2ccc(I)cc12)C(F)(F)F ZINC000040980826 HG Annotated Anodyne CCOC(=O)[C@](O)(c1c[nH]c2ccc(I)cc12)C(F)(F)F ZINC000040980828 HG Annotated Anodyne C=C1C[C@@H]2O[C@H]3[C@H]4[C@@H](CC[C@@](C)(OC(C)=O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000042877582 HG Annotated Reactive C=C1C[C@@H]2O[C@H]3[C@H]4[C@H](CC[C@@](C)(OC(C)=O)[C@@H]24)[C@@H](C)C(=O)O[C@@]3(C)CC[C@H]1OO ZINC000042877587 HG Annotated Reactive COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(N)=CC3=O)C2=O ZINC000042888105 HG Annotated Mild COc1ccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccc(O)cc3)s2)cc1 ZINC000042890057 HG Annotated Anodyne Nc1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2c(O)ccc3c2OCO3)c1 ZINC000042921427 HG Annotated Anodyne CN(C)CCCOc1ccc(CCNC(=O)c2cccn2C)cc1Br ZINC000042921448 HG Annotated Anodyne O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2c(=O)n(C(CO)CO)ccc12 ZINC000042989827 HG Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(/C=C/c3ccccc3)ccc21 ZINC000043011375 HG Annotated Anodyne COCCOc1ccc(-c2c(N)c(C(=O)c3ccc(F)cc3F)cc[n+]2[O-])c(C)c1 ZINC000043012776 HG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1ccc(F)cc1F ZINC000043013679 HG Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000043015002 HG Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000043015006 HG Annotated Anodyne Ic1cnn2c1nnc1ccc(OCc3ccccc3)cc12 ZINC000043019506 HG Annotated Anodyne C[N+]1(CCCNC(=O)c2cnc3c4c(cccc24)-c2ccccc2C3=O)CCOCC1 ZINC000043020000 HG Annotated Bother COc1ccc([C@]2(O)COc3cc(O)cc(O)c3C2=O)c(OC)c1C(C)=C(C)C ZINC000043020532 HG Annotated Anodyne CCCCc1c(-c2ccc(OCCOCCOCCN)cc2)n(C)c2nccnc12 ZINC000043022328 HG Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCCCCc1ccc(I)cc1 ZINC000043022908 HG Annotated Anodyne Cc1cnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl ZINC000043024124 HG Annotated Anodyne O=C1CCN[C@@H](c2ccc(O)cc2)CCCN(C(=O)/C=C\c2ccccc2)CCCN1 ZINC000043059325 HG Annotated Anodyne Cc1ccc(C(N)=O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F ZINC000043061925 HG Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 ZINC000043065016 HG Annotated Anodyne COCCCn1c(CN2C(=O)/C(=[N+](/[O-])C(C)C)c3ccccc32)nc2ccccc21 ZINC000043071651 HG Annotated Mild COc1ccc(C2=NO[C@H](c3noc(CCC(=O)NC4CCCCC4)n3)C2)cc1F ZINC000043073929 HG Annotated Anodyne COc1ccc(C2=NO[C@@H](c3noc(CCC(=O)NC4CCCCC4)n3)C2)cc1F ZINC000043073933 HG Annotated Anodyne C=CCn1c(S)n[n+]2c(N)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c(C#N)c12 ZINC000043074994 HG Annotated Mild Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(CCS(C)(=O)=O)c1-c1cc(F)cc(F)c1 ZINC000043078205 HG Annotated Anodyne CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ccc(-c3ccncc3)nc21 ZINC000043078380 HG Annotated Anodyne COC(=O)N1CCc2c([nH]c3cc(Br)ccc23)[C@@H]1CCC[C@H](O)CO ZINC000043079157 HG Annotated Anodyne COC(=O)N1CCc2c([nH]c3cc(Br)ccc23)[C@@H]1CCC[C@@H](O)CO ZINC000043079160 HG Annotated Anodyne O=C1/C(=N/OCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCF ZINC000043119964 HG Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OCCF)c3ccccc32)nc2ccccc21 ZINC000043120487 HG Annotated Mild CCc1cc(OC)cc2nc(-c3cccnc3N3CCC[C@H](C(=O)O)C3)oc(=O)c12 ZINC000043120584 HG Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCC[C@@H](C(=O)O)C3)oc(=O)c12 ZINC000043120586 HG Annotated Anodyne CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCCOC(C)=O)c2ccccc21 ZINC000043122602 HG Annotated Mild CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC4CC4)CC3)oc(=O)c12 ZINC000043123236 HG Annotated Anodyne C[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1cccc(C(N)=O)c1O ZINC000043123434 HG Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12 ZINC000043123506 HG Annotated Anodyne Nc1nc(Cl)cc(-c2cc(OCCN3CCOCC3)c(Cl)cc2Cl)n1 ZINC000043150961 HG Annotated Anodyne CCNc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCC(C)(C)C2 ZINC000043152219 HG Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cnc(C(F)(F)F)nc3C2)CO[C@@H]1c1cc(F)c(F)cc1F ZINC000043172351 HG Annotated Anodyne Cc1cccc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)c1 ZINC000043204912 HG Annotated Mild N#CC1(c2cccc(Cl)n2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000043204915 HG Annotated Mild NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)nc3)ccc12 ZINC000043205753 HG Annotated Anodyne O=C(O)c1cc(CN2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccn2c1=O ZINC000043206761 HG Annotated Anodyne CC(C)Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1 ZINC000043206762 HG Annotated Anodyne CC(C)Cn1cc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1 ZINC000043206763 HG Annotated Anodyne COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1 ZINC000043206768 HG Annotated Anodyne COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1 ZINC000043206769 HG Annotated Anodyne O=S(=O)(CS(=O)(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043322249 HG Annotated Mild O=NN(CCCl)C(=O)NC1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000043409511 HG Annotated Reactive O=S(=O)(c1ccccc1)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 ZINC000043620419 HG Annotated Reactive CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000043727019 HG Annotated Anodyne CC(C)OC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 ZINC000043727020 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044018427 HG Annotated Reactive O=S(=O)(Cc1ccccc1)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044032218 HG Annotated Reactive O=C(O)c1ccccc1C(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000044069532 HG Annotated Reactive C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@H]2O[C@H]21 ZINC000044069660 HG Annotated Reactive C[C@H]1OO[C@@H](COC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)[C@@H]2O[C@H]12 ZINC000044069804 HG Annotated Reactive O=S(=O)(c1ccccc1)N1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 ZINC000044146020 HG Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)N1CCOCC1 ZINC000044146306 HG Annotated Reactive O=S(=O)(c1ccccc1)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000044146321 HG Annotated Reactive Cc1ccc(S(=O)(=O)N(C)NP(=O)(c2ccccc2)c2ccccc2)cc1 ZINC000044221644 HG Annotated Reactive CCCCCCCCN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000044221980 HG Annotated Mild CC[C@@]1(Cc2ccccc2)OS(=O)(=O)C=C1OS(=O)(=O)c1ccc(C)cc1 ZINC000044360731 HG Annotated Mild CC[C@]1(Cc2ccccc2)OS(=O)(=O)C=C1OS(=O)(=O)c1ccc(C)cc1 ZINC000044360737 HG Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2ccco2)C1 ZINC000004545987 HG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)c2ccco2)C1 ZINC000004545988 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2ccco2)C1 ZINC000004545989 HG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)c2ccco2)C1 ZINC000004545990 HG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000004546213 HG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000004546494 HG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000004546496 HG Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000004546498 HG Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1cc(OC)ccc1OC ZINC000004546500 HG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546641 HG Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546646 HG Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546650 HG Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546656 HG Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547025 HG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547030 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547036 HG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004547040 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000004547406 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000004547420 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004547521 HG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004547555 HG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004547564 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004547570 HG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccco2)C1 ZINC000004547573 HG Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)cc1 ZINC000004547904 HG Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)cc1 ZINC000004547909 HG Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)cc1 ZINC000004547914 HG Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccco3)C2)cc1 ZINC000004547918 HG Annotated Mild Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC000004558243 HG Annotated Anodyne Cc1ccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 ZINC000004598103 HG Annotated Anodyne Cc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 ZINC000004598104 HG Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000004612127 HG Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc3cc(OC)c(C(=O)O)c(C)c3c(O)c1C2=O ZINC000004654698 HG Annotated Clean in-vitro C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)C1 ZINC000004660419 HG Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)C1 ZINC000004660420 HG Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(N3CCN(c4ccccn4)CC3)c([N+](=O)[O-])c2)C1 ZINC000004660422 HG Annotated Anodyne CCC/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O ZINC000004669906 HG Annotated Mild CC[C@@H](C)/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004687626 HG Annotated Mild CC[C@H](C)/N=C(\O)c1c[nH]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O ZINC000004687627 HG Annotated Mild C[C@H]1CCC[C@@H](C)N1CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000004687668 HG Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000004687671 HG Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000004687678 HG Annotated Anodyne C[C@H]1CCC[C@@H](C)N1CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710446 HG Annotated Anodyne C[C@H]1CCC[C@H](C)N1CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710450 HG Annotated Anodyne C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004710454 HG Annotated Anodyne C[C@H](S[C@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 ZINC000004726566 HG Annotated Anodyne C[C@@H](S[C@H](C)C(=O)NN=Cc1ccc(F)cc1)C(=O)NN=Cc1ccc(F)cc1 ZINC000004726568 HG Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N3CCCC[C@H]3C)c3ccccc3c2=O)c1 ZINC000004731104 HG Annotated Anodyne COc1cc(OC)cc(-n2nc(C(=O)N3CCCC[C@@H]3C)c3ccccc3c2=O)c1 ZINC000004731105 HG Annotated Anodyne C[C@H](S[C@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 ZINC000004743138 HG Annotated Anodyne C[C@@H](S[C@H](C)C(=O)NN=Cc1cccc(F)c1)C(=O)NN=Cc1cccc(F)c1 ZINC000004743141 HG Annotated Anodyne COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792826 HG Annotated Anodyne COCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792829 HG Annotated Anodyne COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 ZINC000004792830 HG Annotated Anodyne COCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 ZINC000004792833 HG Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C\c2ccncc2)C3=O)C(=O)O1 ZINC000004837706 HG Annotated Mild O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000004845634 HG Annotated Bother O=C(Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000004845635 HG Annotated Bother COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)/C(=N\O)[C@H](O)C2)cc1F ZINC000004847358 HG Annotated Mild Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1 ZINC000004848249 HG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 ZINC000004858999 HG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1 ZINC000004859000 HG Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccncc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000004859001 HG Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccncc1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1 ZINC000004859002 HG Annotated Anodyne CC(=O)N1CCC(=NNC(=O)CSc2cc(C)c(Br)cc2C)CC1 ZINC000004863617 HG Annotated Reactive CCc1cccc(NC(=O)Cc2ccc(-n3c(=O)[nH]c4ccsc4c3=O)cc2)c1 ZINC000004872379 HG Annotated Anodyne CN(C)CCN(Cc1cc2cc3c(cc2nc1Cl)OCO3)C(=O)c1ccco1 ZINC000004898764 HG Annotated Anodyne CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1 ZINC000004903012 HG Annotated Anodyne O=C(Cn1c(=O)n(-c2cccc(F)c2)c(=O)c2ccccc21)NCCC1=CCCCC1 ZINC000004906111 HG Annotated Anodyne C[C@@H](CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000004907041 HG Annotated Anodyne C[C@H](CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O ZINC000004907056 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)Cn3sc4nc(C)cc(C)c4c3=O)C[C@@H]2C)c1 ZINC000004909339 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)Cn3sc4nc(C)cc(C)c4c3=O)C[C@H]2C)c1 ZINC000004909345 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000004914383 HG Annotated Anodyne CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1 ZINC000004914389 HG Annotated Anodyne O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)NC[C@H]1COc2ccccc2O1 ZINC000004920412 HG Annotated Anodyne O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)NC[C@@H]1COc2ccccc2O1 ZINC000004920414 HG Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 ZINC000004935014 HG Annotated Anodyne COc1ccc(-c2cc(CCCC(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1 ZINC000004937975 HG Annotated Anodyne C/C(=N\NC(=O)Cc1csc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000004947122 HG Annotated Reactive Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 ZINC000004947887 HG Annotated Reactive CC1CCC(NC(=O)C2CCC(CNc3c(N4CCCCC4)c(=O)c3=O)CC2)CC1 ZINC000004956417 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000004956432 HG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000004956434 HG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000004956436 HG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 ZINC000004956440 HG Annotated Anodyne COCCCNC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000004967135 HG Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cc(C)cc(C)c3)ccc21 ZINC000004971627 HG Annotated Anodyne CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(C(C)C)cc2)c1N ZINC000004971890 HG Annotated Anodyne COc1ccc(N2N=NN(C(C)C)/C2=C/c2nnnn2-c2ccc(OC)cc2)cc1 ZINC000004997011 HG Annotated Anodyne CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1ccoc1C ZINC000045186855 HG Annotated Anodyne CN1CCC(NCc2ccc(-c3ccc(S(=O)(=O)NC4CCC4)s3)cc2)CC1 ZINC000045188977 HG Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)[C@H]3CCCO3)cc2)nc1 ZINC000045190985 HG Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNC[C@@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045245325 HG Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNC[C@H]2CCc4c([nH]c5ccc(F)cc45)C2)O3)N1 ZINC000045245326 HG Annotated Anodyne CCCNCc1nc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)no1 ZINC000045245376 HG Annotated Anodyne Cn1c(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cnc1-c1ccc(C(F)(F)F)cc1 ZINC000045245574 HG Annotated Bother CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](C)(Cc3ccccc3)C2=O)cc1 ZINC000045245581 HG Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](C)(Cc3ccccc3)C2=O)cc1 ZINC000045245582 HG Annotated Anodyne COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1 ZINC000045245710 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(C(F)(F)F)cc3)no1)C2 ZINC000045245760 HG Annotated Bother Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000045246077 HG Annotated Anodyne Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000045246078 HG Annotated Anodyne Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000045253176 HG Annotated Anodyne Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 ZINC000045253177 HG Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CC)c(=O)c3)cc2n1 ZINC000045253463 HG Annotated Anodyne Cc1ncn2c1Cn1cc(CN3CCCC3=O)nc1-c1cc(Br)ccc1-2 ZINC000045254397 HG Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H](O)c1cc(O)c(OC)c(OC)c1 ZINC000045255801 HG Annotated Anodyne CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H](O)c1cc(O)c(OC)c(OC)c1 ZINC000045255804 HG Annotated Anodyne Cn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000045256403 HG Annotated Bother CCCNCc1nccn1Nc1nc(C)nc2c1c(C)nn2-c1ccc(OC)cc1C ZINC000045256410 HG Annotated Anodyne CCCNCc1nnc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)o1 ZINC000045256546 HG Annotated Anodyne CC(C)[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045256625 HG Annotated Anodyne CC(C)[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045256628 HG Annotated Anodyne Cc1nc2c(O[C@@H](C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cccc2[nH]1 ZINC000045256908 HG Annotated Anodyne Cc1nc2c(O[C@H](C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cccc2[nH]1 ZINC000045256912 HG Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNC[C@H]2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 ZINC000045257969 HG Annotated Anodyne O=C1Cc2c(ccc3c2OC[C@H](CNC[C@@H]2CCc4[nH]c5ccc(F)cc5c4C2)O3)N1 ZINC000045257974 HG Annotated Anodyne CCCNCc1noc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)n1 ZINC000045258983 HG Annotated Anodyne CC(C)NC(=N)c1ccc(-n2cc(-c3cc(C(=N)NC(C)C)ccc3O)nn2)cc1 ZINC000045259163 HG Annotated Anodyne CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccc(O)cc1)CC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000045259327 HG Annotated Anodyne CC[C@@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045260614 HG Annotated Anodyne CC[C@H]1CN(C(=O)C(=O)c2c[nH]c3cccc(F)c23)CCN1C(=O)c1ccccc1 ZINC000045260619 HG Annotated Anodyne COc1ccc(-c2nc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cs2)cc1F ZINC000045261003 HG Annotated Bother CC(C)NC(=N)c1cccc(-c2cn(-c3cc(C(=N)NC(C)C)ccc3O)nn2)c1 ZINC000045261026 HG Annotated Anodyne Nc1nc(=S)[nH]c2nn(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)c(N)c12 ZINC000045261141 HG Annotated Anodyne COc1cccc(OC)c1-c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000045283916 HG Annotated Bother CC(C)NC(=N)c1cccc(-c2cn(-c3ccc(C(=N)NC(C)C)cc3O)nn2)c1 ZINC000045284561 HG Annotated Anodyne CC(C)NC(=N)c1ccc(-n2cc(-c3ccc(C(=N)NC(C)C)cc3O)nn2)cc1 ZINC000045284571 HG Annotated Anodyne CC(C)NC(=N)c1ccc(-c2cn(-c3cc(C(=N)NC(C)C)ccc3O)nn2)cc1 ZINC000045284581 HG Annotated Anodyne COc1cc(OC)cc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c1 ZINC000045286252 HG Annotated Bother CC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045286262 HG Annotated Anodyne CC[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045286264 HG Annotated Anodyne Cc1ccc(NC(=O)c2c3c(c4n2CCC4)c(=O)nc2n3C(=O)c3ccccc3-2)cc1 ZINC000045286669 HG Annotated Anodyne CC(C)[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045288097 HG Annotated Anodyne CC(C)[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cccc(F)c12 ZINC000045288099 HG Annotated Anodyne Cc1nonc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(Br)cc1 ZINC000045289580 HG Annotated Anodyne Cc1nonc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(Br)cc1 ZINC000045289583 HG Annotated Anodyne COc1cc(OC[C@@H](O)COC(C)=O)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045289828 HG Annotated Bother COc1cc(OC[C@H](O)COC(C)=O)cc2c1c(=O)c1cc3ccccc3cc1n2C ZINC000045289831 HG Annotated Bother O=C1/C(=C/c2ccccc2N2CCNCC2)SCCN1c1ccc(F)cc1F ZINC000045298537 HG Annotated Clean CC1(C)C[C@@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)O2)c2ccccc2O1 ZINC000045298716 HG Annotated Anodyne CC1(C)C[C@]2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)O2)c2ccccc2O1 ZINC000045298718 HG Annotated Anodyne CC(C)NC(=N)c1cccc(-n2cc(-c3ccc(C(=N)NC(C)C)cc3O)nn2)c1 ZINC000045300283 HG Annotated Anodyne CCOC(=O)Nc1cn2c(-c3nccc(C)n3)cc(-c3cnc(N(C)C)nc3)cc2n1 ZINC000045300930 HG Annotated Anodyne O=C(NO[C@@H]1CCCCO1)c1ccc2nc(CCCc3ccccc3)c(=O)[nH]c2c1 ZINC000045301726 HG Annotated Anodyne O=C(NO[C@H]1CCCCO1)c1ccc2nc(CCCc3ccccc3)c(=O)[nH]c2c1 ZINC000045301728 HG Annotated Anodyne COc1c(O)cc(NC=O)c(O)c1CC[C@@H]1CCc2c(Cl)c(O)cc(O)c2C1=O ZINC000045302542 HG Annotated Anodyne COc1c(O)cc(NC=O)c(O)c1CC[C@H]1CCc2c(Cl)c(O)cc(O)c2C1=O ZINC000045302543 HG Annotated Anodyne CC(C)NC(=N)c1ccc(-c2cn(-c3ccc(C(=N)NC(C)C)cc3O)nn2)cc1 ZINC000045314790 HG Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2sccc2Cl)CC1)c1c[nH]c2cccc(F)c12 ZINC000045315804 HG Annotated Anodyne CC(C)(Cc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045317633 HG Annotated Anodyne CC(C)(Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 ZINC000045317637 HG Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc(C)c1-c1ccccc1 ZINC000045317745 HG Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc(C)c1-c1ccccc1 ZINC000045317749 HG Annotated Anodyne CC(C)NC(=N)c1cccc(-n2cc(-c3cc(C(=N)NC(C)C)ccc3O)nn2)c1 ZINC000045317752 HG Annotated Anodyne O=CC1=C(SCCC(=O)O)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 ZINC000045318188 HG Annotated Reactive Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(CCN2CCC(N)CC2)cc1 ZINC000045319310 HG Annotated Anodyne COc1cccc(-c2nc(O)c3cnn(-c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3n2)c1 ZINC000045334601 HG Annotated Bother CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc(-c2ccccc2)c1C ZINC000045334802 HG Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc(-c2ccccc2)c1C ZINC000045334804 HG Annotated Anodyne CCCc1ccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)cc1 ZINC000045335265 HG Annotated Anodyne COCCc1sc(S(=O)(=O)/N=C(\O)Nc2nc(C)c(SC)s2)cc1C ZINC000045335752 HG Annotated Mild CCc1nc(N/C(O)=N/S(=O)(=O)c2cc(C)c(CCO)s2)sc1SC ZINC000045336021 HG Annotated Mild N#Cc1c(F)c(F)c(C(C(=O)c2ccc(F)cc2)=C2NCCCN2)c(C#N)c1F ZINC000045337006 HG Annotated Mild CN(C)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)nc2)cn1 ZINC000045338531 HG Annotated Anodyne COc1ccc(C(=O)C(=C2NCCN2)c2c(Cl)c(F)c(C#N)c(F)c2C#N)cc1 ZINC000045338845 HG Annotated Mild O=C(O)c1cn(Cc2ccc(-c3cccc(CO)n3)cc2)c2c(F)cccc2c1=O ZINC000045349001 HG Annotated Anodyne N#CCCn1cnc(C[C@@H](CO)Nc2nccc(-c3cc4ccccc4s3)n2)c1 ZINC000045350177 HG Annotated Mild COc1cc(OC)c(C(=O)/C=C/c2ccccc2F)c(O)c1CN1CCOCC1 ZINC000045350842 HG Annotated Mild N#Cc1c(F)c(F)c(C(C(=O)c2ccc(Cl)cc2)=C2NCCN2)c(C#N)c1F ZINC000045352053 HG Annotated Mild Cc1cc(C)nc(N2CCN(c3ccn4c(CC(F)(F)F)cnc4c3C#N)CC2)n1 ZINC000045353835 HG Annotated Mild OCCOc1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 ZINC000045354353 HG Annotated Anodyne O=C1NC(=O)C(=Cc2cn(Cc3ccccc3Br)c3ccccc23)C(=O)N1 ZINC000045354544 HG Annotated Clean Cc1ccc2[nH]c(=O)c(C3=N[C@@H]4C=CC(Cl)=CN4[C@@H]3NC[C@@H]3CCCO3)cc2c1 ZINC000045355100 HG Annotated Anodyne Cc1ccc2[nH]c(=O)c(C3=N[C@H]4C=CC(Cl)=CN4[C@@H]3NC[C@@H]3CCCO3)cc2c1 ZINC000045355103 HG Annotated Anodyne O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1 ZINC000045355356 HG Annotated Anodyne NC1CCN(c2ccc3[nH]nc(S(=O)(=O)c4cccc5ccccc45)c3c2)CC1 ZINC000045356329 HG Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)Oc2ccccc2[C@]3(O)c2ccccc2)CC1 ZINC000045358534 HG Annotated Anodyne CN1CCN(C(=O)c2ccc3c(c2)Oc2ccccc2[C@@]3(O)c2ccccc2)CC1 ZINC000045358536 HG Annotated Anodyne Cc1ccc(N2C(=O)/C(=C\c3cc4ccccc4n3CC(=O)O)C(=O)N(C)C2=O)cc1 ZINC000045368970 HG Annotated Clean C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000045375284 HG Annotated Mild C[C@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045375286 HG Annotated Mild C[C@@H]1/C(=N/N2C(=O)CNC2=S)C[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000045375289 HG Annotated Mild O=C1CNC(=S)N1N=C1C[C@@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)C1 ZINC000045385136 HG Annotated Mild O=C1CNC(=S)N1N=C1C[C@H](c2ccc(F)cc2)N[C@@H](c2ccc(F)cc2)C1 ZINC000045385139 HG Annotated Mild O=C1CNC(=S)N1N=C1C[C@@H](c2ccc(F)cc2)N[C@H](c2ccc(F)cc2)C1 ZINC000045385143 HG Annotated Mild C(c1nnn(C23CC4CC(CC(C4)C2)C3)n1)c1nnn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000045385417 HG Annotated Anodyne COc1cc2cnc3c(c2cc1OC)Cc1c-3cc2c(c1CN1CCOCC1)OCO2 ZINC000045387438 HG Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OCc5cccnc5)ccc41)[C@@H]32 ZINC000045388511 HG Annotated Mild N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OCc5ccncc5)ccc41)[C@@H]32 ZINC000045388515 HG Annotated Mild O=S(=O)(Nc1ccc2c(c1)C([C@@H]1CCNC1)=CC2)c1c(Cl)nc2sccn12 ZINC000045389410 HG Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)C([C@H]1CCNC1)=CC2)c1c(Cl)nc2sccn12 ZINC000045389414 HG Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OCc5ccccn5)ccc41)[C@@H]32 ZINC000045390212 HG Annotated Mild Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl ZINC000045393353 HG Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000045484366 HG Annotated Bother COc1ccc(-c2cc3n(n2)CCN(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000045484471 HG Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c(-c3cc(C)c(OC)cc3C)c(C)nn12 ZINC000045484861 HG Annotated Anodyne COc1cc(OC)cc([C@H]2C3=C(CN(C(C)C)C3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000045496285 HG Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(CN(C(C)C)C3=O)Nc3cc4c(cc32)OCO4)c1 ZINC000045496287 HG Annotated Anodyne CN(C)CCNc1nc2cc(OCCN(C)C)ccc2c2c1C(=O)c1ccccc1-2 ZINC000045497569 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccn(C)c(=O)c3)cc(-c3ncccc3F)c2[nH]1 ZINC000045497682 HG Annotated Anodyne COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2cccs2)cc1OC ZINC000045497834 HG Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3ccccc3N3C(=N)[C@](Cc4ccccc4)(N4CCCC4)N1[C@@H]23 ZINC000045497868 HG Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2nccs2)CC1 ZINC000045498076 HG Annotated Anodyne O=C(Nc1ccc(Cl)nn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000045498446 HG Annotated Anodyne Cc1ccc(-c2nnc(NC(=O)[C@@H](C)NC(=O)/C=C/c3ccc(O)cc3)s2)cc1 ZINC000045498752 HG Annotated Anodyne COc1c2cc(c(O)c1OC)CCCCC(=O)[C@H](OC)Cc1cc(O)c(O)c-2c1 ZINC000045505802 HG Annotated Clean COc1c2cc(c(O)c1OC)CCCCC(=O)[C@@H](OC)Cc1cc(O)c(O)c-2c1 ZINC000045505805 HG Annotated Clean Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2nc(C(F)(F)F)cs2)c1 ZINC000045506348 HG Annotated Anodyne Cn1c2c(cc(S(=O)(=O)c3ccccc3)c1=O)CCc1c-2cnn1-c1ccccc1 ZINC000473081279 HG Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@@]12Cn1nncc1CO2 ZINC000473082822 HG Annotated Anodyne O=C1N(Cc2ccccc2)c2ccc(Br)cc2[C@]12Cn1nncc1CO2 ZINC000473082823 HG Annotated Anodyne N#Cc1cccc(CN2C(=O)N(Cc3cccc(F)c3)S(=O)(=O)n3cccc32)c1 ZINC000473084150 HG Annotated Mild O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@@]12Cn1nncc1CO2 ZINC000473086061 HG Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccccc2[C@]12Cn1nncc1CO2 ZINC000473086064 HG Annotated Anodyne COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3ccc(CCO)cc3Cl)c2c1 ZINC000473086953 HG Annotated Anodyne O=C(O)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 ZINC000473087912 HG Annotated Anodyne O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1cccc(F)c1 ZINC000473087964 HG Annotated Anodyne O=C(CCCCBr)NCC1=Cc2ccccc2O[C@]1(O)C(F)(F)F ZINC000473088052 HG Annotated Reactive O=C(CCCCBr)NCC1=Cc2ccccc2O[C@@]1(O)C(F)(F)F ZINC000473088056 HG Annotated Reactive O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)Cc1ccccc1C(F)(F)F ZINC000473089716 HG Annotated Anodyne N#Cc1cccc(OCc2ccc3c(c2)CN2C(=O)CN(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473090781 HG Annotated Mild CC(C)[C@H]1CN=C2C=C3N[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21 ZINC000473090853 HG Annotated Anodyne O=C1[C@H]2Cc3ccc(OCc4cccc(F)c4)cc3CN2C(=O)CN1C1CCCC1 ZINC000473090902 HG Annotated Anodyne COc1nn(C)cc1-c1cnc2[nH]cc(C(=O)c3cc(CCO)ccc3Cl)c2c1 ZINC000473091473 HG Annotated Anodyne C[C@H](c1nc(O)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@H]21)N1CCOCC1 ZINC000473094040 HG Annotated Anodyne C[C@@H](c1nc(O)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@H]21)N1CCOCC1 ZINC000473094041 HG Annotated Anodyne C[C@@H](c1nc(O)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@@H]21)N1CCOCC1 ZINC000473094042 HG Annotated Anodyne C[C@H](c1nc(O)c2c(n1)N(c1ccccc1)C(=S)N1CCC[C@@H]21)N1CCOCC1 ZINC000473094043 HG Annotated Anodyne N#Cc1csc(COc2ccc3c(c2)CN2C(=O)CN(C4CCCC4)C(=O)[C@H]2C3)c1 ZINC000473094051 HG Annotated Mild O=c1cc(N2CCc3[nH]nc(-c4ccncc4)c3C2)ccn1Cc1ccc(F)cc1 ZINC000473094914 HG Annotated Anodyne CC[C@H](C)C[C@@H](C)C(=O)O[C@@]1(C)C(=O)Cc2cc(O)c3c(c2C1=O)C[C@@H](O)C[C@H]3C ZINC000473106429 HG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)Cc2cc(O)c3c(c2C1=O)C[C@@H](O)C[C@H]3C ZINC000473106431 HG Annotated Anodyne CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)Cc2cc(O)c3c(c2C1=O)C[C@@H](O)C[C@H]3C ZINC000473106433 HG Annotated Anodyne CC[C@H](C)C[C@@H](C)C(=O)O[C@]1(C)C(=O)Cc2cc(O)c3c(c2C1=O)C[C@@H](O)C[C@H]3C ZINC000473106434 HG Annotated Anodyne CC(=O)Nc1ccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(O)c(=O)c(O)c2O)cc1 ZINC000473106505 HG Annotated Anodyne CN1CCN(Cc2cc(C(=O)NC3(c4ccccc4F)CCCC3)ccc2O)CC1 ZINC000473109529 HG Annotated Clean CCN1C(=O)N(CCC(C)C)C2(CCN(C(=O)c3cc(Cl)ccc3O)CC2)C1=O ZINC000473110882 HG Annotated Anodyne CN1C[C@@H](c2ccccc2)[C@@]2(N=C(c3ccccc3)OC2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000473110902 HG Annotated Anodyne C=Cc1c(CCCC)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N ZINC000473112260 HG Annotated Anodyne COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1NS(C)(=O)=O ZINC000473112276 HG Annotated Anodyne O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1 ZINC000473112971 HG Annotated Reactive O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1 ZINC000473112972 HG Annotated Reactive O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCBr)c1ccccn21 ZINC000473113368 HG Annotated Reactive CS(=O)(=O)OCCCCCCCCCCCCn1cc(CCC(=O)O)nn1 ZINC000473113711 HG Annotated Mild O=C(c1ccc(Br)cc1)c1cc(-c2nc(O)nc(O)n2)c2ccccn12 ZINC000473114349 HG Annotated Anodyne COc1ccc(/C=C2\COc3cc(OC)c(OC)c(OC)c3C2=O)cc1[N+](=O)[O-] ZINC000473119306 HG Annotated Mild O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCc1ccccc1)c1ccccn21 ZINC000473119873 HG Annotated Clean O=C(O)/C(O)=C/C(=O)c1cn(Cc2ccc3ccccc3n2)c2ccccc2c1=O ZINC000473125490 HG Annotated Mild CCC/C=C/c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N ZINC000473126187 HG Annotated Anodyne O=c1nc(-c2ccccc2)c(-c2ccccc2)nn1Cc1nnc(-c2ccncc2)o1 ZINC000473130129 HG Annotated Anodyne CCOC(=O)c1ncc(O)c2c1C(=O)N(CC(c1ccccc1)c1ccccc1)C2=O ZINC000473130945 HG Annotated Anodyne O=S(=O)(Nc1ccc(F)c(C#Cc2ccc3n[nH]cc3c2)c1F)c1cccnc1 ZINC000473131306 HG Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3[nH]ccc3c2)c1F)c1cccnc1 ZINC000473132441 HG Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]cc3c2)c1F)c1ccccc1 ZINC000473133125 HG Annotated Mild CN1CCC[C@@H](CN=c2[nH]c(Nc3cccc(-n4cc(Cl)cn4)c3)ncc2F)C1 ZINC000473133733 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](OC(C)(C)[C@H]2CC=C(C)CC2)[C@@H]1OC(C)=O ZINC000473134093 HG Annotated Anodyne CCOC(=O)/C=C/c1cc(OC)c(OC(=O)c2nc(C)c(C)nc2C)c(OC)c1 ZINC000473134304 HG Annotated Anodyne COc1cc2nc[nH]c(=Nc3cccc(Cl)c3F)c2cc1CN1CCOCC1 ZINC000473135049 HG Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)(C)[C@H]2CC=C(C)CC2)O[C@H](C)[C@H](O)[C@@H]1OC(=O)C=C(C)C ZINC000473135405 HG Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135594 HG Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135595 HG Annotated Clean CC(=O)N1CCC(c2nc(=NCc3ccc(F)cc3)[nH]cc2-c2cc(C)no2)CC1 ZINC000473135910 HG Annotated Anodyne COC(=O)c1ccc2[nH]c(=NCCCNC(=O)c3cc(Cl)cc(Cl)c3)[nH]c2c1 ZINC000473135930 HG Annotated Anodyne CC1=C(C(N)=O)[C@H](c2c[nH]c3ccccc23)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136014 HG Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2c[nH]c3ccccc23)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473136015 HG Annotated Anodyne CC(C)(O)c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1 ZINC000473136290 HG Annotated Anodyne COC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S[C@@]1(C)CSc1nc2ccccc2s1 ZINC000473145354 HG Annotated Reactive NCCCCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473146780 HG Annotated Anodyne O=C(c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1)N1CCOCC1 ZINC000473147436 HG Annotated Anodyne CN(C)CCNC(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473147453 HG Annotated Anodyne CNCCN(C)C(=O)c1cn2c(ccc3c(C(F)(F)F)cc(C(F)(F)F)nc32)n1 ZINC000473149137 HG Annotated Anodyne N[C@@H]1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)C1 ZINC000473151530 HG Annotated Anodyne N[C@H]1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)C1 ZINC000473151531 HG Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@]3(C=O)CCC[C@@]4(C)C(=O)OC)[C@@H](C)C1=CC(=O)O2 ZINC000473151836 HG Annotated Mild CCO[C@@]12C[C@H]3[C@@H](CC[C@@H]4[C@]3(C=O)CCC[C@@]4(C)C(=O)OC)[C@@H](C)C1=CC(=O)O2 ZINC000473151837 HG Annotated Mild CCO[C@@]12C[C@H]3[C@@H](CC[C@@H]4[C@]3(C(=O)O)CCC[C@@]4(C)C(=O)OC)[C@@H](C)C1=CC(=O)O2 ZINC000473153294 HG Annotated Anodyne CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@]3(C(=O)O)CCC[C@@]4(C)C(=O)OC)[C@@H](C)C1=CC(=O)O2 ZINC000473153295 HG Annotated Anodyne CN1CCN(CCO[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 ZINC000473153328 HG Annotated Bother CN1CCN(CCO[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)CC1 ZINC000473153329 HG Annotated Bother COCCNC(=O)c1sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c2c1C ZINC000473154358 HG Annotated Anodyne COc1cc(C[C@H](C(=O)O)c2nn[nH]n2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000473154699 HG Annotated Anodyne COc1cc(C[C@@H](C(=O)O)c2nn[nH]n2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000473154700 HG Annotated Anodyne O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@H](OCCN1CCOCC1)C2 ZINC000473154745 HG Annotated Bother O=Cc1cn2c3c1ccc1c4ccccc4n(c13)C[C@@H](OCCN1CCOCC1)C2 ZINC000473154746 HG Annotated Bother C[C@]1(C(=O)N2CCOCC2)CCC[C@@]2(C)[C@H](CCc3ccoc3)[C@](O)(CO)CC[C@H]12 ZINC000473155214 HG Annotated Anodyne C[C@]1(C(=O)N2CCOCC2)CCC[C@]2(C)[C@@H]1CC[C@](O)(CO)[C@H]2CCc1ccoc1 ZINC000473155215 HG Annotated Anodyne CCOc1ccccc1NC(=O)c1c(NCCO)cc(-c2cccs2)oc1=O ZINC000473155238 HG Annotated Anodyne Cc1ccc(-c2ncco2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)n1 ZINC000473162603 HG Annotated Anodyne Cc1cc(-c2ccc(C)nc2C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ncc(F)cn2)C3)on1 ZINC000473162650 HG Annotated Anodyne COc1nc(-c2ccc(F)c(C(C)(C)O)c2)nc(=NCCc2ccc(F)cc2)[nH]1 ZINC000473162939 HG Annotated Anodyne CCN1C(=O)CN(C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)Cc2ccccc21 ZINC000473167124 HG Annotated Anodyne Cc1cc(C)nc(N[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2nc(C)ccc2-c2ncccn2)n1 ZINC000473170688 HG Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc3ccccc3[nH]1)C2 ZINC000473170725 HG Annotated Anodyne Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)F)n1 ZINC000473172848 HG Annotated Anodyne CCOc1ccc(C)nc1C(=O)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 ZINC000473179524 HG Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473179592 HG Annotated Anodyne O=C(c1cncc2ccccc12)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 ZINC000473179604 HG Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1 ZINC000473179775 HG Annotated Mild Cc1ccc(-n2cccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180277 HG Annotated Anodyne Cc1ccc(-n2ccc(C)n2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180308 HG Annotated Anodyne Cc1ccc(-c2nc(C)no2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180455 HG Annotated Anodyne Cc1ccc(-c2ncccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccc(F)cn2)C3)n1 ZINC000473180502 HG Annotated Anodyne N#Cc1ncc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N)CC4)c3c2)cn1 ZINC000473194429 HG Annotated Mild CC(C)C[C@@H]1C(=O)[C@H]([C@H](c2ccccc2)[C@@H](O)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197837 HG Annotated Anodyne CC(C)C[C@@H]1C(=O)[C@H]([C@H](c2ccccc2)[C@H](O)C(=O)O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473197839 HG Annotated Anodyne CC(C)C[C@@H]1C(=O)[C@H]([C@H](c2ccccc2)[C@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197840 HG Annotated Anodyne CC(C)C[C@@H]1C(=O)[C@H]([C@H](c2ccccc2)[C@@H](O)C(=O)O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473197841 HG Annotated Anodyne Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCc2cc(C(N)=O)sc2-3)no1 ZINC000473227515 HG Annotated Mild Cc1cc(-c2n[nH]c3cc(N[C@H]4N[C@@H](c5ccccc5)CN(C)O4)ncc23)ccn1 ZINC000473233282 HG Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@@H](c5ccccc5)CN(C)O4)ncc23)ccn1 ZINC000473233286 HG Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@H]4N[C@H](c5ccccc5)CN(C)O4)ncc23)ccn1 ZINC000473233288 HG Annotated Anodyne Cc1cc(-c2n[nH]c3cc(N[C@@H]4N[C@H](c5ccccc5)CN(C)O4)ncc23)ccn1 ZINC000473233289 HG Annotated Anodyne C[C@@H]1[C@H]2c3cc(N4CCOCC4)ccc3C[C@@H](c3ccc(N4CCOCC4)cc32)N1C ZINC000473244347 HG Annotated Clean CCCC(=O)C1=C(O)CC(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O ZINC000473244999 HG Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)no1 ZINC000473245110 HG Annotated Mild CCCC(=O)C1=C(O)[C@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O ZINC000473245140 HG Annotated Mild CCCC(=O)C1=C(O)[C@@H](C)C(O)=C(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)C1=O ZINC000473245142 HG Annotated Mild CCCc1cc(=O)n2[nH]c(=N[C@@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473247496 HG Annotated Mild CCCc1cc(=O)n2[nH]c(=N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473247497 HG Annotated Mild CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1cccs1)CC(=O)C[C@H]2c1cccs1 ZINC000473247770 HG Annotated Anodyne C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@@H](OC(=O)CN(CC)CC)[C@H]12 ZINC000473247908 HG Annotated Mild CC(=O)Nc1c(C(=O)Nc2ccc(Br)cn2)cnn1-c1ccccc1 ZINC000473248219 HG Annotated Anodyne Cc1ccc([C@@H]2CC(=O)C[C@H](c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)cc1 ZINC000473248658 HG Annotated Anodyne CCCCc1cc(=O)n2[nH]c(=NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 ZINC000473249085 HG Annotated Mild CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(C)cc1 ZINC000474602040 HG Annotated Anodyne C=CC(=O)Nc1ccccc1Nc1nc(NC2CCOCC2)ncc1C(F)(F)F ZINC000474603541 HG Annotated Anodyne COc1ccc(CS(=O)(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1[N+](=O)[O-] ZINC000048720839 HG Annotated Bother N#Cc1ccc(-c2ccc(S(=O)(=O)Cc3ccc4c(c3)CCNCC4)cn2)cc1 ZINC000048999030 HG Annotated Mild C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccccc4)nc3n2)C[C@@H](C)O1 ZINC000049013662 HG Annotated Anodyne N#Cc1c(Cl)n([C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049020886 HG Annotated Mild Cc1cccc(C)c1CNc1nc(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12 ZINC000049034248 HG Annotated Anodyne COC(=O)c1nc(Sc2ccc(C(C)(C)C)cc2)n(COCCOC(C)=O)n1 ZINC000049034495 HG Annotated Anodyne C[C@@H]1N(S(=O)(=O)c2ccc(C(F)(F)F)nc2)[C@H](C2CC2)c2cn[nH]c2C1(F)F ZINC000049034735 HG Annotated Anodyne CCCc1n[nH]c2c(=O)n(NC(=O)c3ccccc3)c(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000049035137 HG Annotated Bother CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2cc(OC)ccc2n2nnnc12 ZINC000049053988 HG Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2cc(OC)ccc2n2nnnc12 ZINC000049053991 HG Annotated Anodyne O=C1CSC(N2N=C(O)C[C@]3(CC4c5ccccc5C3c3ccccc34)C2=O)=N1 ZINC000049054995 HG Annotated Anodyne O=C1CSC(N2N=C(O)C[C@@]3(CC4c5ccccc5C3c3ccccc34)C2=O)=N1 ZINC000049054998 HG Annotated Anodyne O=C([C@H]1C[C@H](Oc2cccc(F)c2)CN1CC1CC1)N1CCCN(C2CCC2)CC1 ZINC000049067055 HG Annotated Anodyne CCN(CC)C(=O)/C(NC(=O)c1ccccc1)=C(/Br)c1snnc1C ZINC000049067928 HG Annotated Anodyne CN(C)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@@H]4O)cc2)cn1 ZINC000049068397 HG Annotated Anodyne CN(C)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4c3CCC[C@H]4O)cc2)cn1 ZINC000049068399 HG Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1O)C[C@H](C)[C@@](C)(O)C2 ZINC000049071625 HG Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(CO)C3)cc3c(nc(C)n3C)c2O1 ZINC000049089070 HG Annotated Anodyne CCN(CC)C[C@]1(CN2CCCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089255 HG Annotated Anodyne CCN(CC)C[C@@]1(CN2CCCCC2)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049089256 HG Annotated Anodyne O[C@@H]1CO[C@H](n2c(Cc3ccccc3S)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000049089296 HG Annotated Anodyne O[C@@H]1CO[C@@H](n2c(Cc3ccccc3S)nc3cc(Cl)c(Cl)cc32)[C@@H]1O ZINC000049089297 HG Annotated Anodyne Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(C)(O)C3)cc3c(nc(C)n3C)c2O1 ZINC000049089366 HG Annotated Anodyne CCOCCn1nc(CC)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c21 ZINC000049109346 HG Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=S)n2Cc2ccc(OCC)c(OCC)c2)C1 ZINC000049111318 HG Annotated Anodyne Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(N3[C@H]4CC[C@@H]3COC4)ccnc21 ZINC000049112215 HG Annotated Mild COC(=O)NCc1cc(-c2sc(-c3ccccc3)nc2N2CCC(O)CC2)[nH]n1 ZINC000049112450 HG Annotated Anodyne O=C1c2[nH]ncc2[C@@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C12CC2 ZINC000049112628 HG Annotated Anodyne O=C1c2[nH]ncc2[C@H](C2CC2)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C12CC2 ZINC000049112629 HG Annotated Anodyne CCOCCn1nc(C)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21 ZINC000049112676 HG Annotated Anodyne CN(C)c1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4sccc43)nc2)cn1 ZINC000049112797 HG Annotated Anodyne Cc1cc(=O)c2c(O)cc3c(c2o1)[C@@H]1C[C@H](O3)N(C)C[C@H]1OC(=O)c1ccccc1 ZINC000049114618 HG Annotated Anodyne CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2ccc(OC)cc2n2nnnc12 ZINC000049116102 HG Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2ccc(OC)cc2n2nnnc12 ZINC000049116106 HG Annotated Anodyne Nc1n[nH]c2nc3scc(-c4cc(Cl)cc(Br)c4O)n3c(=O)c12 ZINC000049124632 HG Annotated Anodyne CCOP(=O)(OCC)[C@H](OC(C)=O)c1cc2cccc(OC)c2n2nnnc12 ZINC000049525611 HG Annotated Anodyne CCOP(=O)(OCC)[C@@H](OC(C)=O)c1cc2cccc(OC)c2n2nnnc12 ZINC000049525612 HG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H](O[N+](=O)[O-])[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049582981 HG Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H](O[N+](=O)[O-])[C@H]4C/C(=N/OCCN)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049582983 HG Annotated Mild CC(C)(N)CNC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049679224 HG Annotated Reactive CC(C)(CN)CNC(=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049694484 HG Annotated Reactive CC(C)(N)CNC(=O)OCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049695412 HG Annotated Reactive CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)NCCO ZINC000049722991 HG Annotated Mild O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCC(O)CC1 ZINC000049723033 HG Annotated Reactive NC1CCN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000049723130 HG Annotated Reactive O=C(NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCOCC1 ZINC000049756958 HG Annotated Reactive NC1(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCCC1 ZINC000049757082 HG Annotated Reactive O=C(CNCC1CC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049771205 HG Annotated Reactive CC(=N\NC(=O)c1oc2ccccc2c1C)/C(=N/Nc1ccc([N+](=O)[O-])cc1)NO ZINC000049774882 HG Annotated Reactive CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000049781494 HG Annotated Anodyne CNC(=O)NC(=O)[C@H](CC1CCCC1)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000049781495 HG Annotated Anodyne O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@@H]1OCCO ZINC000049783683 HG Annotated Anodyne O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N[C@H]1OCCO ZINC000049783684 HG Annotated Anodyne [N-]=[N+]=NC[C@H]1O[C@H](n2c(Cl)c(C=O)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O ZINC000049785960 HG Annotated Clean C[C@H]1CN(c2nc(N3CCOCC3)c3ccc(-c4ccsc4)nc3n2)C[C@@H](C)O1 ZINC000049792805 HG Annotated Anodyne CNCCCO/N=C1\CC[C@@]2(C)[C@H](C1)[C@@H](NC=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000049803107 HG Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@H](C(N)=O)[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@]34C)[C@@H]1CCC2=O ZINC000049803115 HG Annotated Mild COc1cc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)ccc1O ZINC000049803492 HG Annotated Anodyne Cc1c(C)c2c(c(Cn3nnnc3CCc3ccc(O)c(O)c3)c1O)CCC(C)(C)O2 ZINC000049803628 HG Annotated Clean Cn1cc(N)cc1C(=O)NCCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000049803762 HG Annotated Anodyne COc1ccc2c(C)cc(=O)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000049808332 HG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@H](NC=O)[C@H]4C/C(=N/O[C@@H]5CCNC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000049808353 HG Annotated Mild CC(C)Nc1nc(NC(C)C)nc(Sc2nnc3c4ccccc4n(C)c3n2)n1 ZINC000049820368 HG Annotated Anodyne CCc1[nH]c(=O)n(C(=O)c2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1 ZINC000000575242 HG Annotated Anodyne CCc1[nH]c(=O)n(C(=O)Cc2ccccc2)c1C(=O)c1ccc(-n2ccnc2C)cc1 ZINC000000575736 HG Annotated Anodyne O=C1C(N[C@@H]2Cc3cc(Br)c(O)cc3S2)=CC2=NCCc3c[nH]c1c32 ZINC000000592716 HG Annotated Mild Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Cl)c3)c(O)c(=O)c2c1 ZINC000000593266 HG Annotated Anodyne CC(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2noc(O)n2)c2ccccc21 ZINC000000594345 HG Annotated Anodyne COC(=O)N1C=CC=C([C@@H]2C(C(=O)OCC(C)C)=C(C)N=C(C)/C2=C(/O)OC)C1 ZINC000000596874 HG Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)cc1)C3=CC2=O ZINC000000606116 HG Annotated Mild O=C(CN1[C@@H](C(=O)c2ccccc2)C(=O)c2ccccc2S1(=O)=O)c1ccccc1 ZINC000000716092 HG Annotated Anodyne COc1cc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1Br ZINC000000752387 HG Annotated Reactive COc1cc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1Br ZINC000000752388 HG Annotated Reactive CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3C[C@@H](C)C[C@@H](C)C3)c2c1C ZINC000000752886 HG Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3C[C@@H](C)C[C@H](C)C3)c2c1C ZINC000000752887 HG Annotated Anodyne CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3C[C@H](C)C[C@@H](C)C3)c2c1C ZINC000000752888 HG Annotated Anodyne CCOC(=O)c1nc(N2CCC3(CC2)OCCO3)c2c3c(sc2n1)CCCC3 ZINC000000752902 HG Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763079 HG Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000763080 HG Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763145 HG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763146 HG Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763147 HG Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763148 HG Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763149 HG Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000000763150 HG Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763189 HG Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763190 HG Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763191 HG Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763192 HG Annotated Anodyne O=c1[nH]c2ccc(N(CCO)Cc3ccccc3)nc2nc1Cc1ccc(F)cc1 ZINC000000766692 HG Annotated Anodyne O=c1[nH]c2ccc(N3CCN(c4ccc(F)cc4)CC3)nc2nc1Cc1ccccc1 ZINC000000766830 HG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000000766854 HG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3nc(O)c(Cc4ccccc4)nc3n2)C1 ZINC000000766855 HG Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000000766862 HG Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(-c4ccccc4)nc3n2)C1 ZINC000000766863 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000766958 HG Annotated Bother O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000767220 HG Annotated Bother O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000000767222 HG Annotated Bother CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccccc2)C1 ZINC000000768661 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768766 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768767 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768768 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)C1 ZINC000000768769 HG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768799 HG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000768800 HG Annotated Anodyne COc1cccc(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)c1OC ZINC000000768958 HG Annotated Anodyne COc1cccc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)c1OC ZINC000000768959 HG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)c1 ZINC000000768960 HG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)c1 ZINC000000768961 HG Annotated Anodyne COc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)cc(OC)c1 ZINC000000768962 HG Annotated Anodyne COc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)cc(OC)c1 ZINC000000768963 HG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1 ZINC000000769046 HG Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769150 HG Annotated Bother CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000769152 HG Annotated Bother O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccsc1 ZINC000000769207 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@]2(C)CON=C2c2ccc(Cl)cc2)cc1OC ZINC000000769249 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(Cl)cc2)cc1OC ZINC000000769250 HG Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769567 HG Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000000769568 HG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000769604 HG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000769605 HG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000769700 HG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CCOCC2)c1 ZINC000000769701 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769854 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 ZINC000000769856 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770273 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000770275 HG Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000000770289 HG Annotated Anodyne CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000770359 HG Annotated Bother CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000770361 HG Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000000770445 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NC[C@H](O)CC ZINC000000770480 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)N1CCOCC1 ZINC000000770770 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)N1CCOCC1 ZINC000000770772 HG Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CCOCC2)cc1 ZINC000000770804 HG Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CCOCC2)cc1 ZINC000000770805 HG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000770901 HG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)N2CCOCC2)c1 ZINC000000770902 HG Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CCOCC2)c1 ZINC000000770903 HG Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)N2CCOCC2)c1 ZINC000000770904 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000770910 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000000770911 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N1CCOCC1 ZINC000000770912 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N1CCOCC1 ZINC000000770913 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771034 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000771035 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCC(C)(C)CO ZINC000000771036 HG Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCC(C)(C)CO ZINC000000771037 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1cccc(OC)c1OC ZINC000000771058 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1cccc(OC)c1OC ZINC000000771059 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771388 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771389 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771743 HG Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771744 HG Annotated Anodyne CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC ZINC000000772064 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)C1 ZINC000000772239 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)C1 ZINC000000772240 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)C1 ZINC000000772241 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)C1 ZINC000000772242 HG Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772272 HG Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CCOCC1 ZINC000000772273 HG Annotated Anodyne COc1cccc(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)c1OC ZINC000000772431 HG Annotated Anodyne COc1cccc(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)c1OC ZINC000000772432 HG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)c1 ZINC000000772433 HG Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)c1 ZINC000000772434 HG Annotated Anodyne COc1cc(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)cc(OC)c1 ZINC000000772435 HG Annotated Anodyne COc1cc(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)cc(OC)c1 ZINC000000772436 HG Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1 ZINC000000772519 HG Annotated Anodyne CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772622 HG Annotated Bother CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000772624 HG Annotated Bother O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccsc1 ZINC000000772678 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@]2(C)CON=C2c2cccc(Cl)c2)cc1OC ZINC000000772720 HG Annotated Anodyne COc1ccc(CCNC(=O)[C@@]2(C)CON=C2c2cccc(Cl)c2)cc1OC ZINC000000772721 HG Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773841 HG Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 ZINC000000773842 HG Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774429 HG Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774430 HG Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774873 HG Annotated Anodyne CCOc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774874 HG Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000775428 HG Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 ZINC000000775429 HG Annotated Anodyne O=C(NC[C@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775468 HG Annotated Anodyne O=C(NC[C@@H](O)CO)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000000775469 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775660 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC ZINC000000775661 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775700 HG Annotated Bother CC[C@@H](O)CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775701 HG Annotated Bother COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)c(OC)c1OC ZINC000000775829 HG Annotated Anodyne CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775843 HG Annotated Bother CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@H]1CCCO1)CC1(CCCCC1)O2 ZINC000000777017 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000000790520 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000000790534 HG Annotated Anodyne CCOc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1O ZINC000000816076 HG Annotated Anodyne CCOc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)N2CCOCC2)ccc1O ZINC000000816077 HG Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](/C(O)=N/CCC2=CCCCC2)C1 ZINC000005005227 HG Annotated Mild Cc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1 ZINC000005005390 HG Annotated Anodyne CCc1ccccc1/N=C(\O)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000005006360 HG Annotated Mild Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1 ZINC000005026307 HG Annotated Anodyne O=C(NCc1cccs1)[C@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000005035694 HG Annotated Anodyne O=C(NCc1cccs1)[C@@H]1CCCN(S(=O)(=O)c2cccc3cccnc23)C1 ZINC000005035695 HG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005035899 HG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2CC(=O)O[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005035900 HG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)O[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005035901 HG Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2CC(=O)O[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000005035902 HG Annotated Anodyne CCCCN(C)C(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O ZINC000005058583 HG Annotated Anodyne COc1ccc(/N=C(\C)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005061319 HG Annotated Mild COc1ccc(/N=C(\C)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005061320 HG Annotated Mild CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000005069707 HG Annotated Anodyne CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000005069711 HG Annotated Anodyne CC1(C)C[C@H](NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000005069715 HG Annotated Anodyne CC1(C)C[C@@H](NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000005069721 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071138 HG Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071147 HG Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCCCC1)O2 ZINC000005071153 HG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071306 HG Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071310 HG Annotated Anodyne Cc1nc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c2c3c(sc2n1)CCCC3 ZINC000005093597 HG Annotated Anodyne Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12 ZINC000005109098 HG Annotated Anodyne CCCNCCNc1ccc(NCCNCCC)c2c1C(=O)c1ccccc1C2=O ZINC000005114696 HG Annotated Clean CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Br ZINC000005127543 HG Annotated Anodyne Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2ccccc21 ZINC000005128417 HG Annotated Anodyne COc1ccc2c(c1)c1oc(C(=O)Nc3nn[nH]n3)c(OC)c1n2-c1ccccc1 ZINC000005141327 HG Annotated Anodyne O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCOCC1 ZINC000005145696 HG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)sc2n1 ZINC000005148943 HG Annotated Anodyne CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(N4CCOCC4)cc3)ccc21 ZINC000005160860 HG Annotated Reactive COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccco3)c2)cc1 ZINC000005163406 HG Annotated Reactive OC1CCN(C[C@@H](O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000005175999 HG Annotated Anodyne OC1CCN(C[C@H](O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000005176001 HG Annotated Anodyne COc1cc(OC)c([C@@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1OC ZINC000005441388 HG Annotated Anodyne COc1cc(OC)c([C@H]2CC(c3c(O)cc(C)oc3=O)=NCCS2)cc1OC ZINC000005441511 HG Annotated Anodyne CC(=O)OC[C@]12C(=O)C[C@H](C)[C@]3(C[C@H](c4ccoc4)OC3=O)[C@@]1(C)CCC[C@@]21CO1 ZINC000005459817 HG Annotated Anodyne CN1CCC(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000052565873 HG Annotated Anodyne O=C(Cc1ccncc1)NCCN[C@@H]1c2ccc(Cl)cc2CCc2cccnc21 ZINC000052618664 HG Annotated Anodyne O=C(Cc1ccncc1)NCCN[C@H]1c2ccc(Cl)cc2CCc2cccnc21 ZINC000052618668 HG Annotated Anodyne C[C@H]1CO[C@H]2C(CNc3ccc(F)c(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006690 HG Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(F)c(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053006691 HG Annotated Mild C[C@H]1CO[C@H]2C(CNc3ccc(F)c(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053006692 HG Annotated Mild C[C@H]1CO[C@@H]2C(CNc3ccc(F)c(Cl)c3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053006693 HG Annotated Mild CCN(CC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@@H]2[C@@H]1F)c1ccccc1 ZINC000053006869 HG Annotated Mild CCN(CC1=C(F)C=C2C(=O)C(C(=O)O)=CN(C3CC3)[C@H]2[C@@H]1F)c1ccccc1 ZINC000053006870 HG Annotated Mild Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(C)cc2)C2C(N)=NC(=S)N=C2N)cc1 ZINC000053119661 HG Annotated Anodyne Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(C)cc2)C2C(N)=NC(=S)N=C2N)cc1 ZINC000053119663 HG Annotated Anodyne NC1=NN=C(N)C1[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000053166840 HG Annotated Anodyne NC1=NN=C(N)C1[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 ZINC000053166845 HG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cc2ccc(C)cc2[nH]c1=O ZINC000053226373 HG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cc2ccc(C)cc2[nH]c1=O ZINC000053226376 HG Annotated Anodyne CN1CCN(c2cccc(CNC(=O)c3cc(C(=O)c4ccccc4F)c[nH]3)c2)CC1 ZINC000053243355 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1CCN(Cc2cc(Cl)c3cccnc3c2O)CC1 ZINC000053243468 HG Annotated Clean COc1ccc(N(CCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 ZINC000053246972 HG Annotated Anodyne CC1=CC(=O)C[C@@H]2[C@]1(C)CC[C@@H](COS(C)(=O)=O)[C@@]2(C)CCC1=CCOC1=O ZINC000053293368 HG Annotated Mild C#CCN1C(=O)[C@]2(C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)c2ccccc21 ZINC000053295184 HG Annotated Reactive O=C(O)COc1ccc(-c2csc(NCC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000053296755 HG Annotated Bother COc1ccc(N(CCCO)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 ZINC000053297647 HG Annotated Anodyne CC(=O)Oc1ccc2cc(-n3cc(-c4ccc(N(C)C)cc4)nn3)c(=O)oc2c1C ZINC000053298725 HG Annotated Anodyne N#Cc1ccc(N2C(=O)c3ccc(OC(=O)CCc4ccc(N)cc4)cc3C2=O)cc1 ZINC000053313059 HG Annotated Mild Nc1ccc(CCC(=O)Oc2ccc3c(c2)C(=O)N(c2ccc(N)cc2)C3=O)cc1 ZINC000053313804 HG Annotated Clean CC[C@H]1/C(=C/c2ccc3ccccc3c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650938 HG Annotated Anodyne CC[C@@H]1/C(=C/c2ccc3ccccc3c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O ZINC000053650940 HG Annotated Anodyne CCCCCCCCCC(=O)C/N=C/c1c(CO[PH](O)(O)O)cnc(C)c1O ZINC000053683108 HG Annotated Mild in-vivo CCc1c(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)[nH]c(C)c1C(C)=O ZINC000054852589 HG Annotated Anodyne in-vitro COc1ccc(/C(=N/Nc2nc3ccccc3n2Cc2ccccc2)C(=O)O)cc1 ZINC000005503178 HG Annotated Mild O=C(COC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)Nc1ccc(C(=O)O)cc1 ZINC000005546119 HG Annotated Bother CC/C(NCCc1c[nH]c2ccccc12)=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000005563690 HG Annotated Anodyne COC1=CC(=Cc2c(N)n3c(-c4ccccc4)csc3nc2=O)C=C(OC)C1=O ZINC000005577745 HG Annotated Mild CC(=O)Nc1cc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 ZINC000005582722 HG Annotated Reactive CC(=O)Nc1cc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)n(C)n1 ZINC000005582723 HG Annotated Reactive O=C(CNc1ccccc1[N+](=O)[O-])Nn1c(-c2ccccc2)nc2ccccc2c1=O ZINC000005593760 HG Annotated Bother N=C(N)NS(=O)(=O)c1ccc(NCCc2c3ccccc3nc3ccccc23)cc1 ZINC000005594115 HG Annotated Bother O=C1c2cccc(O)c2C(=O)c2c(OCCN(CCO)Cc3ccccc3)cccc21 ZINC000005663861 HG Annotated Clean Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccncc1 ZINC000005687646 HG Annotated Reactive N#C/C(c1nc2ccccc2[nH]1)=c1\s/c(=C/c2ccccc2)c(=O)n1-c1ccccc1 ZINC000005724309 HG Annotated Mild Cc1cc(C)c(S(=O)(=O)n2cc([C@@H](C)[C@H](N)C(=O)O)c3ccccc32)c(C)c1 ZINC000005724749 HG Annotated Anodyne Cc1cc(C)c(S(=O)(=O)n2cc([C@@H](C)[C@@H](N)C(=O)O)c3ccccc32)c(C)c1 ZINC000005724750 HG Annotated Anodyne Cc1cc(C)c(S(=O)(=O)n2cc([C@H](C)[C@H](N)C(=O)O)c3ccccc32)c(C)c1 ZINC000005724751 HG Annotated Anodyne Cc1cc(C)c(S(=O)(=O)n2cc([C@H](C)[C@@H](N)C(=O)O)c3ccccc32)c(C)c1 ZINC000005724752 HG Annotated Anodyne CO[C@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000005810354 HG Annotated Mild CO[C@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000005810357 HG Annotated Mild CO[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000005810358 HG Annotated Mild CO[C@@H]1C[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H](OC(=O)c2ccccc2)[C@@H](C)O1 ZINC000005810360 HG Annotated Mild CN1c2ccccc2N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H](CC(=O)O)c2cccn21 ZINC000005811165 HG Annotated Bother Cc1ccc(NC(=O)CCc2nnc3s/c(=C\C=C\c4ccccc4)c(=O)n23)cc1 ZINC000005813519 HG Annotated Anodyne Cc1nc2c(cc1OCc1ccccc1)C(=O)C1=C(C2=O)[C@H]2OC(=O)C[C@@H]2OC1(C)C ZINC000005822339 HG Annotated Mild Cc1nc2c(cc1OCc1ccccc1)C(=O)C1=C(C2=O)[C@H]2OC(=O)C[C@H]2OC1(C)C ZINC000005822340 HG Annotated Mild Cc1nc2c(cc1OCc1ccccc1)C(=O)C1=C(C2=O)[C@@H]2OC(=O)C[C@@H]2OC1(C)C ZINC000005822342 HG Annotated Mild Cc1nc2c(cc1OCc1ccccc1)C(=O)C1=C(C2=O)[C@@H]2OC(=O)C[C@H]2OC1(C)C ZINC000005822343 HG Annotated Mild C/C(=N\NC(=N)N)[C@@H](CN(CC(C)C)CC(C)C)C(=O)Nc1ccc(C)cc1C ZINC000005824148 HG Annotated Mild CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)N1C(=S)N(C)N=C(C)C=C1S ZINC000005828132 HG Annotated Mild CCO[C@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C ZINC000005836247 HG Annotated Reactive CCO[C@@H]1[C@@H](Br)Cn2c(=O)c3cc4ccccc4cc3c(=O)n2[C@@H]1C ZINC000005836253 HG Annotated Reactive COC(=O)[C@@H]1[C@H](O)CC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(COC(C)=O)CC(=O)c1ccoc1 ZINC000005839655 HG Annotated Anodyne Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n2ccnc12 ZINC000005846482 HG Annotated Bother COc1ccc([C@@H]2SC(N)=Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1OC ZINC000005852669 HG Annotated Anodyne C=CCN(c1cc(OCc2ccccc2)c(NC(C)=O)cc1[N+](=O)[O-])S(C)(=O)=O ZINC000005856528 HG Annotated Mild CC(=O)O[C@@H]1C[C@@H]2c3cccc4c3[C@@H](C[C@@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000005857623 HG Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2c3cccc4c3[C@@H](C[C@@H]2N(C)C1=O)CN4C(=O)c1ccccc1 ZINC000005857631 HG Annotated Anodyne C#CC[N+](C)(C)CCN1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O ZINC000005881495 HG Annotated Mild CCCc1cn2c(/C=N/N=C(N)N)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1 ZINC000005883414 HG Annotated Mild Cc1cccnc1NC(=O)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005892826 HG Annotated Anodyne Cc1ccnc(NC(=O)c2cc3c(cc2Cl)Sc2nccn2S3(=O)=O)c1 ZINC000005892861 HG Annotated Anodyne CCOC(=O)c1cc([C@]2(OC)CCN(Cc3ccccc3)C2=O)c(-c2cc(C)no2)[nH]1 ZINC000005922193 HG Annotated Anodyne CC(=O)c1c(O)cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c1O ZINC000005922776 HG Annotated Clean in-vitro biogenic Cc1c(Sc2ccccc2)n(COCCSc2ccccn2)c(=O)[nH]c1=O ZINC000005930281 HG Annotated Anodyne Cc1c(Sc2ccccn2)n(COCCSc2ccccc2)c(=O)[nH]c1=O ZINC000005930285 HG Annotated Anodyne O=[S@@]1c2c(F)c(F)c(N3CCOCC3)c(F)c2SN1Cc1ccccc1 ZINC000005934193 HG Annotated Anodyne O=[S@]1c2c(F)c(F)c(N3CCOCC3)c(F)c2SN1Cc1ccccc1 ZINC000005934195 HG Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)n1c(CCc2ccccn2)nc2ccccc21 ZINC000005940169 HG Annotated Bother CCCCCCc1cc2cc(/C(N)=N/NC(=O)c3ccncc3)c(=O)oc2cc1O ZINC000005951309 HG Annotated Reactive C=C1C[C@H](c2ccc(OCCCN3C(=O)c4ccccc4C3=O)c(OC)c2)OC1=O ZINC000005957137 HG Annotated Mild CC(C)CN(CC(O)CN(CC(C)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C ZINC000005962660 HG Annotated Anodyne COc1cc([C@H]2OC[C@H]3[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@@H]23)cc(OC)c1O ZINC000005998957 HG Annotated Anodyne in-man biogenic COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000005998959 HG Annotated Anodyne in-man O=C(c1noc2c1CCCC2)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055042650 HG Annotated Anodyne O=C(c1noc2c1CCCC2)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000055042651 HG Annotated Anodyne Cc1nn(C)cc1CN1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000055119248 HG Annotated Anodyne Cc1nn(C)cc1CN1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000055119250 HG Annotated Anodyne CCc1noc(C)c1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055225416 HG Annotated Anodyne CCc1noc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055225417 HG Annotated Anodyne CCn1c(S)nn2c(=N)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c(C#N)c12 ZINC000055671676 HG Annotated Anodyne C=CCn1c(S)nn2c(=N)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c(C#N)c12 ZINC000055683042 HG Annotated Anodyne N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccccc1 ZINC000055802612 HG Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccccc1 ZINC000055802614 HG Annotated Reactive Cc1ccc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 ZINC000055805342 HG Annotated Reactive Cc1ccc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)cc1 ZINC000055805343 HG Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1cccs1 ZINC000055805353 HG Annotated Reactive N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1cccs1 ZINC000055805354 HG Annotated Reactive O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cccc(Cl)c1 ZINC000057721341 HG Annotated Anodyne CC(C)(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCCc3ccccc32)n1 ZINC000058493980 HG Annotated Reactive CCCCNc1nc(NNC(=O)c2ccncc2)nc(N2CCCc3ccccc32)n1 ZINC000058494367 HG Annotated Reactive Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H]4CCO[C@H](CO)C4)C(C)(C)C3)nc12 ZINC000584904758 HG Annotated Anodyne CO[C@H](CC/C=C/c1cccc([C@@H](C)OC(=O)[C@@H]2CCCNN2)c1)[C@@H](C)C(=O)O ZINC000584905033 HG Annotated Anodyne Cc1cc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)CC(F)(F)C2)n2ncnc2n1 ZINC000584905419 HG Annotated Anodyne COc1cccc(CC(=N)NC(=O)c2cc(Cl)ccc2OC2CCNCC2)c1 ZINC000584905761 HG Annotated Anodyne Cc1nn(C)c(C)c1Cc1nnc(-c2cc(Cl)ccc2OC2CCNCC2)o1 ZINC000584905762 HG Annotated Anodyne CC[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCC3)n2)cc1 ZINC000058506220 HG Annotated Anodyne C[C@H](NC(=O)[C@H]1NCC[C@@H]1O)c1ccc(-c2noc(CCC3CCCCC3)n2)cc1 ZINC000058506737 HG Annotated Anodyne CC(C)CN1CCC(CN(C)C(=O)c2cn(Cc3cc(F)ccc3F)nn2)CC1 ZINC000058534263 HG Annotated Anodyne O=C1Oc2ccccc2[C@@H](O)[C@@H]1C(c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@H]1O ZINC000058537856 HG Annotated Anodyne CC(C)S(=O)(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 ZINC000058538011 HG Annotated Anodyne CN(C)/N=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C ZINC000058538415 HG Annotated Clean CCOC(=O)c1c(CS(=O)(=O)c2ccccc2)n(C)c2ccc(CN(C)C)cc12 ZINC000058541255 HG Annotated Anodyne CC(C)CN(NC(=O)Cc1c(F)cccc1F)c1nc(C#N)ncc1Br ZINC000058568838 HG Annotated Reactive CC(C)CN(NC(=O)c1cc(-c2ccccc2)ncn1)c1nc(C#N)ncc1Cl ZINC000058574890 HG Annotated Reactive CC[C@@H](CC(=O)N[C@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc21 ZINC000058581664 HG Annotated Anodyne CC(C)CN(NC(=O)c1onc2ccccc12)c1nc(C#N)ncc1Br ZINC000058581902 HG Annotated Reactive CC(C)CN(NC(=O)C1(c2ccccc2)CC1)c1nc(C#N)ncc1Br ZINC000058582605 HG Annotated Reactive COc1cc(-c2coc3cc(OC)c(OC)c(OC)c3c2=O)c(OC)c2c1OCO2 ZINC000058582668 HG Annotated Anodyne CC(C)CN(NC(=O)c1cccc2cc[nH]c12)c1nc(C#N)ncc1Br ZINC000058583754 HG Annotated Reactive CC(C)(CN1CCN(C2=Cc3ccccc3Cn3c(Cl)cnc32)CC1)C(=O)O ZINC000058584038 HG Annotated Anodyne CC(C)(CN1CCN(C2=Cc3ccccc3Cn3cc(Cl)nc32)CC1)C(=O)O ZINC000058591269 HG Annotated Anodyne Fc1ccc([C@H](c2nnnn2Cc2ccccc2)N2C[C@@H]3C[C@H]2CN3C2CCC2)cc1 ZINC000058591734 HG Annotated Anodyne CC[C@@H](CC(=O)N[C@@H](COC(C)(C)C)C(=O)OC)n1c(N)nc2cc(Cl)ccc21 ZINC000058592010 HG Annotated Anodyne C#CCOc1cc2occ(-c3cc(OC)c4c(c3OC)OCO4)c(=O)c2cc1OC ZINC000058592132 HG Annotated Mild COc1cc(/C=C2\N=C(N)N(Cc3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1 ZINC000058592312 HG Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](OC)N(CC(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000058602968 HG Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](OCC1CC1)C2 ZINC000058608674 HG Annotated Anodyne COC(=O)C1=C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 ZINC000058677918 HG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586880887 HG Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000586882320 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCOCC1 ZINC000586890961 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCOCC1 ZINC000586890966 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCOCC1 ZINC000586890968 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)N1CCOCC1 ZINC000586890971 HG Annotated Anodyne Oc1cccc([C@@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586890996 HG Annotated Anodyne Oc1cccc([C@H](O)c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586891001 HG Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586891044 HG Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586891053 HG Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892535 HG Annotated Mild CCCCCCCCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892540 HG Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892542 HG Annotated Mild CCCCCCCCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892544 HG Annotated Mild OC[C@@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586893359 HG Annotated Reactive OC[C@H](O)[C@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586893368 HG Annotated Reactive OC[C@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586893370 HG Annotated Reactive OC[C@@H](O)[C@@H](O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586893373 HG Annotated Reactive CC(C)(CO)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586900999 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586906266 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586906267 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 ZINC000586906696 HG Annotated Reactive O=C1OC(=O)c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)ccc21 ZINC000586907068 HG Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586907601 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1 ZINC000586907602 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc4c(c3)C(=O)OC4=O)nc2c1 ZINC000586907871 HG Annotated Reactive O=S(=O)(O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586908396 HG Annotated Mild O=S(=O)(O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586908397 HG Annotated Mild O=S(=O)(c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1)N1CCOCC1 ZINC000586909545 HG Annotated Anodyne Oc1ccc(C2(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CCOCC2)cc1 ZINC000586912113 HG Annotated Anodyne Oc1ccc(C2(c3nc4cc(I)cnc4[nH]3)CCOCC2)cc1 ZINC000586913234 HG Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586913511 HG Annotated Anodyne CC1=C(c2ccc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3c2)NNC(=O)C1 ZINC000586914176 HG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586914213 HG Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586915662 HG Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586915669 HG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916595 HG Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 ZINC000586916596 HG Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(O)nc(O)nc4[nH]3)c(=O)oc2c1C ZINC000586917080 HG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586917318 HG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586917320 HG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586917322 HG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586917325 HG Annotated Anodyne COC(=O)c1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cn1 ZINC000586917436 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)nc12 ZINC000586918167 HG Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c[nH]c(=N)[nH]c-4n3)c(=O)oc2c1C ZINC000586918253 HG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586918575 HG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586918576 HG Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586918579 HG Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586918582 HG Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(O)nc(N)nc4[nH]3)c(=O)oc2c1C ZINC000586918679 HG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(=O)oc2c1C ZINC000586918900 HG Annotated Anodyne COC(=O)c1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2n1 ZINC000586918906 HG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(-n5cnnn5)cc4[nH]3)c(=O)oc2c1C ZINC000586918943 HG Annotated Anodyne COc1ccc2c(C)c(CCc3nc4c(S)nc(S)nc4[nH]3)c(=O)oc2c1C ZINC000586919288 HG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586919607 HG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586919613 HG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586919631 HG Annotated Bother CSc1sc(-c2nc3c(N)ncnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919761 HG Annotated Anodyne Nc1ccc(-c2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1N ZINC000586919815 HG Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586919841 HG Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586919870 HG Annotated Mild CSc1sc(-c2nc3c(O)nc(O)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919908 HG Annotated Anodyne N#Cc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1C(F)(F)F ZINC000586919911 HG Annotated Mild CSc1sc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919925 HG Annotated Anodyne O=S(=O)(CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc2c(c1)CCC2 ZINC000586919942 HG Annotated Anodyne O=S(=O)(CCc1nc2cc(Br)cnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920001 HG Annotated Anodyne CN(C)CCOc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586920123 HG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586920185 HG Annotated Bother O=S(=O)(CCc1nc2ccc(Br)nc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920188 HG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586920198 HG Annotated Bother O=S(=O)(CCc1nc2cc(Br)ncc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920300 HG Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000586920410 HG Annotated Mild O=S(=O)(CCc1nc2c(Br)ccnc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920639 HG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586920725 HG Annotated Anodyne O=S(=O)(CCc1nc2ccnc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920729 HG Annotated Anodyne CSc1sc(-c2nc3c(O)ncnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920731 HG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586920850 HG Annotated Bother CSc1sc(-c2nc3cnnc(O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920854 HG Annotated Anodyne O=S(=O)(CCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920889 HG Annotated Anodyne O=S(=O)(CCc1nc2cncc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921000 HG Annotated Anodyne O=S(=O)(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921002 HG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586921057 HG Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cn1 ZINC000586921180 HG Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000586921333 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586921781 HG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586921846 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586921860 HG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586921957 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc12 ZINC000586922079 HG Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000586922462 HG Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1 ZINC000586922609 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)o1 ZINC000586922938 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)o1 ZINC000586922955 HG Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 ZINC000586923081 HG Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000586923194 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)o1 ZINC000586923282 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)o1 ZINC000586923555 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)o1 ZINC000586923572 HG Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)o1 ZINC000586923709 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)o1 ZINC000586923711 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)o1 ZINC000586923781 HG Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)o1 ZINC000586923878 HG Annotated Anodyne O=S(=O)(/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000586923949 HG Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccccc1 ZINC000586923950 HG Annotated Anodyne O=S(=O)(/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1 ZINC000586924098 HG Annotated Anodyne O=S(=O)(/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccccc1 ZINC000586924099 HG Annotated Anodyne O=S(=O)(/C=C\c1nc2cc(I)cnc2[nH]1)c1ccccc1 ZINC000586924232 HG Annotated Anodyne O=S(=O)(/C=C/c1nc2cc(I)cnc2[nH]1)c1ccccc1 ZINC000586924233 HG Annotated Anodyne COc1cc(Cc2nc3c(C)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924280 HG Annotated Unstable COc1cc(Cc2nc3ccc(F)c(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924314 HG Annotated Unstable COc1cc(Cc2nc3cncc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924317 HG Annotated Unstable COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1C ZINC000586924322 HG Annotated Unstable COC(=O)c1ccnc2[nH]c(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)nc12 ZINC000586924333 HG Annotated Unstable COc1cc(Cc2nc3ccnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924363 HG Annotated Unstable O=S(=O)(Cc1nc2c(Br)cnc(Br)c2[nH]1)C1CCCC1 ZINC000586924427 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 ZINC000586924451 HG Annotated Anodyne COc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1F ZINC000586924753 HG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586924993 HG Annotated Bother COc1cc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925087 HG Annotated Unstable COc1cc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925129 HG Annotated Unstable COc1cc(Cc2nc3cc(F)c(F)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925130 HG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925207 HG Annotated Bother COc1cc(Cc2nc3cc(F)cc(F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925333 HG Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586925410 HG Annotated Unstable COc1cc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925445 HG Annotated Unstable COc1cc(Cc2nc3c(Cl)ccnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925471 HG Annotated Unstable COc1cc(Cc2nc3ccc(Cl)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925510 HG Annotated Unstable N=c1[nH]c2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc-2c(Cl)[nH]1 ZINC000586925550 HG Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586925561 HG Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(O)nc(S)nc3[nH]2)c1Cl ZINC000586925679 HG Annotated Unstable COc1cc(Cc2nc3cc(Cl)cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925715 HG Annotated Unstable COc1cc(Cc2nc3cc(Cl)ncc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925737 HG Annotated Unstable COc1cc(Cc2nc3ccc(C(C)=O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925764 HG Annotated Unstable COC(=O)c1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cn1 ZINC000586925782 HG Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cncnc3[nH]2)c1 ZINC000586925785 HG Annotated Unstable COC(=O)c1ccc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2n1 ZINC000586925801 HG Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(O)ncnc3[nH]2)c1 ZINC000586925843 HG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925891 HG Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc([N+](=O)[O-])c1Cl ZINC000586926000 HG Annotated Bother O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ncc[nH]c-3n2)c1 ZINC000586926061 HG Annotated Unstable COc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1OC ZINC000586926199 HG Annotated Bother CS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc([N+](=O)[O-])c1Cl ZINC000586926426 HG Annotated Bother O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnnc(O)c3[nH]2)c1 ZINC000586926746 HG Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1Cl ZINC000586926953 HG Annotated Unstable Nc1nccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926987 HG Annotated Unstable COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)c3ccc(S(C)(=O)=O)cc3)nc2c1 ZINC000586927011 HG Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586927031 HG Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cnncc3[nH]2)c1 ZINC000586927110 HG Annotated Unstable Nc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cn1 ZINC000586927114 HG Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586927218 HG Annotated Mild COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586927304 HG Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586927383 HG Annotated Unstable CC1=C(c2ccc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc3c2)NNC(=O)C1 ZINC000586927579 HG Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1Cl ZINC000586927585 HG Annotated Unstable COc1cc(OC)c2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2c1 ZINC000586927823 HG Annotated Bother O=C(O)c1cc(Br)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927914 HG Annotated Anodyne CCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1S(=O)(=O)Cl ZINC000586927915 HG Annotated Unstable O=C(O)c1cc(Br)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586927917 HG Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586927940 HG Annotated Unstable Cc1cc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc2cc1[N+](=O)[O-] ZINC000586928187 HG Annotated Bother CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928416 HG Annotated Clean CN(Cc1nc2cc(F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928488 HG Annotated Mild CN(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928537 HG Annotated Anodyne Cc1c(Br)ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928542 HG Annotated Mild CN(Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928555 HG Annotated Mild CN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928556 HG Annotated Anodyne CN(Cc1nc2ccc(Br)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928561 HG Annotated Mild COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2n1 ZINC000586928579 HG Annotated Unstable CN(Cc1nc2cc(Br)cc(F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928604 HG Annotated Mild CN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928609 HG Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928661 HG Annotated Anodyne CN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928662 HG Annotated Anodyne CN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928683 HG Annotated Mild CN(Cc1nc2cc(Br)c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928719 HG Annotated Mild CN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928731 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc12 ZINC000586928825 HG Annotated Unstable CN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928861 HG Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928877 HG Annotated Anodyne CN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928923 HG Annotated Mild CN(Cc1nc2cc(Br)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928924 HG Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928949 HG Annotated Anodyne CCOC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586928956 HG Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cn1 ZINC000586928971 HG Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c(S)nc(S)nc3[nH]2)c1Cl ZINC000586928978 HG Annotated Unstable CN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928992 HG Annotated Mild CN(Cc1nc2c(Br)ccnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928995 HG Annotated Anodyne Cc1cc(Br)cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586929009 HG Annotated Mild CN(Cc1nc2ccc(Br)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929011 HG Annotated Anodyne CN(Cc1nc2ccc(F)c(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929013 HG Annotated Mild Cc1c(Br)cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1C ZINC000586929060 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 ZINC000586929116 HG Annotated Anodyne CN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929125 HG Annotated Anodyne CN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929159 HG Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586929241 HG Annotated Anodyne Cc1cc(Br)c2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2c1 ZINC000586929255 HG Annotated Mild Cc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586929279 HG Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586929295 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586929298 HG Annotated Anodyne CN(Cc1nc2ccc(Br)c(F)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929327 HG Annotated Mild CN(Cc1nc2cc(Br)ncc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929351 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586929426 HG Annotated Bother CN(Cc1nc2cncc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929556 HG Annotated Anodyne CN(Cc1nc2cccc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929583 HG Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586929609 HG Annotated Bother Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1Cl ZINC000586929624 HG Annotated Unstable CN(Cc1nc2ccnc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929628 HG Annotated Anodyne CN(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929659 HG Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586929664 HG Annotated Anodyne Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1Cl ZINC000586929669 HG Annotated Unstable CN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929679 HG Annotated Mild CC(C)CCOc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br ZINC000586929830 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cnncc3[nH]2)c1 ZINC000586929974 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586930129 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586930174 HG Annotated Clean CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)c1 ZINC000586930182 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)o1 ZINC000586930225 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cncnc3[nH]2)c1 ZINC000586930242 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Br)cnc3[nH]2)c1 ZINC000586930299 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)o1 ZINC000586930306 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)c1 ZINC000586930534 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586930546 HG Annotated Anodyne Cc1cc(Br)c2[nH]c(COc3ccc(S(N)(=O)=O)cc3C)nc2c1 ZINC000586930610 HG Annotated Anodyne Cc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Br ZINC000586930623 HG Annotated Anodyne CCCCCOc1cc2nc(CCS(=O)(=O)N(C)C)[nH]c2cc1Br ZINC000586930718 HG Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br ZINC000586930830 HG Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586930906 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000586930953 HG Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000586931007 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccnc(Br)c3[nH]2)c1 ZINC000586931014 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cncc(Br)c3[nH]2)c1 ZINC000586931089 HG Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 ZINC000586931112 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Br)nc3[nH]2)c1 ZINC000586931159 HG Annotated Anodyne Cc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586931339 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586931391 HG Annotated Mild CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586931431 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586931435 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586931570 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586931602 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)o1 ZINC000586931848 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586931878 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cccc(Br)c3[nH]2)cc1 ZINC000586931894 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586932027 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586932121 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586932122 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586932142 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586932143 HG Annotated Anodyne Cc1cc(Br)c2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2c1 ZINC000586932250 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)o1 ZINC000586932255 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586932264 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586932286 HG Annotated Anodyne Cc1c(Br)ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586932299 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)C(C)C ZINC000586932596 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(Br)c(O)c2[nH]1)C(C)C ZINC000586932597 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(F)cnc(Br)c2[nH]1)C(C)C ZINC000586932826 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)C(C)C ZINC000586932827 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586933849 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586933850 HG Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586933942 HG Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586933943 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586934632 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586934633 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586934708 HG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586934710 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586934713 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586934721 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586934810 HG Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586934813 HG Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586934912 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586934914 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586935074 HG Annotated Bother CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c1 ZINC000586935226 HG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586935296 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586935303 HG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586935339 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586935340 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586935471 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586935474 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)cc(Br)cc3[nH]2)c1 ZINC000586935588 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(Br)ccc3[nH]2)c1 ZINC000586935717 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586935787 HG Annotated Bother CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586935788 HG Annotated Bother COc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 ZINC000586935867 HG Annotated Anodyne COc1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 ZINC000586935870 HG Annotated Anodyne COc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cn1 ZINC000586935946 HG Annotated Anodyne COc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cn1 ZINC000586935947 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(F)cc3[nH]2)c1 ZINC000586936046 HG Annotated Anodyne COC(=O)c1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cn1 ZINC000586936237 HG Annotated Anodyne COC(=O)c1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cn1 ZINC000586936239 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CO)cc2[nH]1 ZINC000586936440 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CO)cc2[nH]1 ZINC000586936442 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1 ZINC000586936527 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)c(F)ccc3[nH]2)c1 ZINC000586936721 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586936957 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586936959 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(F)c(Br)cc3[nH]2)c1 ZINC000586937055 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586937100 HG Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586937123 HG Annotated Mild COC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2n1 ZINC000586937146 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2n1 ZINC000586937149 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cnc2[nH]1 ZINC000586937157 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(F)cnc2[nH]1 ZINC000586937160 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586937391 HG Annotated Bother C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586937443 HG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586937446 HG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586937470 HG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586937472 HG Annotated Anodyne COc1nccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937657 HG Annotated Anodyne COc1nccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586937658 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586937698 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586937700 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586938038 HG Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586938041 HG Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(O)c2[nH]1 ZINC000586938488 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccnc(O)c2[nH]1 ZINC000586938496 HG Annotated Anodyne COc1cncc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586938525 HG Annotated Anodyne COc1cncc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c12 ZINC000586938528 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Cl)ncc(Br)c3[nH]2)c1 ZINC000586938595 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586938602 HG Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000586938612 HG Annotated Anodyne COC(=O)c1cccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586938642 HG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586938645 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 ZINC000586938827 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc12 ZINC000586938829 HG Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586939157 HG Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586939159 HG Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586939188 HG Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586939189 HG Annotated Bother CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000586939235 HG Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 ZINC000586939236 HG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586939489 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586939490 HG Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586939537 HG Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586939538 HG Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(Br)c(Cl)c3[nH]2)c1 ZINC000586939670 HG Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 ZINC000586939931 HG Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 ZINC000586939932 HG Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586939993 HG Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586940002 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586940606 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586940607 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2c1 ZINC000586940675 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2c1 ZINC000586940676 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586940695 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586940696 HG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(Cl)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940722 HG Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586940726 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586940727 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586940730 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000586940731 HG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc(C)cc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940737 HG Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586940768 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586940769 HG Annotated Anodyne CCc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586940774 HG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C)cc(F)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940779 HG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cc(C)c(C)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940785 HG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940879 HG Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(C)ccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940909 HG Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586941004 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586941005 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586941032 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586941034 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)/C=C/c3ccc(C)cc3)nc2c1 ZINC000586941131 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)/C=C\c3ccc(C)cc3)nc2c1 ZINC000586941132 HG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(F)c(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941141 HG Annotated Bother CC(C)(C)c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941229 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586941285 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586941286 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586941383 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586941390 HG Annotated Anodyne CC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586941545 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586941649 HG Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586941650 HG Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cccc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941696 HG Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586941713 HG Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586941714 HG Annotated Anodyne O=S(=O)(NCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)s1 ZINC000586941732 HG Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1C ZINC000586941757 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc3cn[nH]c3cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586941799 HG Annotated Anodyne O=[N+]([O-])c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586941908 HG Annotated Bother C=CCc1cccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 ZINC000586941998 HG Annotated Mild COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1F ZINC000586942021 HG Annotated Anodyne CC(C)(C)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 ZINC000586942050 HG Annotated Anodyne CCc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1 ZINC000586942107 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942237 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586942294 HG Annotated Anodyne O=S(=O)(NCCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942337 HG Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1C ZINC000586942346 HG Annotated Anodyne O=S(=O)(NCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)s1 ZINC000586942376 HG Annotated Anodyne Cc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2c1C ZINC000586942377 HG Annotated Anodyne O=S(=O)(NCCc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942415 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586942423 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586942428 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586942439 HG Annotated Anodyne CCCCOc1cc2nc(CCCNS(=O)(=O)CC)[nH]c2cc1Br ZINC000586942494 HG Annotated Anodyne Cc1cc(C)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586942539 HG Annotated Anodyne Cc1ccc(C)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586942572 HG Annotated Anodyne O=[N+]([O-])c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942603 HG Annotated Bother O=S(=O)(NCCc1nc2cc(Cl)ncc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942616 HG Annotated Anodyne O=S(=O)(NCc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)s1 ZINC000586942651 HG Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)s1 ZINC000586942676 HG Annotated Anodyne CSc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000586942691 HG Annotated Bother Cc1c(F)ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942699 HG Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ccnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942783 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cnc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942796 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942852 HG Annotated Anodyne O=C(O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586942901 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942935 HG Annotated Anodyne O=S(=O)(NCCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586942938 HG Annotated Anodyne Cc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1F ZINC000586942958 HG Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 ZINC000586942983 HG Annotated Anodyne O=S(=O)(NCc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)s1 ZINC000586942987 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCO3)c1c(Cl)cccc1Cl ZINC000586943075 HG Annotated Anodyne O=S(=O)(NCCc1nc2cncc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943077 HG Annotated Anodyne COc1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586943101 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586943134 HG Annotated Anodyne N#Cc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1C#N ZINC000586943135 HG Annotated Mild CCS(=O)(=O)NCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586943145 HG Annotated Anodyne Cc1cc(F)c2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586943153 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943200 HG Annotated Anodyne O=S(=O)(NCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943204 HG Annotated Anodyne O=S(=O)(NCCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943206 HG Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(Cl)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943386 HG Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Cl)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943407 HG Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000586943559 HG Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586943909 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586943966 HG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586944985 HG Annotated Anodyne COc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2n1 ZINC000586945023 HG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586945057 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586945264 HG Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586945284 HG Annotated Anodyne O=C(O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945298 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000586945480 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000586945482 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586945501 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000586945502 HG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586945552 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586945604 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586945607 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586945658 HG Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586945676 HG Annotated Bother Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c(C)n1 ZINC000586945720 HG Annotated Anodyne Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c(C)n1 ZINC000586945724 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586945729 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1F ZINC000586945750 HG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586945752 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586945754 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586945790 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586945795 HG Annotated Anodyne COc1nccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945834 HG Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc2c1 ZINC000586945843 HG Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 ZINC000586945845 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586945848 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586945850 HG Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1C#N ZINC000586945866 HG Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586945872 HG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586945874 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945887 HG Annotated Anodyne O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945911 HG Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945943 HG Annotated Mild COc1cc(OC)c2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2c1 ZINC000586945944 HG Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 ZINC000586945946 HG Annotated Mild Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586946012 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586946013 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586946032 HG Annotated Anodyne O=C(O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1F ZINC000586946057 HG Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586946079 HG Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 ZINC000586946080 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586946088 HG Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946129 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946131 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000586946166 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000586946167 HG Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1OC ZINC000586946210 HG Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586946217 HG Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586946299 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586946300 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586946317 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586946340 HG Annotated Mild COC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946367 HG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946377 HG Annotated Mild O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586946451 HG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946456 HG Annotated Bother O=C(O)c1cc(F)cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946490 HG Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586946516 HG Annotated Anodyne COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cn1 ZINC000586946595 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586946683 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586946778 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586946791 HG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2c1 ZINC000586946826 HG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586946830 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000586946832 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586946878 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000586946893 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(Cl)cnc2[nH]1 ZINC000586946894 HG Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Cl)ncnc2[nH]1 ZINC000586946895 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586946907 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000586946908 HG Annotated Anodyne COc1cncc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946910 HG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586946955 HG Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586946969 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586946972 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586947151 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586947186 HG Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000586947187 HG Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586947280 HG Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947567 HG Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586947989 HG Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586948115 HG Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586948173 HG Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(N)ncc2[nH]1 ZINC000586948457 HG Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586948755 HG Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586948933 HG Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586949027 HG Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586949096 HG Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(N)ccnc2[nH]1 ZINC000586949133 HG Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586949316 HG Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccnc(N)c2[nH]1 ZINC000586949498 HG Annotated Bother CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000586949713 HG Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586949736 HG Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586949807 HG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cnccc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950072 HG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1 ZINC000586950103 HG Annotated Bother O=[N+]([O-])c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950136 HG Annotated Bother CS(=O)(=O)Nc1ccccc1Cc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586950354 HG Annotated Mild O=S(=O)(Cc1nc2ccc(CCO)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950388 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586950481 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586950485 HG Annotated Anodyne O=C(O)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950666 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586950696 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586950715 HG Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586950743 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586950797 HG Annotated Mild CS(=O)(=O)Nc1ccc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1 ZINC000586950843 HG Annotated Bother Cc1ccnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586950878 HG Annotated Anodyne N#Cc1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586950909 HG Annotated Mild Cc1cnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c1 ZINC000586950917 HG Annotated Anodyne O=C(O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586950999 HG Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586951013 HG Annotated Clean Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586951133 HG Annotated Anodyne N#Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951148 HG Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586951225 HG Annotated Bother Cc1cc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2c(C)n1 ZINC000586951229 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586951428 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586951439 HG Annotated Anodyne O=[N+]([O-])c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 ZINC000586951462 HG Annotated Bother Cc1cncc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951489 HG Annotated Anodyne Cc1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2n1 ZINC000586951526 HG Annotated Anodyne O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OCO3)Nc1ccc(N2CCCCC2)cc1 ZINC000586951537 HG Annotated Anodyne N#Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1C#N ZINC000586951546 HG Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586951547 HG Annotated Anodyne O=S(=O)(Cc1nc2cc3cn[nH]c3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951551 HG Annotated Anodyne COc1cccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951598 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586951648 HG Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cccc(O)c3[nH]2)c1 ZINC000586951650 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000586951740 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586951764 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586951771 HG Annotated Anodyne Cc1nccc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586951776 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 ZINC000586952043 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586952207 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000586952295 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 ZINC000586952297 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586952310 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586952312 HG Annotated Anodyne COC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586952353 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C#N)cc(Br)c3[nH]2)CC1 ZINC000586952400 HG Annotated Mild O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586952415 HG Annotated Anodyne O=C(O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586952451 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C#N)cc(Br)c3[nH]2)CC1 ZINC000586952457 HG Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586952476 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586952479 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586952481 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC1 ZINC000586952699 HG Annotated Mild Cc1cc(Br)c2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc2c1 ZINC000586952715 HG Annotated Anodyne N#Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1C#N ZINC000586952762 HG Annotated Mild O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586952768 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586952777 HG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586952825 HG Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586952845 HG Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586952878 HG Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586952979 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)c(O)c3[nH]2)CC1 ZINC000586952981 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586953318 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586953342 HG Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC1 ZINC000586953381 HG Annotated Mild O=[N+]([O-])c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953383 HG Annotated Bother Cc1c(Br)cnc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12 ZINC000586953417 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586953564 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586953587 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)cc3[nH]2)CC1 ZINC000586953589 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586953640 HG Annotated Anodyne Cc1nc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc2cc1Br ZINC000586953702 HG Annotated Anodyne O=C(O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586953722 HG Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586953726 HG Annotated Anodyne O=C(O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1F ZINC000586953817 HG Annotated Anodyne Cc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Br ZINC000586953830 HG Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586953839 HG Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586953970 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953977 HG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586954006 HG Annotated Mild O=C(O)c1cc(F)cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586954036 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CC2)cc1 ZINC000586954210 HG Annotated Anodyne COc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cc1OC ZINC000586954278 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc5nc(O)[nH]c5cc4[nH]3)CC2)cc1 ZINC000586954602 HG Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccnc(O)c3[nH]2)CC1 ZINC000586954680 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc([C@@H](N)N=O)cc4[nH]3)CC2)cc1 ZINC000586954725 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc([C@H](N)N=O)cc4[nH]3)CC2)cc1 ZINC000586954735 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CC2)cc1 ZINC000586954791 HG Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC2)cc1 ZINC000586954825 HG Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2N)C1 ZINC000586954904 HG Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 ZINC000586954984 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 ZINC000586955111 HG Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2N)C1 ZINC000586955137 HG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2N)C1 ZINC000586955170 HG Annotated Anodyne Nc1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc12 ZINC000586955203 HG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2N)C1 ZINC000586955210 HG Annotated Anodyne COc1cc(OC)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2c1 ZINC000586955243 HG Annotated Anodyne Nc1nccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 ZINC000586955414 HG Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2N)C1 ZINC000586955624 HG Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccnc(O)c4[nH]3)CC2)cc1 ZINC000586955850 HG Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(N)c(N)cc4[nH]3)CC2)cc1 ZINC000586955856 HG Annotated Anodyne Cc1cc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2cc1[N+](=O)[O-] ZINC000586956038 HG Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1F ZINC000586956141 HG Annotated Bother O=S(=O)(c1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1)N1CCC1 ZINC000586956150 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 ZINC000586956153 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 ZINC000586956154 HG Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(O)c2[nH]1 ZINC000586956294 HG Annotated Anodyne O=S(=O)(c1cc(-c2nc3cnncc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956318 HG Annotated Anodyne O=S(=O)(c1cc(-c2nc3ncc[nH]c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586956320 HG Annotated Anodyne O=S(=O)(c1cc(-c2nc3cncnc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956831 HG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586957561 HG Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586957562 HG Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000586957862 HG Annotated Mild Cc1cc(Br)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586957917 HG Annotated Anodyne Cc1cc(Br)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586957919 HG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000586957947 HG Annotated Mild Nc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1N ZINC000586958225 HG Annotated Anodyne Nc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1N ZINC000586958228 HG Annotated Anodyne Nc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1N ZINC000586958231 HG Annotated Anodyne Nc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1N ZINC000586958233 HG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586958294 HG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586958323 HG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C)cc3[nH]2)cc1 ZINC000586958376 HG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586958395 HG Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C[S@](=O)CC4CC4)[nH]c3c2)cc1 ZINC000586958440 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[S@@](=O)CC4CC4)[nH]c3c2)cc1 ZINC000586958441 HG Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586958641 HG Annotated Bother O=[N+]([O-])c1cnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586958642 HG Annotated Bother Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(C)c3[nH]2)cc1 ZINC000586958644 HG Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586958759 HG Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 ZINC000586958860 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 ZINC000586958864 HG Annotated Anodyne CC(C)(SCc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)O ZINC000586958926 HG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586959078 HG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586959079 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc12 ZINC000586959119 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc12 ZINC000586959122 HG Annotated Anodyne CCc1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 ZINC000586959157 HG Annotated Mild Cc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959542 HG Annotated Anodyne Cc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586959543 HG Annotated Anodyne Cc1c(Br)ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959557 HG Annotated Anodyne Cc1c(Br)ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586959558 HG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000586959999 HG Annotated Mild CC(C)(SCC(=O)O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586960003 HG Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586960150 HG Annotated Mild Cc1cc(Br)cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586960182 HG Annotated Anodyne Cc1cc(Br)cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c12 ZINC000586960183 HG Annotated Anodyne Cc1c(Br)cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1C ZINC000586960236 HG Annotated Anodyne Cc1c(Br)cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1C ZINC000586960241 HG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586960428 HG Annotated Clean C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586960431 HG Annotated Clean Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000586960461 HG Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586960545 HG Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000586960548 HG Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586960573 HG Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586960578 HG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960847 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2c1 ZINC000586960849 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586961118 HG Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586961119 HG Annotated Bother NC(=O)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961151 HG Annotated Anodyne NC(=O)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961152 HG Annotated Anodyne O=[N+]([O-])c1cncc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961288 HG Annotated Bother O=[N+]([O-])c1cncc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961290 HG Annotated Bother NC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961352 HG Annotated Anodyne NC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586961354 HG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586961411 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586961412 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586961580 HG Annotated Bother C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586961583 HG Annotated Bother COC(=O)c1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586961958 HG Annotated Anodyne COC(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2n1 ZINC000586961959 HG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586962060 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586962062 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586962632 HG Annotated Clean C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586962633 HG Annotated Clean C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(I)c2[nH]1 ZINC000586962684 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(I)c2[nH]1 ZINC000586962691 HG Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(I)cc2[nH]1 ZINC000586963049 HG Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(I)cc2[nH]1 ZINC000586963050 HG Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586963366 HG Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000586963367 HG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccnc(N)c3[nH]2)ccc1Cl ZINC000586963794 HG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(N)ccnc3[nH]2)ccc1Cl ZINC000586963957 HG Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccnc(O)c3[nH]2)ccc1Cl ZINC000586963993 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586964444 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586964671 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586964793 HG Annotated Anodyne N=c1[nH]c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc-2c(Cl)[nH]1 ZINC000586964891 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586964942 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586964996 HG Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)cc(OC)c2[nH]1 ZINC000586965416 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586965433 HG Annotated Bother CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586965466 HG Annotated Anodyne Cc1ccc(SCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)c1 ZINC000586965491 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)c(F)cc2[nH]1 ZINC000586965539 HG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(S)nc(S)nc4[nH]3)n2C)cc1 ZINC000586965549 HG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4nc(Br)c[nH]c-4n3)n2C)cc1 ZINC000586965644 HG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)n2C)cc1 ZINC000586965694 HG Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OC)c(OC)cc2[nH]1 ZINC000586965727 HG Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)n2C)cc1 ZINC000586965815 HG Annotated Anodyne Oc1nc(S)nc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965959 HG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C)c1 ZINC000586966193 HG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1 ZINC000586966308 HG Annotated Bother O=C(O)c1cccnc1SCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586966350 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 ZINC000586966401 HG Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586966729 HG Annotated Anodyne CC1=C(c2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)NNC(=O)C1 ZINC000586966937 HG Annotated Anodyne c1cncc(-c2noc(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)n2)c1 ZINC000586966965 HG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)n1 ZINC000586967036 HG Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)c(C)c1 ZINC000586967142 HG Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)n1 ZINC000586967259 HG Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccnc3SCC(=O)O)[nH]c2c1 ZINC000586967274 HG Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3c2)CC1 ZINC000586967320 HG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c([N+](=O)[O-])c(Br)ccc2[nH]1 ZINC000586967356 HG Annotated Bother O=C(O)CSc1ncccc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 ZINC000586967496 HG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cnnc(O)c3[nH]2)c1C=O ZINC000586967566 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnncc3[nH]2)C[C@@H](C)O1 ZINC000586967754 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cnncc3[nH]2)C[C@@H](C)O1 ZINC000586967755 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cnncc3[nH]2)C[C@H](C)O1 ZINC000586967756 HG Annotated Anodyne O=C(O)c1cccnc1SCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586967757 HG Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)n1 ZINC000586967875 HG Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(O)nc(S)nc3[nH]2)cc1Cl ZINC000586968106 HG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c[nH]c(=N)[nH]c-3n2)c1C=O ZINC000586968185 HG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(O)ncnc3[nH]2)c1C=O ZINC000586968517 HG Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1Cl ZINC000586968536 HG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586968782 HG Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(N)ncnc3[nH]2)c1C=O ZINC000586968844 HG Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1Cl ZINC000586968904 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968972 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3cccc[n+]3[O-])nc2c1 ZINC000586969191 HG Annotated Anodyne [O-][n+]1ccccc1SCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586969466 HG Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2c(I)cccc2[nH]1 ZINC000586969603 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ncc[nH]c-3n2)C[C@@H](C)O1 ZINC000586969817 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ncc[nH]c-3n2)C[C@@H](C)O1 ZINC000586969820 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ncc[nH]c-3n2)C[C@H](C)O1 ZINC000586969821 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncnc3[nH]2)C[C@@H](C)O1 ZINC000586969901 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cncnc3[nH]2)C[C@@H](C)O1 ZINC000586969902 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cncnc3[nH]2)C[C@H](C)O1 ZINC000586969903 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586970045 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ccnc3[nH]2)C[C@@H](C)O1 ZINC000586970046 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(N)ccnc3[nH]2)C[C@H](C)O1 ZINC000586970047 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)ncc3[nH]2)C[C@@H](C)O1 ZINC000586970053 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)ncc3[nH]2)C[C@@H](C)O1 ZINC000586970054 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(N)ncc3[nH]2)C[C@H](C)O1 ZINC000586970055 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(N)c3[nH]2)C[C@@H](C)O1 ZINC000586970371 HG Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(N)c3[nH]2)C[C@@H](C)O1 ZINC000586970372 HG Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccnc(N)c3[nH]2)C[C@H](C)O1 ZINC000586970373 HG Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc(I)cnc2[nH]1 ZINC000586970764 HG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(I)cnc2[nH]1 ZINC000586970765 HG Annotated Reactive COC(C)(C)[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586971165 HG Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586971166 HG Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586971274 HG Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 ZINC000586971276 HG Annotated Reactive Cc1ccc(NC(=O)CSCCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586971568 HG Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586972202 HG Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586972203 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CSCc3ccccc3)NC(C)=O)nc2cc1OC ZINC000586972656 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CSCc3ccccc3)NC(C)=O)nc2cc1OC ZINC000586972657 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1OC ZINC000586973105 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2c1OC ZINC000586973106 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC ZINC000586974104 HG Annotated Mild COc1cc(Br)c([C@@H](N)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC ZINC000586974107 HG Annotated Mild COc1cc(Br)c([C@H](N)c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC ZINC000586974569 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC ZINC000586974571 HG Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586974583 HG Annotated Bother CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586974584 HG Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1OC ZINC000586974634 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1OC ZINC000586974635 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC ZINC000586974972 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC ZINC000586974973 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC ZINC000586974975 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC ZINC000586974976 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC ZINC000586975030 HG Annotated Mild COc1cc(Br)c([C@@H](N)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1OC ZINC000586975031 HG Annotated Mild NS(=O)(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586975110 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586975270 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c1 ZINC000586975271 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC ZINC000586975621 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC ZINC000586975622 HG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c12 ZINC000586975698 HG Annotated Anodyne COC(=O)c1cccc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c12 ZINC000586975699 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586975989 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](N)c3cc(OC)c(OC)cc3Br)nc2c1 ZINC000586975991 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000586976015 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000586976016 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976020 HG Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000586976023 HG Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC ZINC000586976105 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OC)c(OC)cc3[nH]2)cc1OC ZINC000586976107 HG Annotated Anodyne NS(=O)(=O)c1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586976184 HG Annotated Anodyne Cc1cc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1Br ZINC000586976346 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000586976714 HG Annotated Bother COc1cc(Br)c([C@@H](N)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000586976717 HG Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)OCO4)cc1OC ZINC000586977150 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)OCO4)cc1OC ZINC000586977151 HG Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)OCCO4)cc1OC ZINC000586977211 HG Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)OCCO4)cc1OC ZINC000586977212 HG Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1Br ZINC000586977241 HG Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1Br ZINC000586977242 HG Annotated Anodyne CCOc1cc(/C=C\c2nc3c(O)nc(O)nc3[nH]2)cc(Br)c1OC ZINC000586977284 HG Annotated Anodyne CCOc1cc(/C=C/c2nc3c(O)nc(O)nc3[nH]2)cc(Br)c1OC ZINC000586977287 HG Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1Br ZINC000586977817 HG Annotated Anodyne COc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1Br ZINC000586978254 HG Annotated Anodyne COc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1Br ZINC000586978255 HG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cnccc2[nH]1 ZINC000586978358 HG Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccnc2[nH]1 ZINC000586978366 HG Annotated Anodyne Cc1nn(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)c1Br ZINC000586979043 HG Annotated Anodyne Cc1nn(Cc2nc3c(F)cnc(Br)c3[nH]2)c(C)c1Br ZINC000586979401 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 ZINC000586979493 HG Annotated Anodyne Cc1ncc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)c1Br ZINC000586979520 HG Annotated Anodyne Cc1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979713 HG Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586979773 HG Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586979858 HG Annotated Anodyne CCOc1n[nH]c(-c2nc3c(F)cnc(Br)c3[nH]2)c1Br ZINC000586980014 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586980098 HG Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586980104 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586980131 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000586980308 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586980379 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586980381 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586980487 HG Annotated Bother Cc1cc(Br)ccc1OCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000586980581 HG Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(CCO)cc2[nH]1 ZINC000586980608 HG Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000586980837 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c12 ZINC000586981757 HG Annotated Anodyne N#Cc1nc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2nc1C#N ZINC000586983655 HG Annotated Mild N#Cc1nc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2nc1C#N ZINC000586983656 HG Annotated Mild Brc1ccc([C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983753 HG Annotated Anodyne Brc1ccc([C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)N2CCCC2)cc1 ZINC000586983755 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](N)Cc3cccc(Br)c3)nc2cc1OC ZINC000586983783 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)Cc3cccc(Br)c3)nc2cc1OC ZINC000586983784 HG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586983801 HG Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586983803 HG Annotated Bother Oc1nc(S)nc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983826 HG Annotated Anodyne Oc1nc(S)nc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983827 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1OC ZINC000586983852 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2c1OC ZINC000586983853 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983915 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983917 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983919 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983921 HG Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586984258 HG Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586984263 HG Annotated Anodyne N=c1[nH]c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)nc-2c(Cl)[nH]1 ZINC000586984267 HG Annotated Anodyne N=c1[nH]c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)nc-2c(Cl)[nH]1 ZINC000586984268 HG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586984391 HG Annotated Bother CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586984430 HG Annotated Mild CC(=O)N[C@@H](Cc1nc2cc(C#N)c(C#N)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984481 HG Annotated Mild CC(=O)N[C@H](Cc1nc2cc(C#N)c(C#N)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984483 HG Annotated Mild CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586984659 HG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586984662 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586985194 HG Annotated Bother CC(=O)N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(Br)cc1 ZINC000586985197 HG Annotated Bother CC(=O)N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586985524 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)cc1 ZINC000586985525 HG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586985630 HG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586985690 HG Annotated Bother CC(=O)N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985815 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985817 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 ZINC000586985871 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(Br)cc1 ZINC000586985874 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 ZINC000586985882 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(Br)cc1 ZINC000586985884 HG Annotated Anodyne NNC(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586986396 HG Annotated Reactive NNC(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586986399 HG Annotated Reactive CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Br)cc1 ZINC000586986409 HG Annotated Bother CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(Br)cc1 ZINC000586986411 HG Annotated Bother CC(=O)N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986430 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986432 HG Annotated Anodyne NC(=O)c1c(O)ncc2c1CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988040 HG Annotated Anodyne NC(=O)c1cc2c(nc1O)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988131 HG Annotated Anodyne O=C1c2ccccc2-c2cc(Cn3c(=O)oc(=O)c4ccccc43)nc3ccc(O)c1c23 ZINC000586988878 HG Annotated Anodyne O=C1c2ccccc2-c2c(CCNC(=O)C3CCOCC3)cnc3ccc(O)c1c23 ZINC000586988969 HG Annotated Anodyne CCOC(=O)Cc1nc2ccc(O)c3c2c(c1CC(=O)OCC)-c1ccccc1C3=O ZINC000586989191 HG Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989205 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989212 HG Annotated Anodyne CCOC(=O)[C@@](C)(OC(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989213 HG Annotated Anodyne C=C(C)C(=O)OCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989240 HG Annotated Mild CCOC(=O)CCc1nc2ccc(O)c3c2c(c1CC(=O)O)-c1ccccc1C3=O ZINC000586989380 HG Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989383 HG Annotated Anodyne CC1(C(=O)O)CC(=O)C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)C1 ZINC000586989722 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989982 HG Annotated Anodyne CCOC(=O)C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(=O)OCC ZINC000586990527 HG Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H](C(=O)O)[C@H]1C(=O)O ZINC000586990953 HG Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H](C(=O)O)[C@H]1C(=O)O ZINC000586990955 HG Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H](C(=O)O)[C@@H]1C(=O)O ZINC000586990956 HG Annotated Anodyne C[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H](C(=O)O)[C@@H]1C(=O)O ZINC000586990958 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991528 HG Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991529 HG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000586991659 HG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000586991661 HG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)[C@@H]1C(=O)O)-c1ccccc1C4=O ZINC000586991662 HG Annotated Anodyne C[C@@H]1Cc2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)[C@H]1C(=O)O)-c1ccccc1C4=O ZINC000586991663 HG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1C[C@H]3[C@H](C(=O)O)[C@H]1C(=O)O ZINC000586991860 HG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1C[C@H]3[C@@H](C(=O)O)[C@H]1C(=O)O ZINC000586991863 HG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1C[C@H]3[C@H](C(=O)O)[C@@H]1C(=O)O ZINC000586991867 HG Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]1C[C@H]3[C@@H](C(=O)O)[C@@H]1C(=O)O ZINC000586991871 HG Annotated Anodyne COC(=O)C1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC(OC)(OC)C1 ZINC000586992122 HG Annotated Anodyne NS(=O)(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586992939 HG Annotated Anodyne COC(=O)[C@@H]1c2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)OC ZINC000586993632 HG Annotated Anodyne CC1=C(c2ccc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3c2)NNC(=O)C1 ZINC000586994747 HG Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586994864 HG Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@](CC(N)=O)(C(=O)O)CCC4)-c1ccccc1C2=O ZINC000586995070 HG Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@](CC(N)=O)(C(=O)O)CCC4)-c1ccccc1C2=O ZINC000586995076 HG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586995459 HG Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586995918 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586995999 HG Annotated Anodyne O[C@H](c1ccc(Br)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586996211 HG Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1OC ZINC000586997048 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586997561 HG Annotated Anodyne N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(Br)cc1 ZINC000586997731 HG Annotated Bother COC(=O)c1cc2[nH]c(C[C@@H](N)c3ccc(Br)cc3)nc2cc1OC ZINC000586997745 HG Annotated Anodyne N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586998217 HG Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 ZINC000586998421 HG Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 ZINC000586998422 HG Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998456 HG Annotated Anodyne O=S(=O)(O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998457 HG Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586998600 HG Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 ZINC000586998601 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 ZINC000586998846 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 ZINC000586998847 HG Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3ccc(-n4cnnn4)cc3[nH]1)OCO2 ZINC000586999047 HG Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3ccc(-n4cnnn4)cc3[nH]1)OCO2 ZINC000586999048 HG Annotated Anodyne Nc1nc(O)c2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2n1 ZINC000586999293 HG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(CCO)ccc2[nH]1 ZINC000586999447 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(Cl)ccnc2[nH]1 ZINC000586999525 HG Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cn1 ZINC000586999678 HG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 ZINC000586999680 HG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586999735 HG Annotated Bother COC(=O)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000586999766 HG Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 ZINC000586999770 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cncc(Cl)c2[nH]1 ZINC000586999798 HG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000586999816 HG Annotated Bother NC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999820 HG Annotated Anodyne NC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000586999822 HG Annotated Anodyne Oc1nc(O)c2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2n1 ZINC000586999972 HG Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587000106 HG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(N)cc4[nH]3)cc2cc1Br ZINC000587000142 HG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587000144 HG Annotated Anodyne COC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000180 HG Annotated Anodyne COC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 ZINC000587000181 HG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nccc(N)c4[nH]3)cc2cc1Br ZINC000587000249 HG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587000371 HG Annotated Bother O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587000633 HG Annotated Bother CCn1cc(Br)c(Cc2nc3c(F)cnc(Br)c3[nH]2)n1 ZINC000587000668 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Cl)nc2[nH]1 ZINC000587000772 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccnc(Cl)c2[nH]1 ZINC000587000787 HG Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(N)nccc4[nH]3)cc2cc1Br ZINC000587000812 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2n1 ZINC000587000895 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587000924 HG Annotated Anodyne CC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587000949 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc12 ZINC000587000981 HG Annotated Anodyne COc1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001003 HG Annotated Anodyne Cc1cc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c(C)n1 ZINC000587001025 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Cl)ncc2[nH]1 ZINC000587001107 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587001159 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587001164 HG Annotated Anodyne N#Cc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1C#N ZINC000587001272 HG Annotated Mild Sc1nc(S)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 ZINC000587001558 HG Annotated Anodyne N=c1[nH]c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc-2c(Cl)[nH]1 ZINC000587001717 HG Annotated Anodyne N=c1[nH]c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc-2c(Cl)[nH]1 ZINC000587001725 HG Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(CCO)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001896 HG Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(CCO)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587001897 HG Annotated Anodyne O=C1C[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587001977 HG Annotated Anodyne O=C1C[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)c2c(Br)cccc2O1 ZINC000587001978 HG Annotated Anodyne O=C1COc2cc3[nH]c(CCn4ncc5cc(Br)ccc54)nc3cc2N1 ZINC000587002043 HG Annotated Anodyne NC(=O)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002048 HG Annotated Anodyne NC(=O)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587002050 HG Annotated Anodyne COC(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 ZINC000587002060 HG Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587002236 HG Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587002402 HG Annotated Anodyne COC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 ZINC000587002428 HG Annotated Anodyne COC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2n1 ZINC000587002432 HG Annotated Anodyne O=C1C[C@@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587002457 HG Annotated Bother O=C1C[C@H](Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)c2c(Br)cccc2O1 ZINC000587002458 HG Annotated Bother COC(=O)c1ccnc2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587002471 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc12 ZINC000587002472 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587002647 HG Annotated Bother COC(=O)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cn1 ZINC000587002696 HG Annotated Anodyne CS(=O)(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587002732 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587002827 HG Annotated Bother NC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002896 HG Annotated Anodyne NC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 ZINC000587002898 HG Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587002965 HG Annotated Anodyne Oc1nc(S)nc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 ZINC000587002966 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 ZINC000587003238 HG Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc3c(cc2[nH]1)OCO3 ZINC000587003262 HG Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)cc(Br)c21 ZINC000587003919 HG Annotated Reactive O=S(=O)(O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003959 HG Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cn1 ZINC000587004218 HG Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cn1 ZINC000587004220 HG Annotated Anodyne O=C1C[C@@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587004231 HG Annotated Bother O=C1C[C@H](Cc2nc3cncc([N+](=O)[O-])c3[nH]2)c2c(Br)cccc2O1 ZINC000587004232 HG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 ZINC000587004261 HG Annotated Anodyne CCCn1cnc2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc(Br)c21 ZINC000587004332 HG Annotated Mild CC(C)n1c(-c2nc3c(O)nc(N)nc3[nH]2)cc(Br)c1Br ZINC000587004999 HG Annotated Anodyne CC(C)n1c(-c2nc3nc(N)ncc3[nH]2)cc(Br)c1Br ZINC000587005011 HG Annotated Anodyne CC(C)n1c(-c2nc3c(O)nc(O)nc3[nH]2)cc(Br)c1Br ZINC000587005073 HG Annotated Anodyne Clc1cnc(Br)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 ZINC000587005186 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 ZINC000587005214 HG Annotated Anodyne CC1=C(c2ccc3nc(-c4nc(Cl)cnc4Br)[nH]c3c2)NNC(=O)C1 ZINC000587005602 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 ZINC000587005990 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1OC ZINC000587006029 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1[N+](=O)[O-] ZINC000587006085 HG Annotated Bother CC1=C(c2ccc3nc(-c4cnn5cccc(Br)c45)[nH]c3c2)NNC(=O)C1 ZINC000587006158 HG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1OC ZINC000587006359 HG Annotated Anodyne Brc1cccn2ncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c12 ZINC000587006654 HG Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cnn4cc(Br)cnc34)nc1-2 ZINC000587006687 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587006695 HG Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(O)ncnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006848 HG Annotated Anodyne Nc1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1N ZINC000587007011 HG Annotated Anodyne COC(=O)c1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1OC ZINC000587007056 HG Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnnc(O)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007399 HG Annotated Anodyne Nc1ncnc2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc12 ZINC000587007662 HG Annotated Anodyne Brc1cnc2c(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cccn12 ZINC000587007672 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 ZINC000587007726 HG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1OC ZINC000587007755 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 ZINC000587008250 HG Annotated Reactive CC1=C(c2ccc3[nH]c(-c4cccn5c(Br)cnc45)nc3c2)NNC(=O)C1 ZINC000587008791 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1[N+](=O)[O-] ZINC000587008835 HG Annotated Bother CC(C)(NC(=O)CCl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587009156 HG Annotated Reactive CCOC(=O)Cc1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587009193 HG Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587009273 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cs1 ZINC000587013913 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cs1 ZINC000587014267 HG Annotated Anodyne Cc1nc(Br)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587014398 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3nc(Br)c[nH]c-3n2)cs1 ZINC000587014447 HG Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 ZINC000587014458 HG Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587016477 HG Annotated Anodyne c1cc(Nc2nc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cs2)c2cccnc2c1 ZINC000587016963 HG Annotated Anodyne NNC(=O)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017066 HG Annotated Reactive Sc1nc(S)c2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1 ZINC000587017128 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 ZINC000587018034 HG Annotated Anodyne c1cc2c(cc1-c1nc(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)cs1)OCCO2 ZINC000587018036 HG Annotated Anodyne O=C1COc2cc3[nH]c(Cc4csc(-c5ccc6c(c5)OCCO6)n4)nc3cc2N1 ZINC000587018194 HG Annotated Anodyne N=c1[nH]c2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)nc-2c(Cl)[nH]1 ZINC000587018845 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1)c1cccs1 ZINC000587018902 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587018953 HG Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cs1 ZINC000587018988 HG Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587019082 HG Annotated Mild COC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2n1 ZINC000587019092 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019182 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019185 HG Annotated Anodyne Oc1nc(O)c2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587019279 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3nc(Br)c[nH]c-3n2)cs1 ZINC000587019424 HG Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019520 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019530 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3c(S)nc(S)nc3[nH]2)cs1)c1cccs1 ZINC000587019543 HG Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cn1 ZINC000587019625 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc12 ZINC000587019632 HG Annotated Anodyne Nc1nc(O)c2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2n1 ZINC000587019643 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3nc(Br)c[nH]c-3n2)cs1)c1cccs1 ZINC000587019824 HG Annotated Anodyne O=C1COc2cc3[nH]c(Cc4csc(NC(=O)c5cccs5)n4)nc3cc2N1 ZINC000587019844 HG Annotated Anodyne N#Cc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1C#N ZINC000587020096 HG Annotated Mild O=C(Nc1nc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020098 HG Annotated Anodyne COC(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 ZINC000587020111 HG Annotated Anodyne O=C1CCc2cc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3cc2N1 ZINC000587020122 HG Annotated Anodyne O=C(Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cs1)c1cccc(O)c1 ZINC000587020143 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cs1 ZINC000587020291 HG Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cs1 ZINC000587020322 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cs1 ZINC000587020657 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587020666 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cs1 ZINC000587020827 HG Annotated Anodyne Cn1cc(-c2ncc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)s2)cn1 ZINC000587021353 HG Annotated Anodyne C[C@H](O)c1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587021898 HG Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3c(I)cnc(Cl)c3[nH]2)s1 ZINC000587021900 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1 ZINC000587022303 HG Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(I)cnc4[nH]3)s2)cn1 ZINC000587022419 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(C#N)s3)[nH]c2c1 ZINC000587022607 HG Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023431 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)s1 ZINC000587023438 HG Annotated Anodyne O=C(CCc1nc2c(F)cnc(Cl)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023486 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 ZINC000587023587 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 ZINC000587023604 HG Annotated Anodyne CCOC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 ZINC000587023764 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)s1 ZINC000587023788 HG Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)cnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023857 HG Annotated Anodyne O=C(CCc1nc2cc(C(F)(F)F)ncc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024102 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)s1 ZINC000587024248 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)s1 ZINC000587024252 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)s1 ZINC000587024307 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)s1 ZINC000587024343 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 ZINC000587024351 HG Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)s1 ZINC000587024366 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)s1 ZINC000587024380 HG Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCCCO3)Nc1nnc(-c2ccncc2)s1 ZINC000587024386 HG Annotated Anodyne O=C(CCc1nc2cc(F)c(F)c(F)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024425 HG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSc3nnc(S)s3)nc-2[nH]1 ZINC000587024545 HG Annotated Anodyne NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024912 HG Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024914 HG Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024915 HG Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587024916 HG Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 ZINC000587024970 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 ZINC000587024971 HG Annotated Anodyne Cc1cc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2cc1[N+](=O)[O-] ZINC000587025305 HG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025950 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587026435 HG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587026436 HG Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1)C(F)(F)F ZINC000587026440 HG Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026500 HG Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026505 HG Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026507 HG Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026512 HG Annotated Anodyne O=S(=O)(c1ccc2nc(CSCc3ccsc3)[nH]c2c1)N1CCOCC1 ZINC000587026517 HG Annotated Anodyne N#Cc1nc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2nc1C#N ZINC000587027500 HG Annotated Mild N#Cc1nc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2nc1C#N ZINC000587027502 HG Annotated Mild N#Cc1nc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2nc1C#N ZINC000587027503 HG Annotated Mild N#Cc1nc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2nc1C#N ZINC000587027504 HG Annotated Mild O=C(NCc1nc2cc(Br)c(Br)cc2[nH]1)c1cscn1 ZINC000587027552 HG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587027619 HG Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587027665 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)cc1 ZINC000587028062 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)cc1 ZINC000587028063 HG Annotated Anodyne O=C(NCc1nc2c(Br)ccc(Br)c2[nH]1)c1cscn1 ZINC000587028243 HG Annotated Anodyne N[C@H](Cc1cscn1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587028482 HG Annotated Anodyne Cc1c(-c2nc3cc(S(C)(=O)=O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029576 HG Annotated Anodyne Cc1c(-c2nc3nc(Br)c[nH]c-3n2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030113 HG Annotated Anodyne Nc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030403 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2C1 ZINC000587031657 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(O)nc(S)nc3[nH]1)N2 ZINC000587032082 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(O)nc(S)nc3[nH]1)N2 ZINC000587032103 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(O)nc(S)nc3[nH]1)N2 ZINC000587032106 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(O)nc(S)nc3[nH]1)N2 ZINC000587032109 HG Annotated Anodyne NNC(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587032192 HG Annotated Reactive CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2C1 ZINC000587032445 HG Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3nc(C#N)c(C#N)nc3[nH]1)N2 ZINC000587032552 HG Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3nc(C#N)c(C#N)nc3[nH]1)N2 ZINC000587032557 HG Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3nc(C#N)c(C#N)nc3[nH]1)N2 ZINC000587032559 HG Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3nc(C#N)c(C#N)nc3[nH]1)N2 ZINC000587032561 HG Annotated Mild Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)N2 ZINC000587032583 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)N2 ZINC000587032589 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)N2 ZINC000587032590 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3[nH]c(=N)[nH]c(Cl)c-3n1)N2 ZINC000587032592 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c2C1 ZINC000587032703 HG Annotated Mild CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(O)nc(S)nc4[nH]3)c2C1 ZINC000587032932 HG Annotated Anodyne Nc1c(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587033667 HG Annotated Anodyne O=C(NCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cc2c(s1)CCC2 ZINC000587033741 HG Annotated Anodyne O=C(NCc1nc2cc(I)cnc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034211 HG Annotated Anodyne O=C(NCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1cc2c(s1)CCC2 ZINC000587034340 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1)N1CCOCC1 ZINC000587036767 HG Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1)N1CCOCC1 ZINC000587036768 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)cnc4[nH]3)cc12 ZINC000587037089 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)cnc4[nH]3)cc12 ZINC000587037092 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccnc(Br)c4[nH]3)cc12 ZINC000587037148 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccnc(Br)c4[nH]3)cc12 ZINC000587037151 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc12 ZINC000587037195 HG Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc12 ZINC000587037198 HG Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Br)nc4[nH]3)cc12 ZINC000587037517 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Br)nc4[nH]3)cc12 ZINC000587037519 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Br)ncc4[nH]3)cc12 ZINC000587037549 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Br)ncc4[nH]3)cc12 ZINC000587037550 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)OCCCO5)cc12 ZINC000587037611 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)OCCCO5)cc12 ZINC000587037612 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc12 ZINC000587037641 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cnc(C(F)(F)F)[nH]c-4n3)cc12 ZINC000587037642 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc12 ZINC000587037788 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc12 ZINC000587037793 HG Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587037938 HG Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc12 ZINC000587037941 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc12 ZINC000587037949 HG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038005 HG Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 ZINC000587038006 HG Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1=O ZINC000587038177 HG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C1=O ZINC000587038180 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1=O ZINC000587038243 HG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C1=O ZINC000587038244 HG Annotated Mild COC(=O)c1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1OC ZINC000587038446 HG Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)NNC(=O)C1 ZINC000587038581 HG Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)NNC(=O)C1 ZINC000587038582 HG Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3c2)NNC(=O)C1 ZINC000587038585 HG Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3c2)NNC(=O)C1 ZINC000587038586 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc12 ZINC000587038953 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000587038956 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(F)cc(C(=O)O)c4[nH]3)cc12 ZINC000587038957 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000587038958 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(C(=O)O)c(F)cc4[nH]3)cc12 ZINC000587038961 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(C(=O)O)c(F)cc4[nH]3)cc12 ZINC000587038963 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000587038976 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000587038977 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cncc(Br)c4[nH]3)cc12 ZINC000587038999 HG Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cncc(Br)c4[nH]3)cc12 ZINC000587039000 HG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)C1=O ZINC000587039169 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)C1=O ZINC000587039170 HG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1=O ZINC000587039176 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C1=O ZINC000587039177 HG Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)C1=O ZINC000587039190 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)C1=O ZINC000587039191 HG Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000587039384 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000587039387 HG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)C1=O ZINC000587039417 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)C1=O ZINC000587039430 HG Annotated Mild COC(=O)c1cc2nc(-c3nnsc3NC(=O)OC(C)(C)C)[nH]c2cc1OC ZINC000587039450 HG Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C1=O ZINC000587039536 HG Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C1=O ZINC000587039542 HG Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000587039663 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000587039665 HG Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587040301 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587041084 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587041085 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587041159 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587041170 HG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587041171 HG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2nc(Br)c[nH]c-2n1 ZINC000587041181 HG Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587041524 HG Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587041544 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587041560 HG Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587041561 HG Annotated Anodyne O=C1COc2cc3[nH]c(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)nc3cc2N1 ZINC000587041808 HG Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H]4Sc5ccc(Cl)cc5NC4=O)nc3cc2N1 ZINC000587041810 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587041884 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587041885 HG Annotated Anodyne COC(=O)c1cc2nc([C@H]3CSCC(=O)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587043216 HG Annotated Anodyne COC(=O)c1cc2nc([C@@H]3CSCC(=O)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587043217 HG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CSCC(=O)N5)[nH]c4c3)o2)cc1 ZINC000587043239 HG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CSCC(=O)N5)[nH]c4c3)o2)cc1 ZINC000587043240 HG Annotated Anodyne NS(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587043316 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043498 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043499 HG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587043590 HG Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587043591 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043694 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2c1 ZINC000587043695 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587043956 HG Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587043957 HG Annotated Anodyne O=C1CSc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2N1 ZINC000587044148 HG Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587044487 HG Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(I)cnc4[nH]3)cc2N1 ZINC000587044534 HG Annotated Anodyne NS(=O)(=O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587044589 HG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccnc(N)c3[nH]2)c1 ZINC000587048446 HG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(N)ncc3[nH]2)c1 ZINC000587049065 HG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cnnc(O)c3[nH]2)c1 ZINC000587050202 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051204 HG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cnnc(O)c3[nH]2)c1 ZINC000587051405 HG Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnnc(O)c3[nH]2)c1 ZINC000587051406 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2c1 ZINC000587051601 HG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(I)cnc2[nH]1 ZINC000587052631 HG Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587052808 HG Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587053381 HG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587053382 HG Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587054760 HG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587054789 HG Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587054864 HG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587054866 HG Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587057977 HG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587057982 HG Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587058019 HG Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587058020 HG Annotated Bother N#Cc1nc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2nc1C#N ZINC000587059537 HG Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2c1 ZINC000587059828 HG Annotated Anodyne Nc1ncc(-c2nc3nc(Br)c[nH]c-3n2)c(-c2ccccc2Cl)n1 ZINC000587061283 HG Annotated Anodyne Cc1cc(-c2nc3nc(N)ncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061539 HG Annotated Anodyne Cc1cc(-c2nc3c(O)nc(O)nc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061548 HG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccnc(O)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062198 HG Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062401 HG Annotated Anodyne Cc1cc(-c2nc3c(O)nc(N)nc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062647 HG Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(N)c(N)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063120 HG Annotated Anodyne Cc1onc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1COc1ccccc1Cl ZINC000587063775 HG Annotated Anodyne O=c1cccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063879 HG Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2n1 ZINC000587063968 HG Annotated Anodyne COC(=O)c1ccnc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064072 HG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cn1 ZINC000587064080 HG Annotated Anodyne COC(=O)c1cc2[nH]c(COc3c(C=O)cc(Cl)cc3OC)nc2cc1OC ZINC000587064639 HG Annotated Anodyne O=c1cccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064837 HG Annotated Bother COC(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1OC ZINC000587065052 HG Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)c(C)c1Cl ZINC000587065802 HG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2c1 ZINC000587066515 HG Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587067322 HG Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072486 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1cccc(Cl)c1 ZINC000587072495 HG Annotated Anodyne Cc1c(-c2nc3nc(Br)c[nH]c-3n2)nnn1Cc1ccc(Cl)cc1 ZINC000587073456 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587074970 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 ZINC000587074971 HG Annotated Anodyne Clc1ccc(-n2cc(-c3nc4cc(I)cnc4[nH]3)nn2)cc1 ZINC000587076336 HG Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587076521 HG Annotated Anodyne CC1=C(c2ccc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3c2)NNC(=O)C1 ZINC000587076835 HG Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(O)nc(N)nc4[nH]3)c(Cl)cc12 ZINC000587078401 HG Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(O)nc(N)nc4[nH]3)c(Cl)cc12 ZINC000587078403 HG Annotated Anodyne Cc1onc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587078693 HG Annotated Anodyne Cc1onc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078711 HG Annotated Bother Cc1onc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078712 HG Annotated Bother Cc1onc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078827 HG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587078837 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 ZINC000587078839 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078934 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 ZINC000587078935 HG Annotated Anodyne COc1cc2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2cc1OC ZINC000587079054 HG Annotated Bother COc1cc(OC)c2nc(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)[nH]c2c1 ZINC000587079087 HG Annotated Bother Cc1onc(-c2nc3cc4c(cc3[nH]2)OCO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079089 HG Annotated Bother Cc1onc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079098 HG Annotated Bother Cc1onc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079266 HG Annotated Bother Cc1onc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079589 HG Annotated Mild Cc1onc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079666 HG Annotated Bother Cc1onc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080145 HG Annotated Mild Cc1onc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080196 HG Annotated Bother COC(=O)c1cccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc12 ZINC000587080436 HG Annotated Bother COc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1F ZINC000587080546 HG Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 ZINC000587081037 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c12 ZINC000587081676 HG Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587081816 HG Annotated Anodyne CN1CCN(c2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)CC1 ZINC000587084399 HG Annotated Anodyne CN(C)CCOc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587085215 HG Annotated Anodyne COC(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1OC ZINC000587085327 HG Annotated Anodyne CC1=C(c2ccc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3c2)NNC(=O)C1 ZINC000587085515 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1[N+](=O)[O-] ZINC000587085547 HG Annotated Bother CC1=C(c2ccc3nc(C(F)(Br)Br)[nH]c3c2)NNC(=O)C1 ZINC000587086857 HG Annotated Anodyne Nc1ncc(Cl)nc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587087426 HG Annotated Anodyne N#Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1C#N ZINC000587088828 HG Annotated Mild O=C(O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587088839 HG Annotated Mild COC(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587088909 HG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587088937 HG Annotated Mild O=C(O)c1cc(F)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587088944 HG Annotated Mild O=C(O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1F ZINC000587089010 HG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(CCO)cc2[nH]1 ZINC000587089218 HG Annotated Mild COC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089219 HG Annotated Mild O=C(O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c12 ZINC000587089521 HG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587089524 HG Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587089648 HG Annotated Mild N[C@H](N=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089772 HG Annotated Mild N[C@@H](N=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089776 HG Annotated Mild NS(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090083 HG Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587090265 HG Annotated Mild O=[N+]([O-])c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nn1CC(F)(F)F ZINC000587091098 HG Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(F)(F)F ZINC000587091224 HG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(F)(F)F ZINC000587091231 HG Annotated Anodyne N#Cc1nc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2nc1C#N ZINC000587091345 HG Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccnc(O)c3[nH]2)CC1 ZINC000587091603 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cncnc3[nH]2)CC1 ZINC000587091615 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccnc(N)c3[nH]2)CC1 ZINC000587091718 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(N)ccnc3[nH]2)CC1 ZINC000587091720 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cnncc3[nH]2)CC1 ZINC000587091810 HG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2nc(Br)c[nH]c-2n1)C(F)(F)F ZINC000587091907 HG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2nc(Br)c[nH]c-2n1)C(F)(F)F ZINC000587091908 HG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587091960 HG Annotated Bother Cc1nc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2cc1Br ZINC000587092032 HG Annotated Bother Oc1nc(S)nc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 ZINC000587092057 HG Annotated Anodyne CC1=C(c2ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587092089 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(N)ncc3[nH]2)CC1 ZINC000587092228 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2c1 ZINC000587092442 HG Annotated Bother N=c1[nH]c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587092566 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ncc[nH]c-3n2)CC1 ZINC000587092765 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587092879 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccnc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587092883 HG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(F)(F)F ZINC000587092907 HG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(F)(F)F ZINC000587092908 HG Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)nn1CC(F)(F)F ZINC000587093164 HG Annotated Bother Cc1c(Br)cnc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc12 ZINC000587093299 HG Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cnc(C(F)(F)F)[nH]c-2n1)C(F)(F)F ZINC000587093322 HG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cnc(C(F)(F)F)[nH]c-2n1)C(F)(F)F ZINC000587093324 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cncc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587093441 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cncc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587093443 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(Br)ncc3[nH]2)C(F)(F)F)n1 ZINC000587093495 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)ncc3[nH]2)C(F)(F)F)n1 ZINC000587093496 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587093837 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1 ZINC000587093841 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C(F)(F)F)n1 ZINC000587093854 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)C(F)(F)F)n1 ZINC000587093856 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C(F)(F)F)n1 ZINC000587093885 HG Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C(F)(F)F)n1 ZINC000587093888 HG Annotated Bother COC(=O)c1ccc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1OC ZINC000587094032 HG Annotated Anodyne COC(=O)c1ccc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2c1OC ZINC000587094033 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(Br)nc3[nH]2)C(F)(F)F)n1 ZINC000587094114 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(Br)nc3[nH]2)C(F)(F)F)n1 ZINC000587094115 HG Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@](O)(c3nc(C)cs3)C(F)(F)F)nc2cc1OC ZINC000587094150 HG Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)nc2cc1OC ZINC000587094151 HG Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587094192 HG Annotated Clean C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587094193 HG Annotated Clean Cc1csc([C@](O)(Cc2nc3cc(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094324 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3cc(Br)cnc3[nH]2)C(F)(F)F)n1 ZINC000587094325 HG Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(S)nc(S)nc2[nH]1)C(F)(F)F ZINC000587094421 HG Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(S)nc(S)nc2[nH]1)C(F)(F)F ZINC000587094424 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587094688 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)NC(=O)CC(F)(F)F)nc2c1 ZINC000587094689 HG Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(Br)ccnc3[nH]2)C(F)(F)F)n1 ZINC000587095104 HG Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(Br)ccnc3[nH]2)C(F)(F)F)n1 ZINC000587095106 HG Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2C[C@H]1C(=O)OC)-c1ccccc1C4=O ZINC000587096725 HG Annotated Anodyne COC(=O)[C@@H]1c2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@H]1C(=O)OC ZINC000587099320 HG Annotated Anodyne COC(=O)[C@@H]1Cc2nc3c(C)ccc4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O ZINC000587099321 HG Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2[C@@H]1C(=O)OC)-c1ccccc1C4=O ZINC000587099322 HG Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(C)ccc4c3c(c2[C@H]1C(=O)OC)-c1ccccc1C4=O ZINC000587099323 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103930 HG Annotated Anodyne CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103934 HG Annotated Anodyne Cn1c(=O)c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)n(C)c2n(C)c1=O ZINC000587104269 HG Annotated Anodyne COC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)OC)-c1ccccc1C4=O ZINC000587105975 HG Annotated Anodyne COC(=O)[C@@H]1c2c(nc3cccc4c3c2-c2ccccc2C4=O)CC[C@H]1C(=O)OC ZINC000587107105 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 ZINC000587108568 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 ZINC000587109386 HG Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587110238 HG Annotated Bother CCOC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587111213 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4c(Br)ccnc4[nH]3)n2)cc1 ZINC000587111293 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111896 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5c(cc4[nH]3)OCCO5)n2)cc1 ZINC000587111905 HG Annotated Anodyne COc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1OC ZINC000587111981 HG Annotated Anodyne O=C(O)c1cc(F)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587111989 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cncc(Br)c4[nH]3)n2)cc1 ZINC000587112052 HG Annotated Anodyne COC(=O)c1ccc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112121 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112122 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1F ZINC000587112158 HG Annotated Bother COC(=O)c1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587112532 HG Annotated Anodyne COC(=O)c1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587112534 HG Annotated Anodyne COC(=O)c1cccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112635 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Br)ncc4[nH]3)n2)cc1 ZINC000587112663 HG Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112732 HG Annotated Mild O=C1CCc2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc2N1 ZINC000587112741 HG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587113096 HG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587113110 HG Annotated Anodyne COC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113309 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccnc(Br)c4[nH]3)n2)cc1 ZINC000587113346 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cnc(C(F)(F)F)[nH]c-4n3)n2)cc1 ZINC000587113355 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(Br)cnc4[nH]3)n2)cc1 ZINC000587113382 HG Annotated Anodyne COc1cc(OC)c2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2c1 ZINC000587113412 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113450 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113452 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc12 ZINC000587113600 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)nc12 ZINC000587113601 HG Annotated Anodyne O=C(O)c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1F ZINC000587113816 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5c(cc4[nH]3)OCCCO5)n2)cc1 ZINC000587113828 HG Annotated Anodyne N=c1[nH]c2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc-2c(Cl)[nH]1 ZINC000587113909 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113958 HG Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(Br)nc4[nH]3)n2)cc1 ZINC000587114016 HG Annotated Anodyne O=C(CSCc1nc2c(O)nc(S)nc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114452 HG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc[nH]c-4n3)cc2)c1C(F)(F)F ZINC000587114483 HG Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587114915 HG Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587114916 HG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cnncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115080 HG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)c1C(F)(F)F ZINC000587115119 HG Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c[nH]c(=N)[nH]c-4n3)nc2n1 ZINC000587115243 HG Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncncc4[nH]3)cc2)c1C(F)(F)F ZINC000587115273 HG Annotated Anodyne FC(F)(F)c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(Br)cn1 ZINC000587115895 HG Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587116039 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 ZINC000587116095 HG Annotated Anodyne N#Cc1nc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2nc1C#N ZINC000587116296 HG Annotated Mild CC1=C(c2ccc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c3c2)NNC(=O)C1 ZINC000587116319 HG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)ncc2[nH]1 ZINC000587116388 HG Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 ZINC000587116407 HG Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Br)nc2[nH]1 ZINC000587116533 HG Annotated Bother NNC(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116546 HG Annotated Reactive N=c1[nH]c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc-2c(Cl)[nH]1 ZINC000587116618 HG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587116716 HG Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587116740 HG Annotated Bother CCOC(=O)Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 ZINC000587116851 HG Annotated Bother Oc1nc(S)nc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc12 ZINC000587116928 HG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(Br)cnc2[nH]1 ZINC000587116976 HG Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cncc(Br)c2[nH]1 ZINC000587117017 HG Annotated Bother OCCc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117141 HG Annotated Anodyne CN1CCN(c2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)CC1 ZINC000587117183 HG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(Br)ccnc2[nH]1 ZINC000587117467 HG Annotated Bother Nc1nccc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc12 ZINC000587117478 HG Annotated Bother FC(F)(F)c1ccn(CCc2nc3cc(I)cnc3[nH]2)n1 ZINC000587117596 HG Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1OC ZINC000587117703 HG Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccnc(Br)c2[nH]1 ZINC000587117715 HG Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587117851 HG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587118047 HG Annotated Anodyne Oc1nc2cc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3cc2[nH]1 ZINC000587118050 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 ZINC000587118076 HG Annotated Anodyne CN(C)C(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118147 HG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CCn3ccc(C(F)(F)F)n3)nc-2[nH]1 ZINC000587118359 HG Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1OC ZINC000587118439 HG Annotated Anodyne O=C(O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118572 HG Annotated Anodyne CC1=C(c2ccc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3c2)NNC(=O)C1 ZINC000587118751 HG Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)no2)n1 ZINC000587118945 HG Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587119006 HG Annotated Anodyne Nc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cn1 ZINC000587119033 HG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587119279 HG Annotated Anodyne O=S(=O)(c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1)C(F)(F)F ZINC000587119337 HG Annotated Anodyne FC(F)(F)c1nn(Cc2nc3nc(Br)c[nH]c-3n2)c2c1CCCC2 ZINC000587119372 HG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587119381 HG Annotated Anodyne Nc1ccnc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 ZINC000587119497 HG Annotated Bother O=[N+]([O-])c1cncc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119527 HG Annotated Bother O=[N+]([O-])c1cnc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587119535 HG Annotated Bother O=C(O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119568 HG Annotated Anodyne CN1CCN(c2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)CC1 ZINC000587120082 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1[N+](=O)[O-] ZINC000587120128 HG Annotated Bother O=C1CCc2cc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3cc2N1 ZINC000587120145 HG Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587120531 HG Annotated Anodyne COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1F ZINC000587120578 HG Annotated Anodyne COc1cc(OC)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2c1 ZINC000587120806 HG Annotated Anodyne Oc1nc(O)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2n1 ZINC000587120833 HG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587120988 HG Annotated Bother Cc1cnc(Cl)c2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc12 ZINC000587121017 HG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587121048 HG Annotated Anodyne COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1C ZINC000587121171 HG Annotated Anodyne COc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1OC ZINC000587121244 HG Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587121261 HG Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587121659 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 ZINC000587122831 HG Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123099 HG Annotated Bother Cc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123837 HG Annotated Anodyne FC(F)COc1cccc(-c2nc3ncc(I)cc3[nH]2)n1 ZINC000587126242 HG Annotated Anodyne Cc1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126537 HG Annotated Bother Cc1nc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1Br ZINC000587126744 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(O)c(Br)ccc2[nH]1)C(F)(F)F ZINC000587126872 HG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 ZINC000587126957 HG Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 ZINC000587126958 HG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 ZINC000587126959 HG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4nc(Br)c[nH]c-4n3)cc2N1 ZINC000587126960 HG Annotated Anodyne COC(=O)c1cc(Cl)c2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2c1 ZINC000587127067 HG Annotated Anodyne O=[N+]([O-])c1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Cl ZINC000587127203 HG Annotated Bother O=S(=O)(c1ncccc1-c1nc2cnc(Br)cc2[nH]1)C(F)(F)F ZINC000587127229 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)nccc2[nH]1)C(F)(F)F ZINC000587127379 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1)C(F)(F)F ZINC000587127408 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(Br)cncc2[nH]1)C(F)(F)F ZINC000587127414 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nccc(Br)c2[nH]1)C(F)(F)F ZINC000587127523 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2ncc(Br)cc2[nH]1)C(F)(F)F ZINC000587127529 HG Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nc(Br)ccc2[nH]1)C(F)(F)F ZINC000587127593 HG Annotated Anodyne Cc1c(Br)cnc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c12 ZINC000587127609 HG Annotated Anodyne FC(F)c1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cnc2ncnn12 ZINC000587127866 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1 ZINC000587127870 HG Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587127999 HG Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128073 HG Annotated Bother FC(F)c1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cnc2ncnn12 ZINC000587128180 HG Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128414 HG Annotated Anodyne Cn1nnc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1C(F)F ZINC000587128711 HG Annotated Anodyne FC(F)c1c(-c2nc3cccc(I)c3[nH]2)cnc2ncnn12 ZINC000587128759 HG Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc4ncnn4c3C(F)F)[nH]c21 ZINC000587128772 HG Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C)nccc5[nH]4)nc3n2)cn1 ZINC000587129014 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc(C)c5[nH]4)nc3n2)cn1 ZINC000587129022 HG Annotated Anodyne Cc1cc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc2cc1[N+](=O)[O-] ZINC000587129202 HG Annotated Bother FC(F)c1c(-c2nc3ccc(I)cc3[nH]2)cnc2ncnn12 ZINC000587129297 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnc4ncnn4c3C(F)F)nc2c1 ZINC000587129382 HG Annotated Anodyne CC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 ZINC000587129601 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnccc5[nH]4)nc3n2)cn1 ZINC000587130070 HG Annotated Anodyne Cn1nc(-c2nc3ncnc(N)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130077 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(C)ccnc5[nH]4)nc3n2)cn1 ZINC000587130274 HG Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1OC(F)F ZINC000587130279 HG Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1OC(F)F ZINC000587130281 HG Annotated Anodyne Cn1nc(-c2nc3c(O)nncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130599 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(O)cc5[nH]4)nc3n2)cn1 ZINC000587130631 HG Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1OC(F)F ZINC000587130734 HG Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1OC(F)F ZINC000587130735 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(C)nc5[nH]4)nc3n2)cn1 ZINC000587130984 HG Annotated Anodyne Cn1nc(-c2nc3c(O)ncnc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131034 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(O)c5[nH]4)nc3n2)cn1 ZINC000587131173 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C)cnc5[nH]4)nc3n2)cn1 ZINC000587131174 HG Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccnc5[nH]4)nc3n2)cn1 ZINC000587131205 HG Annotated Anodyne CC(C)OC(=O)C1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC(F)(F)C1 ZINC000587131456 HG Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(I)cnc3[nH]2)CC(F)(F)C1 ZINC000587131524 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)C1 ZINC000587131652 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)C1 ZINC000587131659 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C(F)(F)C1 ZINC000587131961 HG Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)C(F)(F)C1 ZINC000587131962 HG Annotated Bother COC(=O)c1cc2[nH]c([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1OC ZINC000587132089 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)nc2cc1OC ZINC000587132090 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3nc(Br)c[nH]c-3n2)C(F)(F)C1 ZINC000587132143 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3nc(Br)c[nH]c-3n2)C(F)(F)C1 ZINC000587132144 HG Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)CC1 ZINC000587132222 HG Annotated Anodyne CN1CCN(c2ccc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3c2)CC1 ZINC000587132223 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1OC ZINC000587132574 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1OC ZINC000587132576 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 ZINC000587133386 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc12 ZINC000587133512 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c12 ZINC000587133947 HG Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Cl ZINC000587134058 HG Annotated Anodyne O=S(=O)(NCc1nc2cccc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134078 HG Annotated Anodyne O=S(=O)(NCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134328 HG Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134343 HG Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134344 HG Annotated Anodyne O=S(=O)(NCc1nc2ccc(Br)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134652 HG Annotated Anodyne O=S(=O)(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134667 HG Annotated Mild O=S(=O)(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134697 HG Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134913 HG Annotated Anodyne O=S(=O)(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134925 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Cl ZINC000587134992 HG Annotated Bother O=S(=O)(NCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587135001 HG Annotated Anodyne Nc1cc(F)c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1N ZINC000587135645 HG Annotated Anodyne Cc1ccc2c(ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c32)n1 ZINC000587135916 HG Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2cc1OC ZINC000587136283 HG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c12 ZINC000587136611 HG Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136659 HG Annotated Bother Cc1cc(N(C)Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136665 HG Annotated Bother CC1=C(c2ccc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587136687 HG Annotated Bother COC(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1OC ZINC000587136955 HG Annotated Bother Nc1cc(F)c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1N ZINC000587136967 HG Annotated Anodyne Cc1cc(N(C)Cc2nc3ccc(OCCN(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136996 HG Annotated Bother CCS(=O)(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 ZINC000587136998 HG Annotated Bother Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137204 HG Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 ZINC000587137760 HG Annotated Anodyne N#Cc1nc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2nc1C#N ZINC000587138139 HG Annotated Mild N#Cc1nc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2nc1C#N ZINC000587138243 HG Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(N)ccnc2[nH]1 ZINC000587140050 HG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(N)ccnc2[nH]1 ZINC000587140051 HG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(N)ncc2[nH]1 ZINC000587140397 HG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(N)ncc2[nH]1 ZINC000587140398 HG Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccnc(O)c2[nH]1)c1cc(F)ccc1F ZINC000587140536 HG Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(N)c2[nH]1 ZINC000587140986 HG Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccnc(N)c2[nH]1 ZINC000587140987 HG Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000587141786 HG Annotated Anodyne N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1F ZINC000587142483 HG Annotated Anodyne N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(Br)cc1F ZINC000587142484 HG Annotated Anodyne N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1F ZINC000587142719 HG Annotated Anodyne N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1F ZINC000587142720 HG Annotated Anodyne COc1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144117 HG Annotated Mild N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1F ZINC000587144243 HG Annotated Anodyne N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1F ZINC000587144248 HG Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)cc2F)c1 ZINC000587144481 HG Annotated Mild N[C@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1F ZINC000587144876 HG Annotated Anodyne N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1F ZINC000587144878 HG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144910 HG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 ZINC000587144911 HG Annotated Anodyne Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F ZINC000587145483 HG Annotated Anodyne Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F ZINC000587145497 HG Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000587147105 HG Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c(F)c2)c1 ZINC000587147121 HG Annotated Mild CCOC(=O)Cc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587147970 HG Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(O)nc(S)nc4[nH]3)cc2)cc1F ZINC000587147971 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587147977 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 ZINC000587148266 HG Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148309 HG Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587148310 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1OC ZINC000587148583 HG Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1OC ZINC000587148586 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148843 HG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148991 HG Annotated Bother COC(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1OC ZINC000587149079 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1OC ZINC000587149082 HG Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(I)cnc3[nH]2)cc1F ZINC000587149339 HG Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F ZINC000587149369 HG Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1F ZINC000587149510 HG Annotated Bother O=C1C[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149610 HG Annotated Bother O=C1C[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587149613 HG Annotated Bother C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587150721 HG Annotated Anodyne C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587150731 HG Annotated Anodyne N=c1[nH]cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc-2[nH]1 ZINC000587152932 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154120 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154121 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2c1 ZINC000587154122 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2c1 ZINC000587154123 HG Annotated Anodyne N=c1[nH]c2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)nc-2c(Cl)[nH]1 ZINC000587154485 HG Annotated Anodyne O=C(COc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)Nc1ccccc1F ZINC000587154847 HG Annotated Anodyne COc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)nn1-c1ccccc1F ZINC000587155301 HG Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4ccc(F)c(Br)n4)nc3c2)NNC(=O)C1 ZINC000587155412 HG Annotated Anodyne CCCc1nc(-c2nc3nc(Br)c[nH]c-3n2)nn1-c1ccccc1F ZINC000587155782 HG Annotated Anodyne COc1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)nn1-c1ccccc1F ZINC000587155936 HG Annotated Anodyne C[C@@]1(c2nc3cc(I)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156438 HG Annotated Anodyne C[C@]1(c2nc3cc(I)cnc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587156439 HG Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 ZINC000587156515 HG Annotated Bother CC1=C(c2ccc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)NNC(=O)C1 ZINC000587156624 HG Annotated Anodyne CC1=C(c2ccc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c3c2)NNC(=O)C1 ZINC000587156625 HG Annotated Anodyne Nc1nccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156952 HG Annotated Anodyne Oc1nccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587156974 HG Annotated Anodyne Nc1ccnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 ZINC000587157131 HG Annotated Anodyne Nc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1N ZINC000587157389 HG Annotated Anodyne Nc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cn1 ZINC000587157991 HG Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587158309 HG Annotated Bother O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(I)cnc2[nH]1 ZINC000587158331 HG Annotated Bother CC1=C(c2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)NNC(=O)C1 ZINC000587158513 HG Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587158721 HG Annotated Bother NS(=O)(=O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 ZINC000587159079 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587159235 HG Annotated Bother COC(=O)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1OC ZINC000587160609 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1[N+](=O)[O-] ZINC000587160763 HG Annotated Bother Nc1nc(O)c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2n1 ZINC000587160979 HG Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc-2[nH]1 ZINC000587161062 HG Annotated Anodyne O=C(CCc1nc2cc(I)cnc2[nH]1)Nc1cccc(F)c1 ZINC000587161716 HG Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2cc1OC ZINC000587161851 HG Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4nc(Br)c[nH]c-4n3)c2Cl)c1 ZINC000587162308 HG Annotated Anodyne O=C1CC=C(c2nc3c(F)cnc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162450 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2c1 ZINC000587162700 HG Annotated Anodyne O=C1CC=C(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162846 HG Annotated Anodyne O=C(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1cccc(F)c1 ZINC000587162868 HG Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)nc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587162909 HG Annotated Anodyne O=C1CC=C(c2nc3cc(Br)ncc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163528 HG Annotated Anodyne O=C1CC=C(c2nc3cncc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163618 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 ZINC000587164310 HG Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc12 ZINC000587164350 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587164372 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c2c1 ZINC000587164373 HG Annotated Anodyne O=C1CC=C(c2nc3cc(Br)cnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164374 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2c1 ZINC000587164544 HG Annotated Anodyne O=C1CC=C(c2nc3ccc(Br)c(O)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164549 HG Annotated Anodyne O=C1CC=C(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)NN1Cc1ccc(F)cc1 ZINC000587164598 HG Annotated Anodyne O=C1CC=C(c2nc3c(Br)ccnc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164613 HG Annotated Anodyne Cc1nc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2cc1Br ZINC000587164668 HG Annotated Anodyne O=C1CC=C(c2nc3ccnc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164710 HG Annotated Anodyne CC1=C(c2ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3c2)NNC(=O)C1 ZINC000587165325 HG Annotated Anodyne N=c1[nH]cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc-2[nH]1 ZINC000587165456 HG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(O)ncnc3[nH]2)c1C ZINC000587165632 HG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(N)ncnc3[nH]2)c1C ZINC000587165874 HG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c[nH]c(=N)[nH]c-3n2)c1C ZINC000587165876 HG Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cnnc(O)c3[nH]2)c1C ZINC000587165897 HG Annotated Anodyne N#Cc1nc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2nc1C#N ZINC000587165921 HG Annotated Mild Oc1nc(O)c2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2n1 ZINC000587166027 HG Annotated Anodyne O=C(/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccc(F)cc1 ZINC000587166235 HG Annotated Anodyne O=C(/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Nc1ccc(F)cc1 ZINC000587166237 HG Annotated Anodyne NNC(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166269 HG Annotated Reactive Nc1ncnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 ZINC000587166298 HG Annotated Anodyne O=C(/C=C/c1nc2cc(I)cnc2[nH]1)Nc1ccc(F)cc1 ZINC000587167335 HG Annotated Anodyne O=C(/C=C\c1nc2cc(I)cnc2[nH]1)Nc1ccc(F)cc1 ZINC000587167336 HG Annotated Anodyne N=c1[nH]c2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc-2c(Cl)[nH]1 ZINC000587168102 HG Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587168202 HG Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4nc(Br)c[nH]c-4n3)c2C2CC2)cc1 ZINC000587168251 HG Annotated Anodyne CN(Cc1nc2ccc(F)c(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169390 HG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)cc1 ZINC000587169730 HG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)cc1 ZINC000587169731 HG Annotated Anodyne CN(Cc1nc2ccc(Br)c(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169777 HG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169786 HG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(F)cnc2[nH]1)c1ccc(F)cc1 ZINC000587169787 HG Annotated Anodyne COc1cncc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170020 HG Annotated Anodyne COc1cncc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170024 HG Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)c1ccc(F)cc1 ZINC000587170213 HG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Cl)ncnc2[nH]1)c1ccc(F)cc1 ZINC000587170214 HG Annotated Anodyne COc1nccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170285 HG Annotated Anodyne COc1nccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587170287 HG Annotated Anodyne CN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170384 HG Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1)C(F)(F)F ZINC000587170543 HG Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)cc1 ZINC000587170660 HG Annotated Anodyne CN(Cc1nc2cc(Br)c(F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170782 HG Annotated Anodyne COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cn1 ZINC000587171000 HG Annotated Anodyne COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cn1 ZINC000587171001 HG Annotated Anodyne CN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171015 HG Annotated Mild O=S(=O)(N[C@@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587171059 HG Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)cc1 ZINC000587171060 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171282 HG Annotated Anodyne CN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171368 HG Annotated Anodyne CN(Cc1nc2cc(Br)cc(F)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171390 HG Annotated Anodyne CN(Cc1nc2cc(F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171406 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171615 HG Annotated Anodyne O=C1COc2cc3[nH]c(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)nc3cc2N1 ZINC000587171992 HG Annotated Anodyne COc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587172068 HG Annotated Anodyne COc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2n1 ZINC000587172069 HG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cc3cc(F)cc4c3OCOC4)nc-2[nH]1 ZINC000587172135 HG Annotated Anodyne Fc1cc2c(c(Cc3nc4cc(I)cnc4[nH]3)c1)OCOC2 ZINC000587172197 HG Annotated Anodyne CC1=C(c2ccc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3c2)NNC(=O)C1 ZINC000587173541 HG Annotated Anodyne CC1=C(c2ccc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3c2)NNC(=O)C1 ZINC000587173542 HG Annotated Anodyne O=c1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173620 HG Annotated Anodyne C[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174523 HG Annotated Anodyne C[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174524 HG Annotated Anodyne C[C@@]1(c2nc3cc(I)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174782 HG Annotated Anodyne C[C@]1(c2nc3cc(I)cnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174784 HG Annotated Anodyne COc1ncc(F)cc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587175719 HG Annotated Anodyne Nc1c(-c2nc3cc(I)cnc3[nH]2)cnc2c(F)cccc12 ZINC000587175904 HG Annotated Anodyne Fc1cc(-c2nc3cc(I)cnc3[nH]2)cc(N2CCCC2)n1 ZINC000587177616 HG Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(F)nc(N4CCCC4)c3)nc-2[nH]1 ZINC000587177774 HG Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(Br)cnc4F)[nH]c3c2)NNC(=O)C1 ZINC000587178123 HG Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(I)c(N)cc3OC)[nH]c12 ZINC000587178427 HG Annotated Anodyne Oc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587178492 HG Annotated Anodyne Oc1nncc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178548 HG Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc12 ZINC000587178685 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c1 ZINC000587178711 HG Annotated Anodyne Oc1nc(O)c2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2n1 ZINC000587178726 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587178731 HG Annotated Mild COc1cc(N)c(I)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587178846 HG Annotated Bother COc1cc(N)c(I)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587178855 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587178860 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587178886 HG Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587178903 HG Annotated Anodyne N=c1[nH]cc2nc(-c3ccc(C(F)(F)F)cc3I)nc-2[nH]1 ZINC000587178910 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587178957 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587178963 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587179130 HG Annotated Anodyne Cc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1Cl ZINC000587179495 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(OC)cc3I)[nH]c2n1 ZINC000587179615 HG Annotated Anodyne Cc1c(Cl)ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587179625 HG Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(I)c1C(=O)O ZINC000587179651 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587179717 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587179738 HG Annotated Anodyne Cn1nc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(I)c1C(=O)O ZINC000587179841 HG Annotated Anodyne Cc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1Cl ZINC000587179866 HG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587180009 HG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncnc(Cl)c2[nH]1 ZINC000587180010 HG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587180014 HG Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2c([N+](=O)[O-])cncc2[nH]1 ZINC000587180017 HG Annotated Bother Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c(Cl)cc2[nH]1 ZINC000587180102 HG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c3c(ccc2[nH]1)CCCC3 ZINC000587180283 HG Annotated Anodyne COc1ccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(I)c1 ZINC000587180622 HG Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc12 ZINC000587180702 HG Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(OC)cc3I)[nH]c2cn1 ZINC000587180720 HG Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(I)c1 ZINC000587180749 HG Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(F)cc(Cl)cc2[nH]1 ZINC000587180751 HG Annotated Anodyne COc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)c(I)c1 ZINC000587180765 HG Annotated Anodyne Cc1cc(Cl)cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 ZINC000587180768 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cncc(Cl)c2[nH]1 ZINC000587180832 HG Annotated Anodyne Cn1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(I)c1C(=O)O ZINC000587181153 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587181289 HG Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587181336 HG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587181417 HG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587181418 HG Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587181513 HG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2nc(Cl)ncc2[nH]1 ZINC000587181514 HG Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000587181542 HG Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2ncc([N+](=O)[O-])cc2[nH]1 ZINC000587181543 HG Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587181738 HG Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587181739 HG Annotated Mild CC(C)(C)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587181740 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587181745 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587181746 HG Annotated Anodyne Cc1cc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2cc1[N+](=O)[O-] ZINC000587181772 HG Annotated Bother Cc1cc2[nH]c([C@H](C)n3ncc(I)c3C)nc2cc1[N+](=O)[O-] ZINC000587181773 HG Annotated Bother Oc1nc(O)c(I)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)n1 ZINC000587181807 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587181820 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587181821 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587181822 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587181823 HG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1 ZINC000587181839 HG Annotated Anodyne CC(C)(C)c1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587181846 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)n3ncc(I)c3C)nc2c1 ZINC000587181847 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)n3ncc(I)c3C)nc2c1 ZINC000587181848 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587181924 HG Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587181925 HG Annotated Mild COc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1F ZINC000587181941 HG Annotated Anodyne COc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1F ZINC000587181942 HG Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587181950 HG Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587181952 HG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587181966 HG Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)n3ncc(I)c3C)[nH]c12 ZINC000587181967 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587181991 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587181993 HG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(I)ccc3Cl)nc12 ZINC000587182057 HG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)n1 ZINC000587182141 HG Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182184 HG Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 ZINC000587182185 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587182468 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587182470 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587182518 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587182538 HG Annotated Anodyne Fc1ccc(I)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587182705 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587182711 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587182712 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587182718 HG Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587182719 HG Annotated Bother Cc1c(I)cnn1[C@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587182797 HG Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587182799 HG Annotated Anodyne N=c1[nH]c2nc(-c3cc(I)ccc3Cl)nc-2c(Cl)[nH]1 ZINC000587182936 HG Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587183009 HG Annotated Anodyne N#Cc1nc2nc(-c3cc(I)ccc3Cl)[nH]c2nc1C#N ZINC000587183016 HG Annotated Mild Cc1c(I)cnn1[C@@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587183025 HG Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(Cl)cc(I)c3)nc12 ZINC000587183071 HG Annotated Anodyne Fc1ccc(I)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587183129 HG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc4ccccc4cc3[nH]2)n1 ZINC000587183278 HG Annotated Anodyne N=c1[nH]c2nc(-c3cc(Cl)cc(I)c3)nc-2c(Cl)[nH]1 ZINC000587183352 HG Annotated Anodyne Clc1ccc(I)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587183407 HG Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)n1 ZINC000587183422 HG Annotated Anodyne COc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1OC ZINC000587183430 HG Annotated Anodyne COc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1OC ZINC000587183431 HG Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1C#N ZINC000587183817 HG Annotated Mild N#Cc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1C#N ZINC000587183818 HG Annotated Mild Clc1cc(I)cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587183836 HG Annotated Anodyne CC[C@H](c1nc2cccc(C(=O)OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184020 HG Annotated Anodyne CC[C@@H](c1nc2cccc(C(=O)OC)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184021 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3cncc(I)c3)[nH]c2c1OC ZINC000587184028 HG Annotated Anodyne CC[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184085 HG Annotated Mild CC[C@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184086 HG Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587184158 HG Annotated Mild N#Cc1nc(Cl)cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587184159 HG Annotated Mild Brc1nccc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587184217 HG Annotated Anodyne Brc1cc2nc(-c3cncc(I)c3)[nH]c2cn1 ZINC000587184219 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587184356 HG Annotated Bother COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1OC ZINC000587184358 HG Annotated Anodyne COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1OC ZINC000587184359 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587184372 HG Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 ZINC000587184373 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587184375 HG Annotated Bother CC[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184377 HG Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184379 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587184459 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587184461 HG Annotated Anodyne Cc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1Cl ZINC000587184472 HG Annotated Anodyne Cc1c(Cl)ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587184473 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587184514 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587184516 HG Annotated Anodyne N#Cc1nc2nc(-c3cc(Cl)cc(I)c3)[nH]c2nc1C#N ZINC000587184720 HG Annotated Mild COC(=O)c1cc2[nH]c(-c3cncc(I)c3)nc2cc1OC ZINC000587184728 HG Annotated Anodyne Ic1cccc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587184741 HG Annotated Anodyne Ic1cccc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587184742 HG Annotated Anodyne CC[C@@H](c1nc2ccc(C(=O)OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184769 HG Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)OC)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184771 HG Annotated Anodyne Cc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1Cl ZINC000587184857 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587184987 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587184992 HG Annotated Anodyne CC[C@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185098 HG Annotated Anodyne CC[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185099 HG Annotated Anodyne Brc1ccc2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587185102 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587185226 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587185227 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587185228 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587185229 HG Annotated Anodyne CC(C)(C)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587185270 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cncc(I)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587185300 HG Annotated Bother Ic1cncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 ZINC000587185338 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 ZINC000587185444 HG Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc(I)c(C)n1 ZINC000587185454 HG Annotated Anodyne Cc1c(Cl)ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587185456 HG Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc(I)c(C)n1 ZINC000587185460 HG Annotated Anodyne Brc1cnc2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185468 HG Annotated Anodyne Brc1cncc2nc(-c3cncc(I)c3)[nH]c12 ZINC000587185648 HG Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1cc(I)c(C)n1 ZINC000587185654 HG Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)n1cc(I)c(C)n1 ZINC000587185655 HG Annotated Anodyne CC[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185735 HG Annotated Anodyne CC[C@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185738 HG Annotated Anodyne CC[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185742 HG Annotated Anodyne CC[C@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185745 HG Annotated Anodyne CC[C@H](c1nc2nc(Cl)c[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185783 HG Annotated Anodyne CC[C@@H](c1nc2nc(Cl)c[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587185784 HG Annotated Anodyne Brc1ccnc2[nH]c(-c3cncc(I)c3)nc12 ZINC000587185926 HG Annotated Anodyne CC[C@@H](c1nc2ccc(CCO)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186035 HG Annotated Anodyne CC[C@H](c1nc2ccc(CCO)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186036 HG Annotated Anodyne CC[C@H](c1nc2cccc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186047 HG Annotated Anodyne CC[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186048 HG Annotated Anodyne CC[C@H](c1nc2cnc(Cl)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587186102 HG Annotated Anodyne CC[C@@H](c1nc2cnc(Cl)[nH]c-2n1)n1cc(I)c(C)n1 ZINC000587186103 HG Annotated Anodyne O=C(O)c1nn(Cc2nc3cc4ccccc4cc3[nH]2)cc1I ZINC000587186161 HG Annotated Anodyne COC(=O)c1cccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587186245 HG Annotated Anodyne COC(=O)c1cccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c12 ZINC000587186246 HG Annotated Anodyne Cc1cc(Cl)cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587186261 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587186277 HG Annotated Bother N[C@@H](Cc1ccc(I)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587186278 HG Annotated Bother Cc1c(Br)cnc2[nH]c(-c3nccnc3I)nc12 ZINC000587186381 HG Annotated Anodyne CC(C)(C)c1cccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c12 ZINC000587186430 HG Annotated Anodyne CC(C)(C)c1cccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186477 HG Annotated Anodyne Cc1cc(Cl)cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc12 ZINC000587186544 HG Annotated Anodyne CC[C@H](c1nc2c(Cl)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186561 HG Annotated Anodyne CC[C@@H](c1nc2c(Cl)ncnc2[nH]1)n1cc(I)c(C)n1 ZINC000587186564 HG Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587186607 HG Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587186608 HG Annotated Anodyne Oc1c(Br)ccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186635 HG Annotated Anodyne Cc1nc2[nH]c(-c3nccnc3I)nc2cc1Br ZINC000587186655 HG Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186666 HG Annotated Mild Brc1cccc2nc(-c3nccnc3I)[nH]c12 ZINC000587186694 HG Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nccnc3I)[nH]c2cc1Cl ZINC000587186707 HG Annotated Bother Brc1ccc2nc(-c3nccnc3I)[nH]c2c1 ZINC000587186799 HG Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186851 HG Annotated Anodyne Ic1cnc2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)cn12 ZINC000587186985 HG Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187052 HG Annotated Anodyne N#Cc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1C#N ZINC000587187294 HG Annotated Mild Ic1cnc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cn12 ZINC000587187360 HG Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187662 HG Annotated Bother O=C(O)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587187782 HG Annotated Anodyne Oc1nc2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc2[nH]1 ZINC000587187858 HG Annotated Anodyne Ic1cnc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cn12 ZINC000587188143 HG Annotated Anodyne COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1OC ZINC000587188190 HG Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188425 HG Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587188503 HG Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188696 HG Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188698 HG Annotated Anodyne OCCc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587188769 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587189874 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587189887 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587191237 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587191239 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587191340 HG Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587191348 HG Annotated Anodyne O=C(O)CCN(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Cc1ccccc1 ZINC000587193097 HG Annotated Anodyne O=C(O)CCN(CCc1nc2c(Br)ccnc2[nH]1)Cc1ccccc1 ZINC000587193165 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 ZINC000587193192 HG Annotated Anodyne O=C(O)CCN(CCc1nc2c(F)cnc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193408 HG Annotated Anodyne C#CCN(Cc1nc2c(N)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193553 HG Annotated Mild O=C(O)CCN(CCc1nc2ccc(Br)nc2[nH]1)Cc1ccccc1 ZINC000587193589 HG Annotated Anodyne O=C(O)CCN(CCc1nc2cc(Br)ncc2[nH]1)Cc1ccccc1 ZINC000587193710 HG Annotated Anodyne O=C(O)CCN(CCc1nc2ccnc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193792 HG Annotated Anodyne C#CCN(Cc1nc2c[nH]c(=N)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193840 HG Annotated Mild O=C(O)CCN(CCc1nc2cc(Br)cnc2[nH]1)Cc1ccccc1 ZINC000587193842 HG Annotated Anodyne CN(CCc1nc2cnnc(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193861 HG Annotated Anodyne CN(CCc1nc2c(O)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193884 HG Annotated Anodyne O=C(O)CCN(CCc1nc2cncc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193970 HG Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587194233 HG Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587194234 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587194246 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587194247 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1 ZINC000587194283 HG Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587194398 HG Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587194399 HG Annotated Anodyne CN(CCc1nc2c(N)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194590 HG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587194753 HG Annotated Anodyne CN(CCc1nc2c[nH]c(=N)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194817 HG Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587195285 HG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C[C@@H]1CCCO1 ZINC000587196786 HG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C[C@H]1CCCO1 ZINC000587196787 HG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587196827 HG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587196829 HG Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587196945 HG Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587196946 HG Annotated Anodyne COC(=O)c1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587197426 HG Annotated Anodyne COC(=O)c1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587197427 HG Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C[C@H]1CCCO1 ZINC000587197486 HG Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197488 HG Annotated Bother CC(C)[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197772 HG Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198265 HG Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cn1 ZINC000587198409 HG Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587198416 HG Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 ZINC000587198654 HG Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587198681 HG Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2n1 ZINC000587198696 HG Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198936 HG Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587199038 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587200933 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587201811 HG Annotated Anodyne C=C(NC(C)=O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587202148 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587202513 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c12 ZINC000587202515 HG Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587202611 HG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587202791 HG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587202795 HG Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000587202971 HG Annotated Anodyne O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587203116 HG Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587203117 HG Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587203435 HG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587203559 HG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587203560 HG Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587203927 HG Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587203933 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205044 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 ZINC000587205045 HG Annotated Anodyne CC(=O)n1nc(N2C(=O)C=C(c3cc4c5c(cccc5n3)CC4)C2=O)c2ccccc21 ZINC000587211951 HG Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H]1Cc2nc3cccc4c3c(c21)CC4 ZINC000587212829 HG Annotated Anodyne C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H]1Cc2nc3cccc4c3c(c21)CC4 ZINC000587212832 HG Annotated Anodyne C[C@@H]1CN(C(=O)[C@H]2Cc3nc4cccc5c4c(c32)CC5)CCN1C(=O)OC(C)(C)C ZINC000587213486 HG Annotated Anodyne C[C@@H]1CN(C(=O)[C@@H]2Cc3nc4cccc5c4c(c32)CC5)CCN1C(=O)OC(C)(C)C ZINC000587213487 HG Annotated Anodyne CN(CCCC(=O)O)S(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 ZINC000587216350 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(C)cc1 ZINC000587216638 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(C)cc1 ZINC000587216639 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(C)cc1 ZINC000587216640 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(C)cc1 ZINC000587216641 HG Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216884 HG Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(C)cc1 ZINC000587216885 HG Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1OCC(=O)NC(C)C ZINC000587217250 HG Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccccc1 ZINC000587220363 HG Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccccc1 ZINC000587220365 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587223150 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587223152 HG Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587223259 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(I)c2[nH]1 ZINC000587223712 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(I)c2[nH]1 ZINC000587223714 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Br)nc3[nH]2)cc1 ZINC000587224214 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cncc(Br)c3[nH]2)cc1 ZINC000587224509 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587224516 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587224517 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Br)ncc3[nH]2)cc1 ZINC000587224987 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587225220 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587225221 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587225280 HG Annotated Bother C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587225285 HG Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(Br)c3[nH]2)cc1 ZINC000587225360 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587225770 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587225771 HG Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1OCC(=O)NC(C)C ZINC000587226170 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(Br)ccnc3[nH]2)cc1 ZINC000587226201 HG Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(I)cc2[nH]1 ZINC000587226211 HG Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(I)cc2[nH]1 ZINC000587226213 HG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587227055 HG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587227084 HG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587227427 HG Annotated Anodyne CN[C@@H](c1cccnc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587227517 HG Annotated Anodyne CN[C@H](c1cccnc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587227518 HG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587227647 HG Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587227826 HG Annotated Anodyne CCCCCCCC(=O)NCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587228049 HG Annotated Mild CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587228057 HG Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000587228090 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000587228127 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000587228425 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000587228453 HG Annotated Anodyne O=C(NCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCc1ccccc1 ZINC000587228725 HG Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587228927 HG Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000587228949 HG Annotated Bother COc1ccc(C)cc1NCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587229263 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C2CC2)n1 ZINC000587229273 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587229351 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587229352 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587229353 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587229354 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(C2CC2)n1 ZINC000587229562 HG Annotated Reactive CCNC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587229637 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587230085 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587230089 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587230090 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587230091 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587230151 HG Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587230157 HG Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587230159 HG Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587230162 HG Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587230497 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587230498 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587230499 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587230501 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 ZINC000587230599 HG Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587230606 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 ZINC000587230757 HG Annotated Anodyne CCNC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587230788 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(OC(C)C)cc3[nH]2)c1 ZINC000587230945 HG Annotated Anodyne N=c1[nH]c2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)nc-2c(Cl)[nH]1 ZINC000587231218 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)cc(F)c3[nH]2)c1 ZINC000587231460 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(C2CC2)n1 ZINC000587231547 HG Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc4ncccc4c3[nH]2)c1 ZINC000587231593 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)cc(C)c3[nH]2)c1 ZINC000587231810 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587231841 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(C2CC2)n1 ZINC000587232003 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587232036 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587232037 HG Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587232038 HG Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587232039 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(Cl)c3[nH]2)c1 ZINC000587232078 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(SC)cc3[nH]2)c1 ZINC000587232281 HG Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)c(F)cc3[nH]2)c1 ZINC000587232494 HG Annotated Anodyne C=CCc1cccc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c12 ZINC000587232497 HG Annotated Mild CC1=C(c2ccc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587233598 HG Annotated Anodyne CC1=C(c2ccc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587233698 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 ZINC000587233721 HG Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)nc2cc1OC ZINC000587234159 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC(=O)CC1 ZINC000587234342 HG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C3(NC(C)=O)CCC(C)CC3)[nH]c2c1 ZINC000587234384 HG Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 ZINC000587234409 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(Br)ccnc3[nH]2)CCC(O)CC1 ZINC000587234533 HG Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1OC ZINC000587234772 HG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234777 HG Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4c(C(=O)OC)ccnc4[nH]3)c2)c1 ZINC000587234841 HG Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 ZINC000587234844 HG Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC(C)CC1 ZINC000587234931 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c12 ZINC000587235415 HG Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C(=O)OC)ncc4[nH]3)c2)c1 ZINC000587235857 HG Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587236028 HG Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587236629 HG Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1OC ZINC000587236660 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC(O)CC1 ZINC000587236687 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CCC(O)CC1 ZINC000587236711 HG Annotated Anodyne CCOC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587237223 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)ncc3[nH]2)CCC(O)CC1 ZINC000587237233 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC(O)CC1 ZINC000587237536 HG Annotated Bother CC(C)(C)OC(=O)NC1(c2nc3cncc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237779 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(Br)nc3[nH]2)CCC(O)CC1 ZINC000587237792 HG Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 ZINC000587237824 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccnc(Br)c3[nH]2)CCC(O)CC1 ZINC000587237827 HG Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)nc2cc1OC ZINC000587237837 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(Br)cnc3[nH]2)CCC(O)CC1 ZINC000587237847 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238172 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238174 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238176 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238177 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238337 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238338 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238339 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238340 HG Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(N)c(N)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238584 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(N)c(N)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238586 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(N)c(N)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238587 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(N)c(N)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238588 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000587238597 HG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1C ZINC000587238946 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC(=O)Nc3cccc(C)c3C)[nH]c2c1 ZINC000587238960 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239544 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239545 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239546 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(N)=O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239547 HG Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3cc(I)cnc3[nH]2)c1C ZINC000587239820 HG Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)c(O)c1 ZINC000587240221 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=N)N)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240825 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=N)N)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240826 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=N)N)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240827 HG Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=N)N)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240828 HG Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(O)c1 ZINC000587240947 HG Annotated Anodyne NC(=O)Nc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587241460 HG Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c12 ZINC000587241781 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c2c1 ZINC000587242201 HG Annotated Anodyne CC1=C(c2ccc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c3c2)NNC(=O)C1 ZINC000587244235 HG Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1OC ZINC000587244877 HG Annotated Anodyne CCCCCOc1cc2nc(CCOCCOCCN)[nH]c2cc1Br ZINC000587245658 HG Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000587245674 HG Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000587245678 HG Annotated Anodyne CCCCOc1cc2nc(CCOCCOCCN)[nH]c2cc1Br ZINC000587246201 HG Annotated Anodyne CC(C)CCOc1cc2nc(CCOCCOCCN)[nH]c2cc1Br ZINC000587246737 HG Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(Br)cc(C(=O)O)c3[nH]1)C2 ZINC000587247501 HG Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc(Br)cc(C(=O)O)c3[nH]1)C2 ZINC000587247502 HG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587248104 HG Annotated Anodyne Nc1cccc(C(=O)O)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587248114 HG Annotated Anodyne Nc1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1C(=O)O ZINC000587248146 HG Annotated Anodyne Nc1cccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1C(=O)O ZINC000587248368 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(N)cccc3C(=O)O)nc2c1 ZINC000587248426 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(N)c3C(=O)O)nc2c1 ZINC000587248484 HG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587248675 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c1 ZINC000587248760 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 ZINC000587248981 HG Annotated Anodyne Nc1cc(C(=O)O)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587249914 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 ZINC000587250722 HG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)c(Br)cc3[nH]2)=C1N ZINC000587253396 HG Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(Br)ccc(Br)c3[nH]2)=C1N ZINC000587253485 HG Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cn1 ZINC000587254896 HG Annotated Anodyne Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cn1 ZINC000587255044 HG Annotated Anodyne Nc1ncc(-c2cccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2)cn1 ZINC000587255059 HG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)=C1N ZINC000587255092 HG Annotated Anodyne Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cn1 ZINC000587255122 HG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)=C1N ZINC000587255138 HG Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5=C(N)C(C)(C)OC5=O)[nH]c4c3)o2)cc1 ZINC000587255590 HG Annotated Anodyne COC(=O)c1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587255748 HG Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)=C1N ZINC000587255788 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCC(N)CC4)[nH]c3c2)cc1 ZINC000587256880 HG Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587258383 HG Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587259376 HG Annotated Bother CCCOc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587259711 HG Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br ZINC000587259721 HG Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587259822 HG Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2cc1Br ZINC000587259848 HG Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)CCCNC(N)=O)[nH]c2cc1Br ZINC000587260117 HG Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587260485 HG Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587260528 HG Annotated Anodyne COc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587261183 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587261302 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587261303 HG Annotated Bother Cc1cc(C#Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1[N+](=O)[O-] ZINC000587261541 HG Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261544 HG Annotated Mild O=CC(C=O)c1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587261571 HG Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587261629 HG Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2c1 ZINC000587261762 HG Annotated Mild Nc1ccc(-c2ccc3nc(-c4ccc(C(C=O)C=O)c([N+](=O)[O-])c4)[nH]c3c2)cc1N ZINC000587261776 HG Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000587261789 HG Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587261863 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587261864 HG Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587261895 HG Annotated Bother Cc1cc(C#Cc2nc3cc(I)cnc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261927 HG Annotated Mild O=CC(C=O)c1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1[N+](=O)[O-] ZINC000587262247 HG Annotated Mild O=CC(C=O)c1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262284 HG Annotated Mild Cc1nc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc2cc1Br ZINC000587262322 HG Annotated Mild COCCNc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262356 HG Annotated Bother Cc1cc(C#Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262467 HG Annotated Mild COc1cc(OCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1[N+](=O)[O-] ZINC000587262510 HG Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c2c1 ZINC000587262694 HG Annotated Mild Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(I)cnc3[nH]2)c1 ZINC000587262800 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(Cl)cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262941 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587263052 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587263053 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(F)c(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263106 HG Annotated Bother COc1cc(OCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1[N+](=O)[O-] ZINC000587263221 HG Annotated Bother CC1=C(c2ccc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 ZINC000587263290 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cncc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263342 HG Annotated Bother N#Cc1cc(Cl)c2[nH]c(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)nc2c1 ZINC000587263395 HG Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263397 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263400 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263402 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263404 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(Cl)nc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263432 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccnc(Cl)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263441 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ccc(F)c(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263448 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587263457 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587263458 HG Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(F)cc(F)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263662 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263667 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263668 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263669 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263670 HG Annotated Bother O=C(O)c1cc(Br)cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263818 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587263898 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587263900 HG Annotated Bother Nc1ccc(-c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)cc1N ZINC000587263930 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264040 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264041 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264042 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264043 HG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587264067 HG Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587264068 HG Annotated Mild C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587264069 HG Annotated Mild C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587264070 HG Annotated Mild COCCOc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264198 HG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587264205 HG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c([N+](=O)[O-])c1 ZINC000587264220 HG Annotated Bother COC(=O)c1cc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1OC ZINC000587264237 HG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587264280 HG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587264300 HG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587264301 HG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587264303 HG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587264305 HG Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1F ZINC000587264327 HG Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1F ZINC000587264328 HG Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1F ZINC000587264329 HG Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1F ZINC000587264330 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587264596 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264748 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264749 HG Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587264751 HG Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587264752 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587264824 HG Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c([N+](=O)[O-])c1 ZINC000587265060 HG Annotated Bother CCS(=O)(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587265127 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cccc(I)c2[nH]1 ZINC000587265189 HG Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000587265690 HG Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(I)cc2[nH]1 ZINC000587265919 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587266019 HG Annotated Bother Cc1cnc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587266091 HG Annotated Bother Cc1cnc(Cl)c2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587266092 HG Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587266093 HG Annotated Bother Cc1cnc(Cl)c2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587266094 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266192 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266195 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587266322 HG Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587266324 HG Annotated Bother COC(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1OC ZINC000587266369 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587266391 HG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc3ccccc3c2[nH]1 ZINC000587266396 HG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc3ccccc3c2[nH]1 ZINC000587266401 HG Annotated Bother COCCNc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587266409 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587266434 HG Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587266540 HG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc3ccccc3c2[nH]1 ZINC000587266592 HG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnc3ccccc3c2[nH]1 ZINC000587266593 HG Annotated Bother Cc1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1[N+](=O)[O-] ZINC000587266612 HG Annotated Bother Cc1cc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1[N+](=O)[O-] ZINC000587266613 HG Annotated Bother Cc1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc2cc1[N+](=O)[O-] ZINC000587266614 HG Annotated Bother Cc1cc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc2cc1[N+](=O)[O-] ZINC000587266615 HG Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1C ZINC000587266773 HG Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1C ZINC000587266774 HG Annotated Bother COc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1C ZINC000587266775 HG Annotated Bother COc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1C ZINC000587266777 HG Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1 ZINC000587266793 HG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587266938 HG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587266939 HG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587266941 HG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587266943 HG Annotated Bother COC(=O)c1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2n1 ZINC000587267262 HG Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3ncccc3c2[nH]1 ZINC000587267304 HG Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3ncccc3c2[nH]1 ZINC000587267306 HG Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3ncccc3c2[nH]1 ZINC000587267308 HG Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc3ncccc3c2[nH]1 ZINC000587267309 HG Annotated Bother COC(=O)c1cc(Br)c2[nH]c(Cc3c([N+](=O)[O-])cnn3C(C)C)nc2c1 ZINC000587267316 HG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587267368 HG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 ZINC000587267369 HG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587267379 HG Annotated Bother Cc1nn(Cc2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267428 HG Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587267546 HG Annotated Clean Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587267547 HG Annotated Clean Nc1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587267577 HG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(I)c2[nH]1 ZINC000587267830 HG Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(C)c1[N+](=O)[O-] ZINC000587268060 HG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)c([N+](=O)[O-])c3)nc2c1 ZINC000587268169 HG Annotated Bother COC(=O)c1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2cn1 ZINC000587268262 HG Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc12 ZINC000587268284 HG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587268380 HG Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(I)cc2[nH]1 ZINC000587268475 HG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(I)c2[nH]1 ZINC000587268654 HG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)nn2)c1 ZINC000587268845 HG Annotated Bother Cc1nc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2cc1Br ZINC000587268852 HG Annotated Bother O=C(O)c1cc(F)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587268893 HG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587269040 HG Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(Br)c(O)c4[nH]3)nn2)c1 ZINC000587269276 HG Annotated Bother CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587269348 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587269406 HG Annotated Clean N[C@@H](CCc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269552 HG Annotated Bother N[C@@H](CCc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269585 HG Annotated Bother N[C@H](N=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000587269674 HG Annotated Bother N[C@@H](N=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1 ZINC000587269675 HG Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 ZINC000587269737 HG Annotated Bother Cc1c(Br)cnc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc12 ZINC000587269751 HG Annotated Bother N[C@@H](CCc1nc2cccc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587269883 HG Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 ZINC000587270163 HG Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000587270275 HG Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(I)cc2[nH]1 ZINC000587270419 HG Annotated Bother N#Cc1cc(Br)c2[nH]c(COc3ccc([N+](=O)[O-])cc3C=O)nc2c1 ZINC000587270467 HG Annotated Mild O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587270476 HG Annotated Bother N[C@@H](CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270514 HG Annotated Bother N[C@@H](CCc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270531 HG Annotated Bother N[C@@H](CCc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270538 HG Annotated Bother N[C@@H](CCc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270540 HG Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2c1 ZINC000587270570 HG Annotated Mild N#Cc1nc(Cl)cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587270671 HG Annotated Mild O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(F)cnc(Br)c4[nH]3)nn2)c1 ZINC000587270695 HG Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4c(cc3[nH]2)OCCO4)CC1 ZINC000587270802 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(I)c2[nH]1 ZINC000587270958 HG Annotated Bother O=C1CCc2cc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3cc2N1 ZINC000587271010 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587271024 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587271049 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587271054 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587271066 HG Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587271071 HG Annotated Bother N[C@@H](CCc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271074 HG Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 ZINC000587271090 HG Annotated Bother O=C(Cl)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587272753 HG Annotated Reactive O=C(COc1ccc([N+](=O)[O-])cc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587272904 HG Annotated Bother CC1(C)[C@]2(C)CC[C@@]1(C(=O)c1c(CO)oc3cc(Br)cnc13)OC2=O ZINC000587273092 HG Annotated Anodyne CC1(C)[C@]2(C(=O)c3c(CO)oc4cc(Br)cnc34)CC[C@@]1(C)C(=O)O2 ZINC000587273095 HG Annotated Anodyne Cc1ccc2c(ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c32)n1 ZINC000587273198 HG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CCCn3ccc([N+](=O)[O-])n3)nc2c1 ZINC000587273486 HG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587273546 HG Annotated Bother O=C(c1ccc(Br)cn1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273689 HG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)C1(Br)CCOCC1 ZINC000587273737 HG Annotated Anodyne O=C(c1cncc(Br)c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587273952 HG Annotated Anodyne O=C(COc1ccccc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587274019 HG Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c21 ZINC000587274076 HG Annotated Clean O=C(Cc1ccc2c(c1)OCCO2)c1c(CO)oc2cc(Br)cnc12 ZINC000587274084 HG Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587274590 HG Annotated Clean C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587274593 HG Annotated Clean Cc1cc([N+](=O)[O-])nn1CCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274662 HG Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587274724 HG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587275323 HG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)n3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587275324 HG Annotated Bother Cn1ncc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1C(F)(F)F ZINC000587275459 HG Annotated Anodyne Cn1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c(C(F)(F)F)n1 ZINC000587275564 HG Annotated Anodyne Cn1nc(C(F)(F)F)cc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275922 HG Annotated Anodyne O=C(c1nn2cccnc2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587275990 HG Annotated Anodyne O=C(c1nnc(-c2ccccc2)o1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276013 HG Annotated Anodyne O=C(CCS(=O)(=O)c1ccccc1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276157 HG Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587276305 HG Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587276306 HG Annotated Bother Cc1cc(C(F)(F)F)nn1CC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276311 HG Annotated Anodyne O=C(c1cnc(Cl)nc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276321 HG Annotated Anodyne O=C(c1cc(Cl)nc(Cl)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276355 HG Annotated Anodyne C[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276492 HG Annotated Bother C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276496 HG Annotated Bother O=C(c1cc2ccccc2oc1=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276600 HG Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276601 HG Annotated Anodyne O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276677 HG Annotated Bother O=C(c1cc(Cl)nnc1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276712 HG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000587277035 HG Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000587277037 HG Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277134 HG Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277135 HG Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277136 HG Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)NN)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277137 HG Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587277272 HG Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000587277273 HG Annotated Bother CS(=O)(=O)c1cc(C(=O)c2coc3ccc(Cl)cc23)cc(S(C)(=O)=O)c1 ZINC000587278865 HG Annotated Anodyne O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280270 HG Annotated Bother CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321204 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321205 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321206 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321207 HG Annotated Reactive COC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324359 HG Annotated Reactive COC(=O)[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324360 HG Annotated Reactive COC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324361 HG Annotated Reactive COC(=O)[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324363 HG Annotated Reactive CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587326424 HG Annotated Reactive CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587326429 HG Annotated Reactive CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587326431 HG Annotated Reactive CC(C)N1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587326433 HG Annotated Reactive CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587326767 HG Annotated Reactive CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587326777 HG Annotated Reactive CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587326781 HG Annotated Reactive CCCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587326783 HG Annotated Reactive CCOC(=O)C(=O)C[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327694 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327700 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327701 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327702 HG Annotated Anodyne CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587328663 HG Annotated Reactive CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587328668 HG Annotated Reactive CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587328669 HG Annotated Reactive CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587328670 HG Annotated Reactive Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331026 HG Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331027 HG Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331028 HG Annotated Anodyne Cc1nc(O)c(C(N)=O)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331029 HG Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331665 HG Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331668 HG Annotated Anodyne CC(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331670 HG Annotated Anodyne CC(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331673 HG Annotated Anodyne C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587332327 HG Annotated Reactive C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587332329 HG Annotated Reactive C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Cl)C1=O ZINC000587332331 HG Annotated Reactive C=CCN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Cl)C1=O ZINC000587332334 HG Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(F)c(F)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587332468 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)c(F)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587332478 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)c(F)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587332480 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)c(F)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587332486 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(CO)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587333157 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(CO)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587333160 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(CO)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587333164 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(CO)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587333169 HG Annotated Anodyne CN(C)c1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334267 HG Annotated Anodyne CN(C)c1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334270 HG Annotated Anodyne CN(C)c1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334273 HG Annotated Anodyne CN(C)c1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334276 HG Annotated Anodyne C[C@]1(CC(=O)Nc2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335380 HG Annotated Anodyne C[C@@]1(CC(=O)Nc2ncccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335383 HG Annotated Anodyne C[C@]1(CC(=O)Nc2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335385 HG Annotated Anodyne C[C@@]1(CC(=O)Nc2ncccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335388 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336549 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336555 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336559 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336563 HG Annotated Anodyne CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337223 HG Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337234 HG Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337242 HG Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337248 HG Annotated Reactive CCOC(=O)[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337602 HG Annotated Anodyne CCOC(=O)[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337603 HG Annotated Anodyne CCOC(=O)[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337604 HG Annotated Anodyne CCOC(=O)[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337605 HG Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337777 HG Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337780 HG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337787 HG Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337790 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338997 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338998 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338999 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339002 HG Annotated Anodyne COC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339480 HG Annotated Anodyne COC(=O)C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339492 HG Annotated Anodyne COC(=O)C[C@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339495 HG Annotated Anodyne COC(=O)C[C@@]1(c2cnccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339499 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339869 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339870 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339871 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339872 HG Annotated Anodyne Cc1cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 ZINC000587340525 HG Annotated Anodyne Cc1cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)no1 ZINC000587340528 HG Annotated Anodyne Cc1cc(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 ZINC000587340531 HG Annotated Anodyne Cc1cc(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)no1 ZINC000587340534 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340572 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340576 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340579 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340582 HG Annotated Anodyne COC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341245 HG Annotated Anodyne COC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341246 HG Annotated Anodyne COC(=O)C[C@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341248 HG Annotated Anodyne COC(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341250 HG Annotated Anodyne C[C@]1(CCn2cnc([N+](=O)[O-])n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341598 HG Annotated Bother C[C@@]1(CCn2cnc([N+](=O)[O-])n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341600 HG Annotated Bother C[C@@]1(CCn2cnc([N+](=O)[O-])n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341602 HG Annotated Bother C[C@]1(CCn2cnc([N+](=O)[O-])n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341603 HG Annotated Bother COC(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341909 HG Annotated Anodyne COC(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341910 HG Annotated Anodyne COC(OC)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341911 HG Annotated Anodyne COC(OC)[C@@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341912 HG Annotated Anodyne COC(OC)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341913 HG Annotated Anodyne COC(OC)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341914 HG Annotated Anodyne CNC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341939 HG Annotated Clean CNC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341940 HG Annotated Clean CNC[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341942 HG Annotated Clean CNC[C@]1(c2ccc(O)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341943 HG Annotated Clean Cn1nc(C(=O)O)c2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342232 HG Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342233 HG Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342237 HG Annotated Anodyne Cn1nc(C(=O)O)c2c1CC[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342239 HG Annotated Anodyne CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C(=O)OC)C1 ZINC000587342599 HG Annotated Anodyne CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C(=O)OC)C1 ZINC000587342600 HG Annotated Anodyne CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C(=O)OC)C1 ZINC000587342601 HG Annotated Anodyne CCN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C(=O)OC)C1 ZINC000587342602 HG Annotated Anodyne COCCN1C(=O)C[C@@]2(C=C1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343135 HG Annotated Anodyne COCCN1C(=O)C[C@]2(C=C1C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343138 HG Annotated Anodyne COCCN1C(=O)C[C@]2(C=C1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343140 HG Annotated Anodyne COCCN1C(=O)C[C@@]2(C=C1C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343142 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343739 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343743 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343744 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343745 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587343853 HG Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587343860 HG Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587343862 HG Annotated Mild O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCCC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587343867 HG Annotated Mild O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344003 HG Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344006 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H]3CN[C@@H](C(=O)O)[C@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587344007 HG Annotated Anodyne O=C(O)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344008 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2CC[C@]3(C[C@@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344009 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC[C@H]3CN[C@@H](C(=O)O)[C@@H]3C2)[C@@H]1c1ccc(F)cc1 ZINC000587344010 HG Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587344011 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2CC[C@]3(C[C@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587344012 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587344232 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587344233 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587344235 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587344237 HG Annotated Anodyne Cn1ccnc1C1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344261 HG Annotated Anodyne Cn1ccnc1C1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344262 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344666 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344667 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344668 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344669 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344895 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2[C@@H]1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344896 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587344899 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC[C@H]3[C@H]2CN[C@H]3C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587344903 HG Annotated Anodyne CC12CN3CCN(C1)CC(C)(C3)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345052 HG Annotated Anodyne CC12CN3CCN(C1)CC(C)(C3)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345054 HG Annotated Anodyne CCOC(=O)CC[C@]1([C@H](C)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345137 HG Annotated Anodyne CCOC(=O)CC[C@]1([C@@H](C)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345142 HG Annotated Anodyne CCOC(=O)CC[C@]1([C@H](C)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345145 HG Annotated Anodyne CCOC(=O)CC[C@]1([C@@H](C)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345149 HG Annotated Anodyne Cn1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587345206 HG Annotated Anodyne Cn1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587345207 HG Annotated Anodyne Cn1cc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587345208 HG Annotated Anodyne Cn1cc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587345211 HG Annotated Anodyne COc1cccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587345993 HG Annotated Anodyne COc1cccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587345997 HG Annotated Anodyne COc1cccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587345999 HG Annotated Anodyne COc1cccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346001 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]21 ZINC000587346299 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]21 ZINC000587346300 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587346302 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]3CN[C@@H](C(=O)O)[C@@H]32)[C@@H]1c1ccc(F)cc1 ZINC000587346304 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346523 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346524 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346526 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346530 HG Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347110 HG Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347114 HG Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347118 HG Annotated Anodyne O=C(O)c1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347122 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347155 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347160 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347161 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347162 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(CC[C@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587347294 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3[C@H](CN[C@H]3C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587347298 HG Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(CC[C@@H]21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587347301 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H]3[C@H](CN[C@H]3C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587347304 HG Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587347407 HG Annotated Anodyne CC1(C)OC(=O)C([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587347414 HG Annotated Anodyne CC1(C)OC(=O)C([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587347416 HG Annotated Anodyne CC1(C)OC(=O)C([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O1 ZINC000587347418 HG Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)C2 ZINC000587347694 HG Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)C2 ZINC000587347696 HG Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)C2 ZINC000587347698 HG Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)C2 ZINC000587347701 HG Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348261 HG Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348265 HG Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348268 HG Annotated Anodyne O=C(O)c1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348270 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000587348300 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2nc[nH]n2)[C@@H]1c1ccc(F)cc1 ZINC000587348304 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccnc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 ZINC000587348307 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccnc2)(c2nc[nH]n2)[C@H]1c1ccc(F)cc1 ZINC000587348309 HG Annotated Anodyne O=C(O)c1cc2n(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348331 HG Annotated Anodyne O=C(O)c1cc2n(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348333 HG Annotated Anodyne O=C(O)c1cc2n(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348336 HG Annotated Anodyne O=C(O)c1cc2n(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348340 HG Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348425 HG Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348426 HG Annotated Anodyne COC(=O)C[C@@]1(C(C)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348428 HG Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348431 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)[C@@H]1c1ccc(F)cc1 ZINC000587350610 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)[C@H]1c1ccc(F)cc1 ZINC000587350611 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)[C@@H]1c1ccc(F)cc1 ZINC000587350612 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CN3[C@@H]4C[C@H](O)C[C@H]3C[C@@H]2C4)[C@H]1c1ccc(F)cc1 ZINC000587350613 HG Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351408 HG Annotated Anodyne COc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351414 HG Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351416 HG Annotated Anodyne COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351421 HG Annotated Anodyne COC(=O)CC1(O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351673 HG Annotated Anodyne COC(=O)CC1(O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351676 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587351874 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587351879 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587351885 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587351892 HG Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352288 HG Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352289 HG Annotated Anodyne CCOC(=O)C[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352290 HG Annotated Anodyne CCOC(=O)C[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352291 HG Annotated Anodyne O=C(O)CCC1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353155 HG Annotated Anodyne O=C(O)CCC1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353158 HG Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355292 HG Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355294 HG Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355296 HG Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355299 HG Annotated Anodyne O=C(O)[C@H]1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355976 HG Annotated Anodyne O=C(O)[C@H]1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587355977 HG Annotated Anodyne O=C(O)[C@H]1CC[C@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355978 HG Annotated Anodyne O=C(O)[C@H]1CC[C@@]2(C[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587355979 HG Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356586 HG Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356587 HG Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356588 HG Annotated Anodyne CCOC(=O)[C@@H]1COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356589 HG Annotated Anodyne COC(=O)[C@]1(C)COCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356893 HG Annotated Anodyne COC(=O)[C@]1(C)COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356894 HG Annotated Anodyne COC(=O)[C@]1(C)COCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356895 HG Annotated Anodyne COC(=O)[C@]1(C)COCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356896 HG Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357000 HG Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357001 HG Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357002 HG Annotated Anodyne CCOC(=O)[C@@H]1CCOC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357003 HG Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358829 HG Annotated Clean O=C1c2ccc(O)cc2O[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358832 HG Annotated Clean O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@@H]1c1ccc(F)cc1 ZINC000587358837 HG Annotated Clean O=C1c2ccc(O)cc2O[C@](Cc2ccc(O)c(O)c2)(C(=O)O)[C@H]1c1ccc(F)cc1 ZINC000587358841 HG Annotated Clean O=C(O)C1C[C@H]2COC[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360640 HG Annotated Anodyne O=C(O)C1C[C@H]2COC[C@@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360642 HG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361450 HG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361452 HG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361453 HG Annotated Anodyne CCOC(=O)[C@@H]1CC[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361455 HG Annotated Anodyne COc1cccc(-c2cc(CC(=O)N3CCNC(=O)C3)nc3c2oc2ccccc23)c1 ZINC000587362004 HG Annotated Anodyne COc1cccc(-c2c(C[C@H](N)C(=O)O)c(C=[N+]=[N-])nc3c2oc2ccccc23)c1 ZINC000587363991 HG Annotated Clean Oc1nc(O)c2ccc(-c3cc(Br)c(O)c(Br)c3)nc2n1 ZINC000587365248 HG Annotated Anodyne Oc1nc(O)c2ccc(-c3cc(Br)cc(Br)c3O)nc2n1 ZINC000587365318 HG Annotated Anodyne Nc1c(Br)cc(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587365453 HG Annotated Anodyne O=C(O)c1c(-c2ccc3c(O)nc(O)nc3n2)cnc2ccc(Br)cc12 ZINC000587365553 HG Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)-c1cnn(-c2cccc(Br)c2)c1CC3 ZINC000587367107 HG Annotated Anodyne CC(C)[C@H](Br)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587367363 HG Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587367366 HG Annotated Reactive Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CCc1ccc2c(O)nc(O)nc2n1 ZINC000587368429 HG Annotated Anodyne O=[N+]([O-])c1c(Cl)c(Cl)c(-c2ccc3c(O)nc(O)nc3n2)c2c1OCCO2 ZINC000587368447 HG Annotated Bother O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368598 HG Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587368599 HG Annotated Anodyne COC(=O)C(C)(C)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCCl)cc1 ZINC000587368813 HG Annotated Reactive CC(C)[C@]1(CS(=O)(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368965 HG Annotated Anodyne CC(C)[C@]1(CS(=O)(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368976 HG Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587368978 HG Annotated Anodyne CC(C)[C@@]1(CS(=O)(=O)N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587368979 HG Annotated Anodyne Cc1nc(Cl)c(I)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587369534 HG Annotated Anodyne CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1I ZINC000587369707 HG Annotated Anodyne Oc1nc(O)c2ccc(-c3c[nH]c4cccc(I)c34)nc2n1 ZINC000587369955 HG Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370242 HG Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587370243 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)O2 ZINC000587370726 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc3c(cc1NC(=O)CCl)OCO3)O2 ZINC000587370729 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2c(C)cc(Br)cc21 ZINC000587371108 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2c(C)cc(Br)cc21 ZINC000587371110 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587372369 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587372370 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)O2 ZINC000587372371 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)O2 ZINC000587372372 HG Annotated Reactive C#CCN1C(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587372586 HG Annotated Mild C#CCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc21 ZINC000587372590 HG Annotated Mild COc1ccc(Br)c2c1NC(=O)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372693 HG Annotated Anodyne COc1ccc(Br)c2c1NC(=O)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587372695 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(C)c2c(Br)cc(C)cc21 ZINC000587373825 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(C)c2c(Br)cc(C)cc21 ZINC000587373826 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587373875 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587373879 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587373882 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C(=O)O)Oc3ccc(Br)cc31)O2 ZINC000587373885 HG Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587374053 HG Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587374062 HG Annotated Anodyne CCn1cc(Br)c([C@@]2(/C=C/N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587374064 HG Annotated Anodyne CCn1cc(Br)c([C@]2(/C=C\N(C)C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587374065 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ncc(Br)cn3)CC1)O2 ZINC000587374350 HG Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374588 HG Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374592 HG Annotated Anodyne COC(=O)c1cc([C@@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587374777 HG Annotated Reactive COC(=O)c1cc([C@]2(CBr)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587374779 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C#N)c(O)nc2CC[C@H]1Br ZINC000587374852 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C#N)c(O)nc2CC[C@@H]1Br ZINC000587374855 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C#N)c(O)nc2CC[C@@H]1Br ZINC000587374859 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C#N)c(O)nc2CC[C@H]1Br ZINC000587374862 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)O2 ZINC000587377052 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)C(=O)NC1CC1)(c1ccc(Cl)cc1)O2 ZINC000587377054 HG Annotated Anodyne C[C@@]1(C2CCS(=O)(=O)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377237 HG Annotated Anodyne C[C@@]1(C2CCS(=O)(=O)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377243 HG Annotated Anodyne C[C@]1(C2CCS(=O)(=O)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377245 HG Annotated Anodyne C[C@]1(C2CCS(=O)(=O)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377248 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(CCO)CC3)cc1Cl)O2 ZINC000587377375 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(CCO)CC3)cc1Cl)O2 ZINC000587377376 HG Annotated Anodyne COc1ccc(Br)cc1[C@@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377548 HG Annotated Anodyne COc1ccc(Br)cc1[C@]1(C(=O)O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587377550 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)O2 ZINC000587378295 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)O2 ZINC000587378300 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)O2 ZINC000587378677 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNC(=O)CCC(=O)O)(c1ccccc1Cl)O2 ZINC000587378681 HG Annotated Anodyne CC1(C)C[C@]2(CS(=O)(=O)C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378855 HG Annotated Anodyne CC1(C)C[C@@]2(CS(=O)(=O)C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378857 HG Annotated Anodyne CC1(C)C[C@@]2(CS(=O)(=O)C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587378858 HG Annotated Anodyne CC1(C)C[C@]2(CS(=O)(=O)C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587378859 HG Annotated Anodyne CC(=O)NCCc1cc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1F ZINC000587381355 HG Annotated Reactive CC(=O)NCCc1cc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)ccc1F ZINC000587381356 HG Annotated Reactive CC(=O)NCCc1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587382870 HG Annotated Reactive CC(=O)NCCc1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587382872 HG Annotated Reactive COC(=O)C(=O)C[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383196 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383202 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383378 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(OC(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383380 HG Annotated Anodyne COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S(=O)(=O)C(F)F ZINC000587384196 HG Annotated Anodyne COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1S(=O)(=O)C(F)F ZINC000587384203 HG Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587384639 HG Annotated Anodyne CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587384640 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccc(F)c3)nn3cc[nH]c(=O)c13)O2 ZINC000587384733 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccc(F)c3)nn3cc[nH]c(=O)c13)O2 ZINC000587384734 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)O2 ZINC000587385660 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)O2 ZINC000587385664 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)O2 ZINC000587385665 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)O2 ZINC000587385666 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc(I)c(C)n1)O2 ZINC000587386086 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc(I)c(C)n1)O2 ZINC000587386087 HG Annotated Anodyne COc1cc(I)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587386109 HG Annotated Anodyne COc1cc(I)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587386110 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)ccnc1N(C)C)O2 ZINC000587386417 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)ccnc1N(C)C)O2 ZINC000587386575 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(I)c(O)nc1C)O2 ZINC000587386580 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(I)c(O)nc1C)O2 ZINC000587386584 HG Annotated Anodyne COc1nccc(I)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386599 HG Annotated Anodyne COc1nccc(I)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386600 HG Annotated Anodyne CCn1cc(I)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587387037 HG Annotated Anodyne CCn1cc(I)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587387042 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1ncc(I)c1C)O2 ZINC000587387453 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1ncc(I)c1C)O2 ZINC000587387454 HG Annotated Anodyne CCn1ncc(I)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387553 HG Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387554 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc(I)cc1)O2 ZINC000587387976 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc(I)cc1)O2 ZINC000587387977 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC1)O2 ZINC000587388115 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)O2 ZINC000587388681 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)O2 ZINC000587388682 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000587388698 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000587388699 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000587388700 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000587388701 HG Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388735 HG Annotated Anodyne CC(=O)CC(=O)Nc1ccc(NC(=O)C[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388740 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587388783 HG Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000587388799 HG Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587388891 HG Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCn1cc([N+](=O)[O-])cn1 ZINC000587388892 HG Annotated Bother COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389136 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389147 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C(=O)O)n(C)c1)(c1ccccc1C(=O)O)O2 ZINC000587389194 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C(=O)O)n(C)c1)(c1ccccc1C(=O)O)O2 ZINC000587389199 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c(N)c21 ZINC000587389812 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)O2 ZINC000587389816 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc(C(=O)O)c(N)c21 ZINC000587389822 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)O2 ZINC000587389834 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)O2 ZINC000587389835 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1ccnn1C)O2 ZINC000587389836 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(C(=O)O)cn1 ZINC000587389996 HG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(C(=O)O)cn1 ZINC000587389999 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2N ZINC000587390038 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc(C(=O)O)c2N ZINC000587390041 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)O2 ZINC000587390231 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)O2 ZINC000587390232 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)O2 ZINC000587390234 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)O2 ZINC000587390236 HG Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390244 HG Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390247 HG Annotated Anodyne COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@H](C)C(=O)O ZINC000587390337 HG Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@@H](C)C(=O)O ZINC000587390340 HG Annotated Bother COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@@H](C)C(=O)O ZINC000587390342 HG Annotated Bother COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O[C@H](C)C(=O)O ZINC000587390344 HG Annotated Bother Cc1ccc([C@]2(C[C@@H](C(=O)O)n3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390793 HG Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)n3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390801 HG Annotated Anodyne Cc1ccc([C@@]2(C[C@@H](C(=O)O)n3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390803 HG Annotated Anodyne Cc1ccc([C@@]2(C[C@H](C(=O)O)n3cncn3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587390805 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587390872 HG Annotated Bother COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1ccc([N+](=O)[O-])n1 ZINC000587390874 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(CC(N)=O)c1N)O2 ZINC000587391035 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(CC(N)=O)c1N)O2 ZINC000587391036 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc31)O2 ZINC000587391071 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCNCC3)Oc3cn(C(C)(C)C)nc31)O2 ZINC000587391074 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587391349 HG Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587391350 HG Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@@H](C)C(=O)O ZINC000587391351 HG Annotated Bother COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O[C@H](C)C(=O)O ZINC000587391352 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])O2 ZINC000587391379 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCCCC(=O)O)ccc1[N+](=O)[O-])O2 ZINC000587391380 HG Annotated Bother COC(=O)c1ccn(COc2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587391570 HG Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587391579 HG Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392589 HG Annotated Anodyne COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392598 HG Annotated Anodyne COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392599 HG Annotated Anodyne COC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392600 HG Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392718 HG Annotated Anodyne CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392719 HG Annotated Anodyne CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392720 HG Annotated Anodyne CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392721 HG Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392786 HG Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392788 HG Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392789 HG Annotated Anodyne CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392791 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@H]1CN(Cc3ccccc3)CCO1)O2 ZINC000587392797 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@@H]1CN(Cc3ccccc3)CCO1)O2 ZINC000587392799 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)([C@H]1CN(Cc3ccccc3)CCO1)O2 ZINC000587392801 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)([C@@H]1CN(Cc3ccccc3)CCO1)O2 ZINC000587392803 HG Annotated Anodyne CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392848 HG Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392849 HG Annotated Anodyne CC(=O)OC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392850 HG Annotated Anodyne CC(=O)OC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587392851 HG Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393069 HG Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393078 HG Annotated Anodyne CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393081 HG Annotated Anodyne CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393083 HG Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C ZINC000587393111 HG Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C ZINC000587393113 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCC1 ZINC000587393181 HG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1CCCC1 ZINC000587393187 HG Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393320 HG Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393321 HG Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393989 HG Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587393990 HG Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1=O ZINC000587394103 HG Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1=O ZINC000587394104 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1cccc(C)n1)(c1ccc3ncnn3c1)O2 ZINC000587394214 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1cccc(C)n1)(c1ccc3ncnn3c1)O2 ZINC000587394215 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCCCC3)nc3ccccn3c1=O)O2 ZINC000587394384 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCCCC3)nc3ccccn3c1=O)O2 ZINC000587394385 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)O2 ZINC000587394849 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1OCc1nc(C)no1)OCO3)O2 ZINC000587394851 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394858 HG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(OC)cc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394860 HG Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394864 HG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587394867 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C)O2 ZINC000587394934 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C)O2 ZINC000587394939 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C)O2 ZINC000587394940 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C)O2 ZINC000587394942 HG Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395245 HG Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587395246 HG Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)CC1 ZINC000587395526 HG Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)CC1 ZINC000587395527 HG Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395759 HG Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 ZINC000587395760 HG Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395761 HG Annotated Anodyne CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395762 HG Annotated Anodyne CCOC(=O)[C@H]1CCN(Cc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395763 HG Annotated Anodyne CCOC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587395764 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCN(CC(=O)OCc3ccccc3)CC1)O2 ZINC000587395815 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCN(CC(=O)OCc3ccccc3)CC1)O2 ZINC000587395817 HG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396149 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396150 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396151 HG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396152 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396504 HG Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396505 HG Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396506 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396507 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396848 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396852 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587396917 HG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(N(C)C)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587396918 HG Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587396919 HG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587396920 HG Annotated Anodyne CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396943 HG Annotated Anodyne CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396944 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]3C1)O2 ZINC000587397213 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]3C1)O2 ZINC000587397214 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]3C1)O2 ZINC000587397215 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]3C1)O2 ZINC000587397216 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 ZINC000587397217 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 ZINC000587397218 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)O2 ZINC000587397219 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)O2 ZINC000587397220 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587397328 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587397329 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587397330 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)O2 ZINC000587397331 HG Annotated Anodyne COc1c2c(c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c3c1OCO3)CCN(C)C2 ZINC000587397503 HG Annotated Anodyne COc1c2c(c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c3c1OCO3)CCN(C)C2 ZINC000587397504 HG Annotated Anodyne COc1cc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587397881 HG Annotated Anodyne COc1cc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587397891 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 ZINC000587397910 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 ZINC000587397912 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)N3CCOCC3)c3ccccc13)O2 ZINC000587398371 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)N3CCOCC3)c3ccccc13)O2 ZINC000587398372 HG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398381 HG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 ZINC000587398382 HG Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398706 HG Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398709 HG Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCCN1CCOCC1 ZINC000587398924 HG Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCCN1CCOCC1 ZINC000587398926 HG Annotated Anodyne COCCOCCOCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399869 HG Annotated Anodyne COCCOCCOCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587399874 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400147 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400150 HG Annotated Anodyne COC(=O)C[C@@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400258 HG Annotated Anodyne COC(=O)C[C@]1(c2ccc(OC)c(OC)c2OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400262 HG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O[C@H](C)C(=O)O ZINC000587400786 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O[C@H](C)C(=O)O ZINC000587400787 HG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587400788 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1O[C@@H](C)C(=O)O ZINC000587400789 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 ZINC000587401180 HG Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 ZINC000587401182 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401306 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401307 HG Annotated Anodyne COc1cc(OC)c([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401320 HG Annotated Anodyne COc1cc(OC)c([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587401322 HG Annotated Anodyne COC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401352 HG Annotated Anodyne COC(=O)C[C@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401353 HG Annotated Anodyne COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCOCC1 ZINC000587401684 HG Annotated Anodyne COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OCCN1CCOCC1 ZINC000587401685 HG Annotated Anodyne COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587401823 HG Annotated Anodyne COc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587401825 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402525 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402528 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 ZINC000587404431 HG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 ZINC000587404432 HG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c21 ZINC000587404462 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(C)cc2C(=O)c2cc(O)cc(O)c21 ZINC000587404468 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 ZINC000587405207 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(C)cc(O)c2C(=O)c2c(O)cc(O)cc21 ZINC000587405212 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000587405446 HG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 ZINC000587405447 HG Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]31)O2 ZINC000587406612 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1[C@H](OC(=O)c3ccccc3)C[C@@H]3OC(=O)C[C@@H]31)O2 ZINC000587406614 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407548 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587407550 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407702 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(C)(=O)=O)c(Br)c1)O2 ZINC000587407913 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)c(Br)c1)O2 ZINC000587407914 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408074 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CSC#N)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587408075 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21 ZINC000587408105 HG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=[N+]=[N-])C=C(S(=O)(=O)Cl)c2ccccc21 ZINC000587408106 HG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(C)(=O)=O)(c1ccc(Br)cc1)O2 ZINC000587408212 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(C)(=O)=O)(c1ccc(Br)cc1)O2 ZINC000587408215 HG Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408288 HG Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408289 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CS(=O)(=O)c1ccccc1)O2 ZINC000587408312 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CS(=O)(=O)c1ccccc1)O2 ZINC000587408317 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)S(C)(=O)=O)O2 ZINC000587408319 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](Br)S(C)(=O)=O)O2 ZINC000587408324 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)O2 ZINC000587408326 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H](Br)S(C)(=O)=O)O2 ZINC000587408328 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C[C@H](C)CS3(=O)=O)c1)O2 ZINC000587408331 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C[C@H](C)CS3(=O)=O)c1)O2 ZINC000587408335 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N3C[C@@H](C)CS3(=O)=O)c1)O2 ZINC000587408337 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N3C[C@@H](C)CS3(=O)=O)c1)O2 ZINC000587408338 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl ZINC000587408376 HG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=[N+]=[N-])C=Cc2c1cccc2S(=O)(=O)Cl ZINC000587408379 HG Annotated Unstable CC(=O)CC[C@@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408477 HG Annotated Anodyne CC(=O)CC[C@]1(c2ccc(S(C)(=O)=O)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408480 HG Annotated Anodyne CCN(c1ccc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1)S(C)(=O)=O ZINC000587408527 HG Annotated Reactive CCN(c1ccc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)cc1)S(C)(=O)=O ZINC000587408528 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1S(C)(=O)=O)O2 ZINC000587408818 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1S(C)(=O)=O)O2 ZINC000587408820 HG Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587408902 HG Annotated Anodyne CNS(=O)(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587408912 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)O2 ZINC000587409063 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3nncn3C)c([N+](=O)[O-])c1)O2 ZINC000587409067 HG Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409564 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409567 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)N3CCCCC3)c1)O2 ZINC000587409591 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)N3CCCCC3)c1)O2 ZINC000587409595 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)O2 ZINC000587409604 HG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(S(=O)(=O)Cl)cc1)O2 ZINC000587409611 HG Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)O2 ZINC000587409655 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)O2 ZINC000587409658 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)O2 ZINC000587409960 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(N(C)S(C)(=O)=O)cc1)O2 ZINC000587409961 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409982 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409984 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)O2 ZINC000587410353 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)O2 ZINC000587410354 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)O2 ZINC000587410355 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)O2 ZINC000587410356 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)O2 ZINC000587410373 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587411102 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O ZINC000587411107 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)O2 ZINC000587411249 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)O2 ZINC000587411257 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 ZINC000587411258 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCCC3)cc1)O2 ZINC000587411259 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587411406 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(S(C)(=O)=O)c1)O2 ZINC000587411407 HG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587411503 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)O)c(Br)c1)[C@@H](C2)C3=O ZINC000587411507 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS(=O)(=O)c3ccc(Br)cc31)O2 ZINC000587411767 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS(=O)(=O)c3ccc(Br)cc31)O2 ZINC000587411771 HG Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587412103 HG Annotated Anodyne COC(=O)c1cc(Br)c(O)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587412115 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412360 HG Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412361 HG Annotated Anodyne COC(=O)[C@H]1C(=O)N(C(C)C)c2sccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412362 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)N(C(C)C)c2sccc2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587412363 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)O2 ZINC000587412747 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587412853 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O ZINC000587412854 HG Annotated Reactive COC(=O)c1cc(Br)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587412953 HG Annotated Anodyne COC(=O)c1cc(Br)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587412955 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(NC(=O)CCC(=O)O)nc1C)O2 ZINC000587412967 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587413694 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587413696 HG Annotated Reactive COC(=O)c1cc(Br)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587414096 HG Annotated Anodyne COC(=O)c1cc(Br)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 ZINC000587414097 HG Annotated Anodyne COC(=O)[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414435 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)c(C=O)c1)[C@@H](C2)C3=O ZINC000587414437 HG Annotated Reactive COC(=O)[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587414440 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)c(C=O)c1)[C@@H](C2)C3=O ZINC000587414445 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587414837 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)([C@@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587414839 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587414841 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)([C@H]1COc4ccccc4O1)[C@@H](C2)C3=O ZINC000587414845 HG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCCO)cc1Br)[C@@H](C2)C3=O ZINC000587414874 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCO)cc1Br)[C@@H](C2)C3=O ZINC000587414876 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)CBr)ccc1O)[C@@H](C2)C3=O ZINC000587415203 HG Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(C(=O)CBr)ccc1O)[C@@H](C2)C3=O ZINC000587415205 HG Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc(=NC(=O)c3ccccc3)s[nH]1)O2 ZINC000587415791 HG Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(=NC(=O)c3ccccc3)s[nH]1)O2 ZINC000587415792 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416382 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416383 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(C)c(Br)cc41)[C@@H](C2)C3=O ZINC000587416430 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(C)c(Br)cc41)[C@@H](C2)C3=O ZINC000587416431 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ncc(Br)cn4)CC1)[C@@H](C2)C3=O ZINC000587416465 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587416557 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCC(=O)O)[C@@H](C2)C3=O ZINC000587416559 HG Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416587 HG Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587416588 HG Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587416736 HG Annotated Reactive CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587416737 HG Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587416738 HG Annotated Reactive CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587416739 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587416940 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(CCN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587416941 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(Br)cc(C)cc41)[C@@H](C2)C3=O ZINC000587416972 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(Br)cc(C)cc41)[C@@H](C2)C3=O ZINC000587416973 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(OC)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587416980 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(OC)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587416981 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417143 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587417144 HG Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417214 HG Annotated Anodyne COc1cc(Br)c2c(c1)NC(=O)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417215 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cnc4c1OCCO4)[C@@H](C2)C3=O ZINC000587417227 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cnc4c1OCCO4)[C@@H](C2)C3=O ZINC000587417231 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587417262 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4cccc(Br)c41)[C@@H](C2)C3=O ZINC000587417265 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587417511 HG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@H]1Br)[C@@H](C2)C3=O ZINC000587417515 HG Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587417517 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)C[C@@H]1Br)[C@@H](C2)C3=O ZINC000587417519 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417522 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587417524 HG Annotated Anodyne COC(=O)C[C@]1(c2cncc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417783 HG Annotated Anodyne COC(=O)C[C@@]1(c2cncc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417784 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1C(=O)CCC1=O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417991 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1C(=O)CCC1=O)(c1ccccc1Cl)[C@@H](C2)C3=O ZINC000587417993 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)oc4nc(Br)nn14)[C@@H](C2)C3=O ZINC000587418076 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)oc4nc(Br)nn14)[C@@H](C2)C3=O ZINC000587418077 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)C(F)(F)F)c4ccccc41)[C@@H](C2)C3=O ZINC000587418131 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](NC(=O)C(F)(F)F)c4ccccc41)[C@@H](C2)C3=O ZINC000587418135 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccccc41)[C@@H](C2)C3=O ZINC000587418137 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](NC(=O)C(F)(F)F)c4ccccc41)[C@@H](C2)C3=O ZINC000587418139 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(C)cc41)[C@@H](C2)C3=O ZINC000587418188 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(C)cc41)[C@@H](C2)C3=O ZINC000587418189 HG Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418273 HG Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418274 HG Annotated Anodyne C#CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587418400 HG Annotated Mild C#CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587418402 HG Annotated Mild COc1cc2c3c(c1)O[C@@]1(CS(=O)(=O)c4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587418580 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CS(=O)(=O)c4cc(C(F)(F)F)ccc41)[C@@H](C2)C3=O ZINC000587418591 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1NC(=O)CCl)OCO4)[C@@H](C2)C3=O ZINC000587418917 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1NC(=O)CCl)OCO4)[C@@H](C2)C3=O ZINC000587418932 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587418989 HG Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@H](Br)[C@H]2CC[C@@]1(C(=O)O)C2(C)C ZINC000587418991 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1([C@@H](Br)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587418994 HG Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@@H](Br)[C@H]4CC[C@@]1(C(=O)O)C4(C)C)[C@@H](C2)C3=O ZINC000587418996 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(Br)c(C)cc41)[C@@H](C2)C3=O ZINC000587419172 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(Br)c(C)cc41)[C@@H](C2)C3=O ZINC000587419173 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419499 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419507 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419513 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N(C)C)c(Cl)c1)[C@@H](C2)C3=O ZINC000587419515 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419517 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](CNC(=O)CCl)(c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419525 HG Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C)c(Br)c41)[C@@H](C2)C3=O ZINC000587419721 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C)c(Br)c41)[C@@H](C2)C3=O ZINC000587419722 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587419842 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587419846 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419954 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419958 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420003 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccc(Cl)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420004 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(C)c4c(C)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587420052 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(C)c4c(C)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587420054 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587420063 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O ZINC000587420075 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)[C@@H](C2)C3=O ZINC000587420349 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)CC(F)F)cc1)[C@@H](C2)C3=O ZINC000587420358 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420472 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587420474 HG Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587420487 HG Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 ZINC000587420490 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587420491 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O ZINC000587420500 HG Annotated Anodyne COC(=O)C[C@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420780 HG Annotated Anodyne COC(=O)C[C@@]1(c2ccc(C(F)(F)F)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420784 HG Annotated Anodyne CCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(Br)cc21 ZINC000587421044 HG Annotated Anodyne CCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccc(Br)cc21 ZINC000587421045 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4nccc(C(F)(F)F)n4)CC1)[C@@H](C2)C3=O ZINC000587421445 HG Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587422308 HG Annotated Anodyne CCOC(=O)C(F)(F)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1C ZINC000587422310 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1c[nH]c(C(=O)N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587422547 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1c[nH]c(C(=O)N4CCCC4)c1)[C@@H](C2)C3=O ZINC000587422558 HG Annotated Reactive COC(=O)C[C@]1(Cc2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423462 HG Annotated Anodyne COC(=O)C[C@@]1(Cc2cc(F)c(F)cc2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587423463 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587424339 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587424341 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424941 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)C(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587424942 HG Annotated Anodyne CCn1ncc(I)c1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426275 HG Annotated Anodyne CCn1ncc(I)c1[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426276 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(OC)cc1I)[C@@H](C2)C3=O ZINC000587426346 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(OC)cc1I)[C@@H](C2)C3=O ZINC000587426347 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN([C@@H](C(=O)O)c4ccc(F)cc4)CC1)[C@@H](C2)C3=O ZINC000587426653 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN([C@H](C(=O)O)c4ccc(F)cc4)CC1)[C@@H](C2)C3=O ZINC000587426655 HG Annotated Anodyne CCn1cc(I)c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587427014 HG Annotated Anodyne CCn1cc(I)c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587427015 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)ccnc1OC)[C@@H](C2)C3=O ZINC000587427197 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)ccnc1OC)[C@@H](C2)C3=O ZINC000587427200 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1cc(I)c(C)n1)[C@@H](C2)C3=O ZINC000587427501 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1cc(I)c(C)n1)[C@@H](C2)C3=O ZINC000587427503 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(F)c(Br)cc41)[C@@H](C2)C3=O ZINC000587427504 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(F)c(Br)cc41)[C@@H](C2)C3=O ZINC000587427514 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(O)ccc1I)[C@@H](C2)C3=O ZINC000587427565 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(O)ccc1I)[C@@H](C2)C3=O ZINC000587427573 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)ccnc1F)[C@@H](C2)C3=O ZINC000587427605 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)ccnc1F)[C@@H](C2)C3=O ZINC000587427610 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)c(O)c1)[C@@H](C2)C3=O ZINC000587428085 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)c(O)c1)[C@@H](C2)C3=O ZINC000587428086 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)OC(C)(C)C)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587428299 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)OC(C)(C)C)(C1CCOCC1)[C@@H](C2)C3=O ZINC000587428300 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cn1ncc(I)c1C)[C@@H](C2)C3=O ZINC000587428339 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cn1ncc(I)c1C)[C@@H](C2)C3=O ZINC000587428341 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)ccc1O)[C@@H](C2)C3=O ZINC000587428388 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)ccc1O)[C@@H](C2)C3=O ZINC000587428390 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428570 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428571 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428572 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587428573 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587428656 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)ccc(Br)c41)[C@@H](C2)C3=O ZINC000587428657 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)ccc(F)c41)[C@@H](C2)C3=O ZINC000587428740 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)ccc(F)c41)[C@@H](C2)C3=O ZINC000587428742 HG Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428894 HG Annotated Mild CCOC(=O)C(=NOCc1ccccc1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587428895 HG Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(F)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587428946 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(F)cc(Br)cc41)[C@@H](C2)C3=O ZINC000587428947 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587428978 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(I)c1)[C@@H](C2)C3=O ZINC000587428979 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(Br)cc(F)cc41)[C@@H](C2)C3=O ZINC000587429061 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(Br)cc(F)cc41)[C@@H](C2)C3=O ZINC000587429064 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1O)[C@@H](C2)C3=O ZINC000587429098 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1O)[C@@H](C2)C3=O ZINC000587429099 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(I)c1O)[C@@H](C2)C3=O ZINC000587429387 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(I)c1O)[C@@H](C2)C3=O ZINC000587429389 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4cccc(F)c4)nn4cc[nH]c(=O)c14)[C@@H](C2)C3=O ZINC000587429479 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4cccc(F)c4)nn4cc[nH]c(=O)c14)[C@@H](C2)C3=O ZINC000587429480 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cccc(N(C)C(C)=O)c1)[C@@H](C2)C3=O ZINC000587429636 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cccc(N(C)C(C)=O)c1)[C@@H](C2)C3=O ZINC000587429637 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)OC(C)(C)C)(Cc1ccncc1)[C@@H](C2)C3=O ZINC000587429684 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)OC(C)(C)C)(Cc1ccncc1)[C@@H](C2)C3=O ZINC000587429689 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1N1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587429922 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1N1CCN(C(C)=O)CC1)[C@@H](C2)C3=O ZINC000587429925 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(O)cc1I)[C@@H](C2)C3=O ZINC000587430256 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1I)[C@@H](C2)C3=O ZINC000587430258 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(CC(=O)NC4CC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587430259 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(CC(=O)NC4CC4)c4ccccc14)[C@@H](C2)C3=O ZINC000587430264 HG Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587430339 HG Annotated Anodyne COC(=O)c1cc(C)n(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587430344 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587430572 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587430574 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@@H]1CCOC1)[C@@H](C2)C3=O ZINC000587430576 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)C[C@H]1CCOC1)[C@@H](C2)C3=O ZINC000587430578 HG Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431125 HG Annotated Anodyne COc1ccc(-c2nn(CC(=O)O)cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587431126 HG Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431145 HG Annotated Anodyne CCOC(=O)/C(=C/N(C)C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431150 HG Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431152 HG Annotated Anodyne CCOC(=O)/C(=C\N(C)C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431154 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c1)[C@@H](C2)C3=O ZINC000587431200 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cc([N+](=O)[O-])cn4)c1)[C@@H](C2)C3=O ZINC000587431213 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(OCn4ccc([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587431597 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(OCn4ccc([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587431600 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4C(N)=O)o1)[C@@H](C2)C3=O ZINC000587431831 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4C(N)=O)o1)[C@@H](C2)C3=O ZINC000587431832 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCn4ccc([N+](=O)[O-])n4)cc1)[C@@H](C2)C3=O ZINC000587431983 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4ccc([N+](=O)[O-])n4)cc1)[C@@H](C2)C3=O ZINC000587431985 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4ccc([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587432042 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4ccc([N+](=O)[O-])n4)c1)[C@@H](C2)C3=O ZINC000587432045 HG Annotated Bother COc1cc2c3c(c1)O[C@@](C(=O)O)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587432561 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1c(C)nn(-c4ccccc4)c1C)[C@@H](C2)C3=O ZINC000587432562 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCOCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432688 HG Annotated Bother COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCOCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587432689 HG Annotated Bother COc1cc2c3c(c1)O[C@]1([C@@H]4COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587432969 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H]4COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587432971 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H]4COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587432975 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H]4COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C4)[C@@H](C2)C3=O ZINC000587432979 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432981 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCCO)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587432986 HG Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433136 HG Annotated Bother CCOC(=O)C[C@]1(Cc2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433137 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4cc(C(=O)O)cn4)c1)[C@@H](C2)C3=O ZINC000587433397 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4cc(C(=O)O)cn4)c1)[C@@H](C2)C3=O ZINC000587433398 HG Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433443 HG Annotated Anodyne COC(=O)c1ccn(COc2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 ZINC000587433444 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(=O)c4cnn(C)c4)cc1)[C@@H](C2)C3=O ZINC000587433461 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(=O)c4cnn(C)c4)cc1)[C@@H](C2)C3=O ZINC000587433462 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)NCc4ccco4)cc1)[C@@H](C2)C3=O ZINC000587433525 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)NCc4ccco4)cc1)[C@@H](C2)C3=O ZINC000587433526 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(NC(=O)OC(C)(C)C)(C(=O)O)CC1)[C@@H](C2)C3=O ZINC000587433783 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCn4cc([N+](=O)[O-])cn4)cc1)[C@@H](C2)C3=O ZINC000587434060 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(OCn4cc([N+](=O)[O-])cn4)cc1)[C@@H](C2)C3=O ZINC000587434061 HG Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O ZINC000587434158 HG Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc([N+](=O)[O-])cc1)(c1cc(C=O)n(C)c1)[C@@H](C2)C3=O ZINC000587434160 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)[C@@H](C2)C3=O ZINC000587434412 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCC(CO)CC1)[C@@H](C2)C3=O ZINC000587434413 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1cccc(OCn4cc([N+](=O)[O-])cn4)c1)[C@@H](C2)C3=O ZINC000587434418 HG Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cccc(OCn4cc([N+](=O)[O-])cn4)c1)[C@@H](C2)C3=O ZINC000587434419 HG Annotated Bother C=CN1CC[C@H]([C@]2(c3cccc(N(C)C)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587434616 HG Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cccc(N(C)C)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587434617 HG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cccc(N(C)C)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587434618 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(N(C)C)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587434619 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(c4ccc([N+](=O)[O-])c(OC)c4)CC1)[C@@H](C2)C3=O ZINC000587434653 HG Annotated Bother COc1cc2c3c(c1)O[C@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587434706 HG Annotated Bother COc1cc2c3c(c1)O[C@@](CNC(=O)c1ccc([N+](=O)[O-])cc1)(C(C)C)[C@@H](C2)C3=O ZINC000587434707 HG Annotated Bother COc1cc2c3c(c1)OC1(CCN(Cc4c(OC)cccc4OC)CC1)[C@@H](C2)C3=O ZINC000587434832 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587434837 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587434838 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587434839 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CC1)([C@H]1CN(C(=O)OC(C)(C)C)CCO1)[C@@H](C2)C3=O ZINC000587434840 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434968 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434971 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434973 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H]1COCCN1C(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587434974 HG Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1=O ZINC000587435247 HG Annotated Anodyne CCOC(=O)c1c[nH]c2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2c1=O ZINC000587435249 HG Annotated Anodyne COc1ccc([C@@]2(c3c(N)nc4n3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435273 HG Annotated Anodyne COc1ccc([C@]2(c3c(N)nc4n3CCC4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587435274 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587435312 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587435316 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587435317 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587435320 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587435513 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C/N(C)C)[C@@H](C2)C3=O ZINC000587435516 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587435517 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C/C1=C\N(C)C)[C@@H](C2)C3=O ZINC000587435521 HG Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435594 HG Annotated Anodyne CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435595 HG Annotated Anodyne CC[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435597 HG Annotated Anodyne CC[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435599 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(N)nc4n1CCC4)[C@@H](C2)C3=O ZINC000587435863 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(N)nc4n1CCC4)[C@@H](C2)C3=O ZINC000587435867 HG Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436754 HG Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587436756 HG Annotated Anodyne COC(=O)c1noc(C)c1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437053 HG Annotated Anodyne COC(=O)c1noc(C)c1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437054 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc4c(cc1OCc1nc(C)no1)OCO4)[C@@H](C2)C3=O ZINC000587437104 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc4c(cc1OCc1nc(C)no1)OCO4)[C@@H](C2)C3=O ZINC000587437107 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)n1)([C@@H](O)c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587437277 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)n1)([C@H](O)c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587437279 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(C)n1)([C@H](O)c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587437280 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(C)n1)([C@@H](O)c1cccc(C)n1)[C@@H](C2)C3=O ZINC000587437281 HG Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)CC1 ZINC000587437519 HG Annotated Anodyne CCOC(=O)C1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cn2)CC1 ZINC000587437522 HG Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437656 HG Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)O)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587437657 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCCCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587438024 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCCCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587438025 HG Annotated Anodyne C=CN1CC[C@H]([C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438157 HG Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438166 HG Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438169 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3ccc(OC)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438173 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCNCC4)Oc4cn(C(C)(C)C)nc41)[C@@H](C2)C3=O ZINC000587438227 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCNCC4)Oc4cn(C(C)(C)C)nc41)[C@@H](C2)C3=O ZINC000587438230 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4cc(OC)cc(OC)c14)[C@@H](C2)C3=O ZINC000587438382 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4cc(OC)cc(OC)c14)[C@@H](C2)C3=O ZINC000587438385 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587438411 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)CCC(=O)N4)[C@@H](C2)C3=O ZINC000587438415 HG Annotated Anodyne CCOC(=O)[C@H]1CN(c2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438456 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438459 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-n4c1nc1ccccc1c4=O)[C@@H](C2)C3=O ZINC000587438460 HG Annotated Anodyne CCOC(=O)[C@H]1CN(c2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438462 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(c2ccccc2)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438463 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-n4c1nc1ccccc1c4=O)[C@@H](C2)C3=O ZINC000587438465 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1nc(-c4ccc5c(c4)OCO5)no1)[C@@H](C2)C3=O ZINC000587438468 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(Cc1nc(-c4ccc5c(c4)OCO5)no1)[C@@H](C2)C3=O ZINC000587438476 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438512 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c[nH]c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438513 HG Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438545 HG Annotated Anodyne CCOC(=O)C1CCN(c2ncccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438547 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439396 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)cc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587439407 HG Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(N4C(=O)c5ccccc5C4=O)CC1)[C@@H](C2)C3=O ZINC000587439613 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439873 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439875 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439877 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCC[C@@H](N4C(=O)c5ccccc5C4=O)C1)[C@@H](C2)C3=O ZINC000587439879 HG Annotated Anodyne CCCOc1ccc([C@@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440432 HG Annotated Anodyne CCCOc1ccc([C@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587440435 HG Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587440485 HG Annotated Anodyne CCOC(=O)N1CCN(c2ccccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587440486 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCN(C)CC4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587440491 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCN(C)CC4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587440492 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(COC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O ZINC000587441228 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COC4(CCN(C(=O)OC(C)(C)C)CC4)C1)[C@@H](C2)C3=O ZINC000587441231 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441416 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441420 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O ZINC000587441463 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)C(C)(C)C(=O)N4)[C@@H](C2)C3=O ZINC000587441464 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(CN4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587441566 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CN4CCOCC4)c1)[C@@H](C2)C3=O ZINC000587441578 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441876 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441877 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441878 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(OC)c(O[C@@H](C)C(=O)O)c(OC)c1)[C@@H](C2)C3=O ZINC000587441879 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(C)ccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441986 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(C)ccc2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441987 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442204 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C)c(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442208 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442651 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442654 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442987 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442989 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443133 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443135 HG Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)CC1 ZINC000587443158 HG Annotated Anodyne CCOC(=O)N1CCN(c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)CC1 ZINC000587443163 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(OC)cc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443503 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(OC)cc(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587443506 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc4c(n1)OCCN4C(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587443855 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc4c(n1)OCCN4C(=O)C(C)(C)C)[C@@H](C2)C3=O ZINC000587443860 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CC#N)(c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587443887 HG Annotated Mild COc1cc2c3c(c1)O[C@@](CC#N)(c1ccc(N4CCN(C)CC4)cc1)[C@@H](C2)C3=O ZINC000587443891 HG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1c4c(c(OC)c5c1OCO5)CN(C)CC4)[C@@H](C2)C3=O ZINC000587443964 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c4c(c(OC)c5c1OCO5)CN(C)CC4)[C@@H](C2)C3=O ZINC000587443965 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587444869 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587444870 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](C1CCN(CC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445331 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](C1CCN(CC(=O)OCc4ccccc4)CC1)[C@@H](C2)C3=O ZINC000587445332 HG Annotated Anodyne COc1cc2c3c(c1)OC1([C@H]4C[C@H]1CN(C(=O)OCc1ccccc1)C4)[C@@H](C2)C3=O ZINC000587445333 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587447516 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCCC4)cc1)[C@@H](C2)C3=O ZINC000587447517 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H](C2)C3=O ZINC000587447518 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)c(Br)c1)[C@@H](C2)C3=O ZINC000587447519 HG Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447524 HG Annotated Anodyne CCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447525 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587447532 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccn(S(=O)(=O)c4ccccc4)c1)[C@@H](C2)C3=O ZINC000587447533 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587447690 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(CS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587447691 HG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587447744 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587447745 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447927 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587447930 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587448034 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587448035 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(C)=O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448056 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(C)=O)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587448061 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNC(C)=O)s1)[C@@H](C2)C3=O ZINC000587448757 HG Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNC(C)=O)s1)[C@@H](C2)C3=O ZINC000587448758 HG Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1sc(N4CCC(=O)CC4)nc1Cl)[C@@H](C2)C3=O ZINC000587448761 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N4CCC(=O)CC4)nc1Cl)[C@@H](C2)C3=O ZINC000587448762 HG Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(O)cccc4C(=O)c4cccc(O)c41)[C@@H](C2)C3=O ZINC000587448835 HG Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448903 HG Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)NC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448904 HG Annotated Anodyne CC[C@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448970 HG Annotated Anodyne CC[C@@]1(c2ccc(Cl)c(S(N)(=O)=O)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448972 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(NC[C@H]4CCCO4)nc1C)[C@@H](C2)C3=O ZINC000587450187 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(NC[C@H]4CCCO4)nc1C)[C@@H](C2)C3=O ZINC000587450192 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(NC[C@@H]4CCCO4)nc1C)[C@@H](C2)C3=O ZINC000587450194 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(NC[C@@H]4CCCO4)nc1C)[C@@H](C2)C3=O ZINC000587450196 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587450263 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)OCCCO4)[C@@H](C2)C3=O ZINC000587450265 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C#N)c(SCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587450434 HG Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1cc(C#N)c(SCC(=O)O)nc1C)[C@@H](C2)C3=O ZINC000587450435 HG Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450442 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450443 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)c(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450452 HG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)c(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450453 HG Annotated Clean COc1cc2c3c(c1)OC1(c4cccc(O)c4C(=O)c4c(O)cccc41)[C@@H](C2)C3=O ZINC000587450569 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)cc(O)c(O)c41)[C@@H](C2)C3=O ZINC000587450613 HG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)cc(O)c(O)c41)[C@@H](C2)C3=O ZINC000587450614 HG Annotated Clean COc1cc2c3c(c1)OC1(CCN(c4nc(Cl)c(C=O)s4)CC1)[C@@H](C2)C3=O ZINC000587450814 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1sc(N4CCC(O)CC4)nc1Cl)[C@@H](C2)C3=O ZINC000587450885 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1sc(N4CCC(O)CC4)nc1Cl)[C@@H](C2)C3=O ZINC000587450886 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450895 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(CCC(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587450900 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587450965 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(S(N)(=O)=O)c1)(C1CC1)[C@@H](C2)C3=O ZINC000587450969 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(O)c(O)c41)[C@@H](C2)C3=O ZINC000587451067 HG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(O)c(O)c41)[C@@H](C2)C3=O ZINC000587451073 HG Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(O)c4O)[C@@H](C2)C3=O ZINC000587451076 HG Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(O)c4O)[C@@H](C2)C3=O ZINC000587451080 HG Annotated Clean COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587451102 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587451113 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(O)cc4C(=O)c4ccc(O)cc41)[C@@H](C2)C3=O ZINC000587451125 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(O)cc4C(=O)c4ccc(O)cc41)[C@@H](C2)C3=O ZINC000587451130 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587451195 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(O)ccc(O)c41)[C@@H](C2)C3=O ZINC000587451196 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4cccc(O)c41)[C@@H](C2)C3=O ZINC000587451240 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4cccc(O)c41)[C@@H](C2)C3=O ZINC000587451242 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4nncn4C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587451588 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Sc4nncn4C)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587451591 HG Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451677 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1S(C)(=O)=O)[C@@H](C2)C3=O ZINC000587451679 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(S(N)(=O)=O)cc4)o1)[C@@H](C2)C3=O ZINC000587451717 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(S(N)(=O)=O)cc4)o1)[C@@H](C2)C3=O ZINC000587451737 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587451750 HG Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@@H](C)Cl)[C@@H](C2)C3=O ZINC000587451753 HG Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587451755 HG Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(NS(C)(=O)=O)cc1)([C@H](C)Cl)[C@@H](C2)C3=O ZINC000587451757 HG Annotated Reactive COc1cc2c3c(c1)OC(c1ccc(O)cc1O)(c1ccc(O)cc1O)[C@@H](C2)C3=O ZINC000587452869 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O ZINC000587453037 HG Annotated Clean COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccc(O)c(O)c1O)[C@@H](C2)C3=O ZINC000587453039 HG Annotated Clean CNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587453137 HG Annotated Anodyne CNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)s1 ZINC000587453138 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cnc(=S)n(C)c1N)[C@@H](C2)C3=O ZINC000587453927 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cnc(=S)n(C)c1N)[C@@H](C2)C3=O ZINC000587453931 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1sc(NC(C)=O)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587454321 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1sc(NC(C)=O)c(C(=O)O)c1C)[C@@H](C2)C3=O ZINC000587454325 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C[C@@H](C)CS4(=O)=O)c1)[C@@H](C2)C3=O ZINC000587454459 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C[C@@H](C)CS4(=O)=O)c1)[C@@H](C2)C3=O ZINC000587454460 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(N4C[C@H](C)CS4(=O)=O)c1)[C@@H](C2)C3=O ZINC000587454461 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(N4C[C@H](C)CS4(=O)=O)c1)[C@@H](C2)C3=O ZINC000587454462 HG Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)[C@@H](C2)C3=O ZINC000587454577 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)[C@@H](C2)C3=O ZINC000587454579 HG Annotated Anodyne CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454640 HG Annotated Anodyne CCOC(=O)[C@@]1(C[C@H]2OCCc3ccccc32)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454641 HG Annotated Anodyne CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454642 HG Annotated Anodyne CCOC(=O)[C@@]1(C[C@@H]2OCCc3ccccc32)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454643 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454845 HG Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc4c(c1)OCCO4)[C@@H](C2)C3=O ZINC000587454846 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(C)(C)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587456381 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587456382 HG Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587456394 HG Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)OC=C1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587456396 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc3ccccc3o2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456629 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc3ccccc3o2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587456630 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C(O)O)CC2=O ZINC000587457012 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C(O)O)CC2=O ZINC000587457022 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(C(O)O)CC2=O ZINC000587457286 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(C(O)O)CC2=O ZINC000587457288 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(C(=O)CBr)CC2=O ZINC000587457392 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(C(=O)CBr)CC2=O ZINC000587457393 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ncc(Br)cc21 ZINC000587457845 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ncc(Br)cc21 ZINC000587457848 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(N)=O)(c1ccc(Br)cc1)CC2=O ZINC000587458075 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(N)=O)(c1ccc(Br)cc1)CC2=O ZINC000587458076 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1ccc(OCC(N)=O)cc1)CC2=O ZINC000587458965 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1ccc(OCC(N)=O)cc1)CC2=O ZINC000587458974 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CC(N)=O)c1C)CC2=O ZINC000587459294 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CC(N)=O)c1C)CC2=O ZINC000587459307 HG Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2C[C@]1(O)C(=O)OC ZINC000587459497 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Cl)cc2C[C@@]1(O)C(=O)OC ZINC000587459505 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2C[C@]1(O)C(=O)OC ZINC000587459509 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Cl)cc2C[C@@]1(O)C(=O)OC ZINC000587459512 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCNC(=O)c3[nH]c(Br)cc31)CC2=O ZINC000587459741 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCNC(=O)c3[nH]c(Br)cc31)CC2=O ZINC000587459745 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ncnc1N1CCOCC1)CC2=O ZINC000587462076 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ncnc1N1CCOCC1)CC2=O ZINC000587462077 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)CC2=O ZINC000587462176 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)CC2=O ZINC000587462183 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C\N(C)C)CC2=O ZINC000587462186 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)C(F)(F)F)/C1=C/N(C)C)CC2=O ZINC000587462189 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)nc1N1CCOCC1)CC2=O ZINC000587462514 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)nc1N1CCOCC1)CC2=O ZINC000587462517 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(C#N)cc1)CC2=O ZINC000587466567 HG Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(C#N)cc1)CC2=O ZINC000587466568 HG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 ZINC000587467266 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc3c(cc21)OC(F)(F)O3 ZINC000587467271 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1F)CC2=O ZINC000587467372 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1F)CC2=O ZINC000587467373 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)CC2=O ZINC000587467687 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)CC2=O ZINC000587467692 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC2=O ZINC000587467693 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)CC2=O ZINC000587467694 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587468418 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(F)cc1)CC2=O ZINC000587468421 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1C(=O)CCC1=O)(c1ccccc1F)CC2=O ZINC000587468531 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1C(=O)CCC1=O)(c1ccccc1F)CC2=O ZINC000587468532 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)ncn1C)CC2=O ZINC000587470313 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)ncn1C)CC2=O ZINC000587470314 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(CC(N)=O)C(=O)OCC)CC2=O ZINC000587471590 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@]1(CC(N)=O)C(=O)OCC)CC2=O ZINC000587471592 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(CC(N)=O)C(=O)OCC)CC2=O ZINC000587471594 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@]1(CC(N)=O)C(=O)OCC)CC2=O ZINC000587471596 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)CC2=O ZINC000587471809 HG Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(/C(=C/N(C)C)n1cc([N+](=O)[O-])cn1)CC2=O ZINC000587471810 HG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](CCCNC(=O)CCCC(=O)OCC)CC2=O ZINC000587471855 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](CCCNC(=O)CCCC(=O)OCC)CC2=O ZINC000587471856 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(I)cnn1C)CC2=O ZINC000587472616 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)cnn1C)CC2=O ZINC000587472617 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)CC2=O ZINC000587472921 HG Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1OCC(=O)O)CC2=O ZINC000587472922 HG Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCC(=O)O)c2cc(F)ccc21 ZINC000587473179 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCC(=O)O)c2cc(F)ccc21 ZINC000587473180 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@@H](C(=O)OCC)[N+](=O)[O-])C1)CC2=O ZINC000587473190 HG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@H](C(=O)OCC)[N+](=O)[O-])C1)CC2=O ZINC000587473192 HG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@@H](C(=O)OCC)[N+](=O)[O-])C1)CC2=O ZINC000587473194 HG Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@H](C(=O)OCC)[N+](=O)[O-])C1)CC2=O ZINC000587473195 HG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473205 HG Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)O)c([N+](=O)[O-])c1)CC2=O ZINC000587473207 HG Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473629 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473630 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2CO[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473631 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CO[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473632 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)CC2=O ZINC000587474257 HG Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)ON3C(=O)CCC3=O)cc1)CC2=O ZINC000587474258 HG Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OC)CC2=O ZINC000587474285 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OC)CC2=O ZINC000587474291 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)OC)CC2=O ZINC000587474293 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)OC)CC2=O ZINC000587474294 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O ZINC000587474313 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O ZINC000587474315 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)O ZINC000587474318 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)O ZINC000587474320 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(N)=O)(c1c(C)nn(-c3ccccc3)c1C)CC2=O ZINC000587474400 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(N)=O)(c1c(C)nn(-c3ccccc3)c1C)CC2=O ZINC000587474401 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cn(CC)nc1C)CC2=O ZINC000587474402 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cn(CC)nc1C)CC2=O ZINC000587474403 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@H]1C(=O)OCC)CC2=O ZINC000587474529 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@H]1C(=O)OCC)CC2=O ZINC000587474532 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC)C[C@@H]1C(=O)OCC)CC2=O ZINC000587474534 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC)C[C@@H]1C(=O)OCC)CC2=O ZINC000587474536 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OCC)Cc2c1nc(C)n2C ZINC000587474664 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OCC)Cc2c1nc(C)n2C ZINC000587474665 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OCC)Cc2c1nc(C)n2C ZINC000587474666 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OCC)Cc2c1nc(C)n2C ZINC000587474667 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCN(CCO)CC3)cc1)CC2=O ZINC000587474883 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCN(CCO)CC3)cc1)CC2=O ZINC000587474888 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587475103 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCC(C(=O)OCC)CC1)CC2=O ZINC000587475105 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nnnn3C)c(OC)c1)CC2=O ZINC000587475422 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3nnnn3C)c(OC)c1)CC2=O ZINC000587475423 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC000587476455 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC000587476457 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC000587476459 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)N(C(=O)OC(C)(C)C)C1 ZINC000587476464 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587476742 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C)C)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587476747 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587476805 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COCC(=O)O)(c1ccc(OC)cc1)CC2=O ZINC000587476806 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC)cc1)CC2=O ZINC000587477050 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)cc1)CC2=O ZINC000587477068 HG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(c3ncnc4c3cnn4C)CC1)CC2=O ZINC000587477286 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 ZINC000587479015 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]1CO2 ZINC000587479017 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CN1CCOCC1)(c1cnn(CC)c1C)CC2=O ZINC000587479094 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCOCC1)(c1cnn(CC)c1C)CC2=O ZINC000587479095 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OCC)[C@H](C(=O)OCC)C1 ZINC000587479780 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OCC)[C@H](C(=O)OCC)C1 ZINC000587479786 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480251 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587480253 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(CC(=O)O)c(C(=O)OC)c1C)CC2=O ZINC000587480667 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(CC(=O)O)c(C(=O)OC)c1C)CC2=O ZINC000587480687 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N2CCCc3cc(C(=O)O)cc1c32 ZINC000587480881 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N2CCCc3cc(C(=O)O)cc1c32 ZINC000587480887 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587481016 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587481017 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587481019 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587481021 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O ZINC000587482635 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O ZINC000587482658 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)N(C)C)c1)CC2=O ZINC000587482830 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)N(C)C)c1)CC2=O ZINC000587482853 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCCO)cc1)(C(C)(C)O)CC2=O ZINC000587483507 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCCO)cc1)(C(C)(C)O)CC2=O ZINC000587483517 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)CC2=O ZINC000587483786 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)c(OC)nc(OC)c1OC)CC2=O ZINC000587483794 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)c(OC)nc(OC)c1OC)CC2=O ZINC000587483799 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(S(N)(=O)=O)c(C)cc1C)CC2=O ZINC000587483800 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)CC2=O ZINC000587483922 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)CC2=O ZINC000587483925 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)CC2=O ZINC000587483928 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](c1nc3ccccc3[nH]1)S(C)(=O)=O)CC2=O ZINC000587483930 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)CC2=O ZINC000587483983 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)CC2=O ZINC000587483986 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1C=C(C(=O)O)NN1c1ccccc1)CC2=O ZINC000587483987 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1C=C(C(=O)O)NN1c1ccccc1)CC2=O ZINC000587483989 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccccc1OC)CC2=O ZINC000587484246 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccccc1OC)CC2=O ZINC000587484248 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587484783 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587484784 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587484788 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN[C@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587484789 HG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)N2 ZINC000587484866 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cccc(OC)c1)CC2=O ZINC000587485099 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cccc(OC)c1)CC2=O ZINC000587485100 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N2CCCCCC2=C1C(=O)OC ZINC000587485382 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N2CCCCCC2=C1C(=O)OC ZINC000587485386 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587485656 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(COC3(CN(C(=O)OC(C)(C)C)C3)C1)CC2=O ZINC000587485662 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc(OC)cc1)CC2=O ZINC000587485886 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc(OC)cc1)CC2=O ZINC000587485887 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)CCOC)cc1)CC2=O ZINC000587485894 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)CCOC)cc1)CC2=O ZINC000587485895 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)CC2=O ZINC000587485918 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(O)c(S(C)(=O)=O)cc31)CC2=O ZINC000587485920 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 ZINC000587486018 HG Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 ZINC000587486032 HG Annotated Unstable CCCc1c(O)ccc2c1O[C@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CC2=O ZINC000587486120 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)O)(C13C[C@H]4C[C@@H](CC(O)(C4)C1)C3)CC2=O ZINC000587486124 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587486151 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)N(C)C)cc1)CC2=O ZINC000587486156 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)OCC)c2ccccc21 ZINC000587486822 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)OCC)c2ccccc21 ZINC000587486823 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(=O)O)c2ccc(CC)cc21 ZINC000587487677 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)O)c2ccc(CC)cc21 ZINC000587487679 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)nc3c(C)cccn3c1=O)CC2=O ZINC000587487873 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)nc3c(C)cccn3c1=O)CC2=O ZINC000587487874 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CCOC)c1)CC2=O ZINC000587488380 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CCOC)c1)CC2=O ZINC000587488382 HG Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000587488889 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587488912 HG Annotated Bother CCCc1c(O)ccc2c1O[C@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000587488913 HG Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(N)(=O)=O)C2(C)C ZINC000587488940 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@]1(CS(N)(=O)=O)C2(C)C ZINC000587488941 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@@]1(CS(N)(=O)=O)C2(C)C ZINC000587488943 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@]1(CS(N)(=O)=O)C2(C)C ZINC000587488946 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(SCC(=O)O)ccc21 ZINC000587489200 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(SCC(=O)O)ccc21 ZINC000587489210 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587489225 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587489227 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587489229 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn([C@H]3CCS(=O)(=O)C3)c1C)CC2=O ZINC000587489231 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O ZINC000587489338 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c(NS(C)(=O)=O)c1)CC2=O ZINC000587489339 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2=O ZINC000587489540 HG Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2=O ZINC000587489547 HG Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1c(COP(=O)(O)O)cnc(C)c1O)CC2=O ZINC000587490177 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(COP(=O)(O)O)cnc(C)c1O)CC2=O ZINC000587490198 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1S(C)(=O)=O)CC2=O ZINC000587490890 HG Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1S(C)(=O)=O)CC2=O ZINC000587490891 HG Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cccc3c1N(S(C)(=O)=O)CC3)CC2=O ZINC000587491138 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1N(S(C)(=O)=O)CC3)CC2=O ZINC000587491140 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3nc(OC)ccc3[C@@H]1C(=O)OC)CC2=O ZINC000587492107 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3nc(OC)ccc3[C@H]1C(=O)OC)CC2=O ZINC000587492108 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(OC)ccc3[C@@H]1C(=O)OC)CC2=O ZINC000587492109 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3nc(OC)ccc3[C@H]1C(=O)OC)CC2=O ZINC000587492110 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)N(CC)c2ccccc21 ZINC000587492433 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)N(CC)c2ccccc21 ZINC000587492435 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nc(O)cc(O)n1)(C1CC1)CC2=O ZINC000587494045 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nc(O)cc(O)n1)(C1CC1)CC2=O ZINC000587494047 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](O)SCC(=O)O)CC2=O ZINC000587494552 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)SCC(=O)O)CC2=O ZINC000587494555 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](O)SCC(=O)O)CC2=O ZINC000587494559 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](O)SCC(=O)O)CC2=O ZINC000587494562 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)s1)(C(O)O)CC2=O ZINC000587494846 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)s1)(C(O)O)CC2=O ZINC000587494849 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2SCC1(CO)CO ZINC000587495580 HG Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2SCC1(CO)CO ZINC000587495584 HG Annotated Anodyne O=C1C[C@](c2cccc(Br)c2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587495656 HG Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587495659 HG Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587496005 HG Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587496007 HG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502268 HG Annotated Anodyne O=C(O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587502281 HG Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503097 HG Annotated Anodyne CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503099 HG Annotated Anodyne CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503102 HG Annotated Anodyne CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587503105 HG Annotated Anodyne O=C(O)CCN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc21 ZINC000587505460 HG Annotated Anodyne O=C(O)CCN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc21 ZINC000587505463 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506163 HG Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccc(C#N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506164 HG Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(N)=O ZINC000587507125 HG Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCC(N)=O ZINC000587507127 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509690 HG Annotated Bother COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509696 HG Annotated Bother CCOC(=O)C1CCN(C(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511975 HG Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511977 HG Annotated Anodyne Cn1ncc2c(N3CCC4(CC3)CC(=O)c3ccc5c(c3O4)CCCC5)ncnc21 ZINC000587512920 HG Annotated Anodyne CCOC(=O)C(=O)NC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513906 HG Annotated Anodyne CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513913 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515345 HG Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515346 HG Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515875 HG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515876 HG Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515877 HG Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587515878 HG Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515930 HG Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 ZINC000587515933 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516486 HG Annotated Anodyne Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516487 HG Annotated Anodyne CCn1ncc([C@@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516701 HG Annotated Anodyne CCn1ncc([C@]2(CN3CCOCC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516703 HG Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587516927 HG Annotated Anodyne COC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587516929 HG Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587516931 HG Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C(=O)OC(C)(C)C ZINC000587516933 HG Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516974 HG Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587516975 HG Annotated Anodyne NC[C@]1(c2ncn(Cc3ccccc3)c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517036 HG Annotated Anodyne NC[C@@]1(c2ncn(Cc3ccccc3)c2N)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517037 HG Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517517 HG Annotated Mild O=C(ON1C(=O)CCC1=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587517518 HG Annotated Mild COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517550 HG Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587517551 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587517576 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O ZINC000587517577 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O ZINC000587517578 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H]1C(=O)O ZINC000587517579 HG Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517790 HG Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587517791 HG Annotated Mild COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1nnnn1C ZINC000587517835 HG Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1nnnn1C ZINC000587517836 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517993 HG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517994 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517995 HG Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517996 HG Annotated Anodyne CCOC(=O)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518731 HG Annotated Anodyne CCOC(=O)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587518732 HG Annotated Anodyne CCc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2CC(=O)O ZINC000587518828 HG Annotated Anodyne CCc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2CC(=O)O ZINC000587518829 HG Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587519235 HG Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(N3CCOCC3)ccc12 ZINC000587519236 HG Annotated Anodyne CCOC(=O)[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OCC ZINC000587523534 HG Annotated Anodyne CCOC(=O)[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)OCC ZINC000587523539 HG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@@]1(CC(=O)c4ccc5c(c4O1)CCCC5)C(=O)N3CCC2 ZINC000587525448 HG Annotated Anodyne O=C(O)c1cc2c3c(c1)[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)C(=O)N3CCC2 ZINC000587525462 HG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587527315 HG Annotated Anodyne COC(=O)c1c(CC(=O)O)[nH]c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587527316 HG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529559 HG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529569 HG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529574 HG Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587529576 HG Annotated Anodyne C[C@]1(n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CCS(=O)(=O)C1 ZINC000587529649 HG Annotated Anodyne C[C@]1(n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CCS(=O)(=O)C1 ZINC000587529655 HG Annotated Anodyne C[C@@]1(n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CCS(=O)(=O)C1 ZINC000587529657 HG Annotated Anodyne C[C@@]1(n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)CCS(=O)(=O)C1 ZINC000587529658 HG Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587530064 HG Annotated Unstable O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(S(=O)(=O)Cl)cc12 ZINC000587530069 HG Annotated Unstable Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530321 HG Annotated Anodyne Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530322 HG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530323 HG Annotated Anodyne Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530324 HG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530652 HG Annotated Bother CS(=O)(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530655 HG Annotated Bother Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530671 HG Annotated Anodyne Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530674 HG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587531530 HG Annotated Anodyne Cc1ncc(COP(=O)(O)O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O ZINC000587531536 HG Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531540 HG Annotated Anodyne CS(=O)(=O)c1cc2c(nc1O)CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531545 HG Annotated Anodyne COc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(N)(=O)=O ZINC000587532021 HG Annotated Anodyne COc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1S(N)(=O)=O ZINC000587532026 HG Annotated Anodyne COc1ccc([C@]2(CS(C)(=O)=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532992 HG Annotated Anodyne COc1ccc([C@@]2(CS(C)(=O)=O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532993 HG Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3S2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533603 HG Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3S2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533611 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534919 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534926 HG Annotated Anodyne CCOC(=O)[C@@]1(c2csc(NC=O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535202 HG Annotated Anodyne CCOC(=O)[C@]1(c2csc(NC=O)n2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535207 HG Annotated Anodyne CCOC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537327 HG Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537330 HG Annotated Reactive CCOC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537331 HG Annotated Reactive CCOC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537332 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccncn1 ZINC000587537418 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccncn1 ZINC000587537419 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccncn1 ZINC000587537420 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccncn1 ZINC000587537421 HG Annotated Reactive Cc1nonc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537422 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537423 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537424 HG Annotated Reactive Cc1nonc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537425 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnccn1 ZINC000587537761 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cnccn1 ZINC000587537763 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnccn1 ZINC000587537764 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cnccn1 ZINC000587537765 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cncnc1 ZINC000587537950 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cncnc1 ZINC000587537953 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cncnc1 ZINC000587537954 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cncnc1 ZINC000587537956 HG Annotated Reactive CCOC(=O)C[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538100 HG Annotated Reactive CCOC(=O)C[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538101 HG Annotated Reactive CCOC(=O)C[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538102 HG Annotated Reactive CCOC(=O)C[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538103 HG Annotated Reactive COC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538266 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538267 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538268 HG Annotated Reactive COC(=O)[C@]1([C@H](C)Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538269 HG Annotated Reactive CCOC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539923 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539925 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539926 HG Annotated Reactive CCOC(=O)[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539927 HG Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541451 HG Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541452 HG Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541453 HG Annotated Reactive CC(C)[C@H](NC(=O)CCl)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541454 HG Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541553 HG Annotated Reactive Cc1oc(C(N)=O)cc1[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541561 HG Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541563 HG Annotated Reactive Cc1oc(C(N)=O)cc1[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541565 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C/N1CCOCC1)CCl ZINC000587547126 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(/C=C\N1CCOCC1)CCl ZINC000587547130 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C/N1CCOCC1)CCl ZINC000587547132 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(/C=C\N1CCOCC1)CCl ZINC000587547134 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)C(F)(F)F)CC2 ZINC000587548500 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)C(F)(F)F)CC2 ZINC000587548539 HG Annotated Anodyne Nc1ncc(Br)nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548838 HG Annotated Anodyne Nc1ncc(Br)nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548863 HG Annotated Anodyne Nc1ncc(Br)nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548866 HG Annotated Anodyne Nc1ncc(Br)nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548869 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(CCl)cc1=O ZINC000587549340 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(CCl)cc1=O ZINC000587549354 HG Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(CCl)cc1=O ZINC000587549359 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(CCl)cc1=O ZINC000587549363 HG Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(Cl)cc1=O ZINC000587551709 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC=Cn1c2nc(Cl)cc1=O ZINC000587551710 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(Cl)cc1=O ZINC000587551711 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC=Cn1c2nc(Cl)cc1=O ZINC000587551712 HG Annotated Anodyne O=C1COc2c(-c3ccc4c(O)nc(O)nc4n3)ccc(OCc3ccccc3)c2N1 ZINC000587554437 HG Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587555255 HG Annotated Anodyne O=[N+]([O-])c1c(OCc2ccccc2)ccc(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587555775 HG Annotated Bother COC(=O)[C@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccccc1 ZINC000587556702 HG Annotated Anodyne COC(=O)[C@@H](Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccccc1 ZINC000587556705 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2CC1 ZINC000587558374 HG Annotated Anodyne COc1cc(O)c(-c2nc3nc(O)nc(O)c3cc2Cc2ccccc2)c(O)c1OC ZINC000587559166 HG Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3ccc4c(O)nc(O)nc4n3)ccc12 ZINC000587559279 HG Annotated Anodyne O=C(OCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccc(O)cc1 ZINC000587559712 HG Annotated Anodyne COc1cc(O)c(-c2nc3nc(O)nc(O)c3cc2Cc2ccccc2)c(OC)c1 ZINC000587559748 HG Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000587559941 HG Annotated Anodyne CCCOc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1OCCC ZINC000587559978 HG Annotated Anodyne COc1cc(O)c(OC)c(O)c1-c1nc2nc(O)nc(O)c2cc1Cc1ccccc1 ZINC000587560054 HG Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000587560123 HG Annotated Anodyne CCCCC[C@H](O)Cc1nc2nc(O)nc(O)c2cc1Cc1ccc(O)c(OC)c1 ZINC000587560312 HG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 ZINC000587560829 HG Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1Cc1cc3c(O)nc(O)nc3nc12 ZINC000587560833 HG Annotated Clean C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]43C)[C@H]1CCC2=O ZINC000587561109 HG Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O ZINC000587561116 HG Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]43C)[C@@H]1CCC2=O ZINC000587561120 HG Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O ZINC000587561122 HG Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@H]1CCC2=O ZINC000587561129 HG Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CCC2=O ZINC000587561478 HG Annotated Anodyne Cc1c(OCc2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587562475 HG Annotated Anodyne CCS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)c(Cl)c1Cl ZINC000587562543 HG Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562616 HG Annotated Anodyne Cc1c(O[C@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587562752 HG Annotated Anodyne Cc1c(O[C@@H](C)c2ccc3c(O)nc(O)nc3n2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587562753 HG Annotated Anodyne Cc1cc(OCc2ccc3c(O)nc(O)nc3n2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587562949 HG Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(-c3ccccc3OC[C@@H]3CO3)nc2n1 ZINC000587563049 HG Annotated Anodyne Oc1nc(O)c2cc(Cc3ccccc3)c(-c3ccccc3OC[C@H]3CO3)nc2n1 ZINC000587563051 HG Annotated Anodyne O=C(O)c1ccccc1C(=O)Nc1ccsc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587563406 HG Annotated Anodyne CCc1cc2c(O)nc(O)nc2nc1-c1ccn(S(=O)(=O)c2ccc(C)cc2)c1 ZINC000587563618 HG Annotated Anodyne COc1ccc(Cc2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)cc1OC ZINC000587563791 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc(C)cc3OC)[nH]c2c1 ZINC000587564562 HG Annotated Anodyne CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c1 ZINC000587565470 HG Annotated Anodyne CC(C)COc1cccc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000587565779 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2c1 ZINC000587566247 HG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587566348 HG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587566363 HG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587566373 HG Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587566444 HG Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587566580 HG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587566691 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587567926 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587567927 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587567929 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587567932 HG Annotated Bother CCOC(=O)CCOCCCOCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587568432 HG Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587568516 HG Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568949 HG Annotated Anodyne COc1ccc(F)cc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568950 HG Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568951 HG Annotated Anodyne COc1ccc(F)cc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568952 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569490 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569495 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569497 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569499 HG Annotated Anodyne O=C(NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587570158 HG Annotated Anodyne O=C(NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587570160 HG Annotated Anodyne O=C(NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587570162 HG Annotated Anodyne O=C(NCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C1CCOCC1 ZINC000587570163 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587570476 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587570479 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587570481 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587570484 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587571698 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587571699 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587571700 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587571701 HG Annotated Bother CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572961 HG Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572969 HG Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587572971 HG Annotated Anodyne CC1(C)Cc2ncnc(N)c2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587572973 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574832 HG Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574834 HG Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574835 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574837 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C(=O)O ZINC000587574965 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1[N+](=O)[O-])C(=O)O ZINC000587574966 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C(=O)O ZINC000587574967 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1[N+](=O)[O-])C(=O)O ZINC000587574968 HG Annotated Bother COc1ccc2c(c1)OC=C(N)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575283 HG Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575284 HG Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575285 HG Annotated Anodyne COc1ccc2c(c1)OC=C(N)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575286 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575526 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575527 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575528 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575529 HG Annotated Anodyne CNC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576086 HG Annotated Anodyne CNC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576087 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587576088 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587576089 HG Annotated Anodyne Cn1ccnc1[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576265 HG Annotated Anodyne Cn1ccnc1[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576276 HG Annotated Anodyne Cn1ccnc1[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576277 HG Annotated Anodyne Cn1ccnc1[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576278 HG Annotated Anodyne C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(N)=O ZINC000587576343 HG Annotated Anodyne C[C@H](Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(N)=O ZINC000587576345 HG Annotated Anodyne C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1)C(N)=O ZINC000587576347 HG Annotated Anodyne C[C@H](Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1)C(N)=O ZINC000587576349 HG Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577083 HG Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577084 HG Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587577086 HG Annotated Anodyne CC1(C)Cc2nc(N)ncc2[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587577088 HG Annotated Anodyne N[C@H](CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587577335 HG Annotated Anodyne N[C@H](CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587577343 HG Annotated Anodyne N[C@H](CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)O ZINC000587577344 HG Annotated Anodyne N[C@H](CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O ZINC000587577346 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587577405 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587577411 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587577414 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587577416 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587577719 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587577731 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587577869 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587577870 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587578289 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587578292 HG Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587578293 HG Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587578294 HG Annotated Bother Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-n1cnnc1 ZINC000587579138 HG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-n1cnnc1 ZINC000587579145 HG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-n1cnnc1 ZINC000587579146 HG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-n1cnnc1 ZINC000587579148 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579673 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579675 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579676 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579678 HG Annotated Anodyne C[C@]1(c2ccccc2OCC(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579738 HG Annotated Anodyne C[C@]1(c2ccccc2OCC(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579739 HG Annotated Anodyne C[C@@]1(c2ccccc2OCC(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579740 HG Annotated Anodyne C[C@@]1(c2ccccc2OCC(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579741 HG Annotated Anodyne NC(=O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579804 HG Annotated Anodyne NC(=O)CCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579805 HG Annotated Anodyne NC(=O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579806 HG Annotated Anodyne NC(=O)CCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579807 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579900 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579902 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579904 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579906 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccnc2)nn1 ZINC000587579934 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579967 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccnc2)nn1 ZINC000587579975 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccnc2)nn1 ZINC000587579976 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579977 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccnc2)nn1 ZINC000587579978 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579979 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579981 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580208 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580209 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587580210 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587580211 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(NC[C@H]2CCCO2)nc1 ZINC000587580236 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(NC[C@@H]2CCCO2)nc1 ZINC000587580237 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(NC[C@H]2CCCO2)nc1 ZINC000587580538 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(NC[C@@H]2CCCO2)nc1 ZINC000587580539 HG Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(N)=O ZINC000587581026 HG Annotated Anodyne C[C@H](Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(N)=O ZINC000587581028 HG Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(N)=O ZINC000587581029 HG Annotated Anodyne C[C@H](Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(N)=O ZINC000587581030 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581076 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581080 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@H]1CCCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581081 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1C[C@@H]1CCCO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581083 HG Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581096 HG Annotated Anodyne COC(=O)CCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581100 HG Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587581101 HG Annotated Anodyne COC(=O)CCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587581102 HG Annotated Anodyne CC(C)(C)[C@]1(Cn2cc(C(=O)O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581206 HG Annotated Anodyne CC(C)(C)[C@@]1(Cn2cc(C(=O)O)nn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581207 HG Annotated Anodyne CC(C)(C)[C@]1(Cn2cc(C(=O)O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581208 HG Annotated Anodyne CC(C)(C)[C@@]1(Cn2cc(C(=O)O)nn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581209 HG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)[C@@H](C3)C2 ZINC000587581242 HG Annotated Anodyne NC(=O)C12CC3C[C@@H](C1)C1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](C3)C2 ZINC000587581243 HG Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581326 HG Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581334 HG Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581335 HG Annotated Mild CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581336 HG Annotated Mild CC(C)(C)C(=O)OCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587581595 HG Annotated Anodyne CC(C)(C)C(=O)OCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587581597 HG Annotated Anodyne CC(C)(C)C(=O)OCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587581598 HG Annotated Anodyne CC(C)(C)C(=O)OCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587581599 HG Annotated Anodyne Cn1cc(-c2nn(C)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581738 HG Annotated Anodyne Cn1cc(-c2nn(C)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581739 HG Annotated Anodyne Cn1cc(-c2nn(C)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587581740 HG Annotated Anodyne Cn1cc(-c2nn(C)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587581741 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581774 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581775 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C ZINC000587581776 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C ZINC000587581777 HG Annotated Anodyne C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581869 HG Annotated Anodyne C[C@]1(c2ccc(OCC(N)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581870 HG Annotated Anodyne C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581872 HG Annotated Anodyne C[C@@]1(c2ccc(OCC(N)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581874 HG Annotated Anodyne C[C@]1(c2cccc(-n3cnnn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582301 HG Annotated Anodyne C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582304 HG Annotated Anodyne C[C@]1(c2cccc(-n3cnnn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582305 HG Annotated Anodyne C[C@@]1(c2cccc(-n3cnnn3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582306 HG Annotated Anodyne CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582644 HG Annotated Anodyne CC(C)(C)n1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587582645 HG Annotated Anodyne CC(C)(C)n1cc([C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582646 HG Annotated Anodyne CC(C)(C)n1cc([C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587582647 HG Annotated Anodyne CN1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)CC1 ZINC000587582654 HG Annotated Anodyne CN1CCC(N2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)CC1 ZINC000587582655 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCN1C(=O)c2ccccc2C1=O ZINC000587582714 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCN1C(=O)c2ccccc2C1=O ZINC000587582715 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCN1C(=O)c2ccccc2C1=O ZINC000587582716 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCN1C(=O)c2ccccc2C1=O ZINC000587582717 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582788 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582789 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582790 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582791 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587583223 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583251 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587583252 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583253 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583254 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CN1C(=O)c2ccccc2C1=O ZINC000587583255 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583256 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CN1C(=O)c2ccccc2C1=O ZINC000587583257 HG Annotated Anodyne C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583332 HG Annotated Anodyne C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583333 HG Annotated Anodyne C[C@]1(c2ccc(-n3cnnn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583334 HG Annotated Anodyne C[C@@]1(c2ccc(-n3cnnn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583335 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583376 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583377 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583378 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583379 HG Annotated Anodyne Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cn1 ZINC000587583722 HG Annotated Anodyne Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cn1 ZINC000587583723 HG Annotated Anodyne Cn1cc(-c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2)cn1 ZINC000587583724 HG Annotated Anodyne Cn1cc(-c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2)cn1 ZINC000587583725 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584186 HG Annotated Anodyne CC1=C[C@]2(CC(=O)N1CCCC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584187 HG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584189 HG Annotated Anodyne CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584192 HG Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584318 HG Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584320 HG Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587584322 HG Annotated Anodyne CCOC(=O)Cn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587584323 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584605 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584606 HG Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584641 HG Annotated Anodyne C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584642 HG Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584643 HG Annotated Anodyne C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584644 HG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585074 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585076 HG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585078 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585080 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CN1C(=O)COc2ccccc21 ZINC000587585086 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CN1C(=O)COc2ccccc21 ZINC000587585087 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CN1C(=O)COc2ccccc21 ZINC000587585089 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CN1C(=O)COc2ccccc21 ZINC000587585090 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCCC1)OCC2=O ZINC000587585282 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCCC1)OCC2=O ZINC000587585283 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCCC1)OCC2=O ZINC000587585285 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCCC1)OCC2=O ZINC000587585287 HG Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585593 HG Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587585594 HG Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585595 HG Annotated Anodyne C[C@@H]1N(C)N(c2ccccc2)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587585596 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C(=O)n1ccnc12 ZINC000587585674 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1C(=O)n1ccnc12 ZINC000587585680 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C(=O)n1ccnc12 ZINC000587585682 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1C(=O)n1ccnc12 ZINC000587585684 HG Annotated Anodyne Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2c(C#N)cnn12 ZINC000587587295 HG Annotated Mild Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2c(C#N)cnn12 ZINC000587587296 HG Annotated Mild Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2c(C#N)cnn12 ZINC000587587297 HG Annotated Mild Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2c(C#N)cnn12 ZINC000587587299 HG Annotated Mild CN1C(=O)[C@H](C#N)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587694 HG Annotated Mild CN1C(=O)[C@H](C#N)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587702 HG Annotated Mild CN1C(=O)[C@H](C#N)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587705 HG Annotated Mild CN1C(=O)[C@H](C#N)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587587709 HG Annotated Mild CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1=O ZINC000587588066 HG Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1=O ZINC000587588073 HG Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1=O ZINC000587588075 HG Annotated Anodyne CCC1=C(C)N[C@@H]2N(CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1=O ZINC000587588077 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588526 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588533 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588535 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588536 HG Annotated Anodyne CN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587588553 HG Annotated Anodyne CN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587588554 HG Annotated Anodyne CN1N=C(C(=O)O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587588555 HG Annotated Anodyne CN1N=C(C(=O)O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587588556 HG Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589229 HG Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589230 HG Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587589231 HG Annotated Anodyne O=C(O)c1cc2c(nc1O)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587589232 HG Annotated Anodyne O=C(O)CN1N=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589382 HG Annotated Anodyne O=C(O)CN1N=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589384 HG Annotated Anodyne O=C(O)CN1N=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589386 HG Annotated Anodyne O=C(O)CN1N=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587589387 HG Annotated Anodyne Cc1nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587589515 HG Annotated Anodyne Cc1nc2ncc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587589516 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587589517 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)n2n1 ZINC000587589518 HG Annotated Anodyne COC(=O)c1cccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589637 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589638 HG Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587589639 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587589640 HG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(N2CCOCC2)c1 ZINC000587590934 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(N2CCOCC2)c1 ZINC000587590935 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(N2CCOCC2)c1 ZINC000587590936 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(N2CCOCC2)c1 ZINC000587590937 HG Annotated Anodyne O=C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CCN1 ZINC000587591416 HG Annotated Anodyne O=C1CN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CCN1 ZINC000587591419 HG Annotated Anodyne O=C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CCN1 ZINC000587591421 HG Annotated Anodyne O=C1CN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CCN1 ZINC000587591423 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591424 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591427 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591429 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591434 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000587591684 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000587591685 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591737 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591738 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591739 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591741 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000587591918 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000587591921 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ncccc12 ZINC000587592331 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c[nH]c2ncccc12 ZINC000587592336 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)O)c1c[nH]c2ncccc12 ZINC000587592338 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)O)c1c[nH]c2ncccc12 ZINC000587592340 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587593213 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587593214 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O ZINC000587593215 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O ZINC000587593217 HG Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587593391 HG Annotated Anodyne CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587593392 HG Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594027 HG Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594030 HG Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594034 HG Annotated Anodyne CN(C)c1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594037 HG Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594468 HG Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594470 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594472 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594473 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587594931 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587594932 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587594934 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587594937 HG Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595126 HG Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595128 HG Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595131 HG Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(COC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595133 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595455 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595456 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595457 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2 ZINC000587595459 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)n1 ZINC000587595969 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(N2CCOCC2)n1 ZINC000587595971 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)n1 ZINC000587595973 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(N2CCOCC2)n1 ZINC000587595975 HG Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596816 HG Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596817 HG Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587596818 HG Annotated Anodyne CCOC(=O)C(=O)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587596819 HG Annotated Anodyne Cn1c(=O)n(C)c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587597037 HG Annotated Anodyne Cn1c(=O)n(C)c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587597039 HG Annotated Anodyne Cn1c(=O)n(C)c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587597041 HG Annotated Anodyne Cn1c(=O)n(C)c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587597043 HG Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597222 HG Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597226 HG Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597227 HG Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597228 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587597534 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587597539 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587597544 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587597548 HG Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597707 HG Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597710 HG Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597712 HG Annotated Anodyne CCOC(=O)[C@H](CCOC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597713 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCOCC1 ZINC000587598130 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCOCC1 ZINC000587598133 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1N1CCOCC1 ZINC000587598135 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1N1CCOCC1 ZINC000587598137 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCCC1)=CC2=O ZINC000587598637 HG Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CN1CCCCC1)=CC2=O ZINC000587598638 HG Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCCC1)=CC2=O ZINC000587598639 HG Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CN1CCCCC1)=CC2=O ZINC000587598640 HG Annotated Mild CN(C)c1ccc2c(c1)N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598697 HG Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598698 HG Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598699 HG Annotated Anodyne CN(C)c1ccc2c(c1)N(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598700 HG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587599017 HG Annotated Anodyne CN1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587599019 HG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)CC1 ZINC000587599021 HG Annotated Anodyne CN1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)CC1 ZINC000587599022 HG Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600127 HG Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600128 HG Annotated Anodyne COc1ccccc1C[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600129 HG Annotated Anodyne COc1ccccc1C[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600130 HG Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601529 HG Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601530 HG Annotated Anodyne COc1cccc(C[C@@]2(C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587601531 HG Annotated Anodyne COc1cccc(C[C@]2(C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587601532 HG Annotated Anodyne O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604046 HG Annotated Anodyne O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604055 HG Annotated Anodyne O=C(O)C(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604056 HG Annotated Anodyne O=C(O)C(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604058 HG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1S(C)(=O)=O ZINC000587605475 HG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1S(C)(=O)=O ZINC000587605483 HG Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1S(C)(=O)=O ZINC000587605484 HG Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1S(C)(=O)=O ZINC000587605485 HG Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605903 HG Annotated Anodyne Cc1cc(C)c([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605904 HG Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605905 HG Annotated Anodyne Cc1cc(C)c([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587605906 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587606214 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587606215 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O ZINC000587606216 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O ZINC000587606217 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606370 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606372 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606375 HG Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C(=O)O)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606376 HG Annotated Anodyne CS(=O)(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606396 HG Annotated Anodyne CS(=O)(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606397 HG Annotated Anodyne CS(=O)(=O)c1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606398 HG Annotated Anodyne CS(=O)(=O)c1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606399 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606911 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606912 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587606913 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587606914 HG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607183 HG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607190 HG Annotated Anodyne CS(=O)(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607191 HG Annotated Anodyne CS(=O)(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607193 HG Annotated Anodyne COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607194 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607197 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607198 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607199 HG Annotated Clean CNS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608160 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608161 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608162 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608163 HG Annotated Anodyne CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587609078 HG Annotated Mild CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C#N ZINC000587609079 HG Annotated Mild CS(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587609080 HG Annotated Mild CS(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C#N ZINC000587609081 HG Annotated Mild CS(=O)(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609110 HG Annotated Anodyne CS(=O)(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609116 HG Annotated Anodyne CS(=O)(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609119 HG Annotated Anodyne CS(=O)(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609122 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587609319 HG Annotated Anodyne C=CN1CC[C@H]([C@@]2(CSC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587609327 HG Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587609329 HG Annotated Anodyne C=CN1CC[C@H]([C@]2(CSC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587609331 HG Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609554 HG Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609555 HG Annotated Anodyne CC[C@]1(C2(C(=O)OC)CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609556 HG Annotated Anodyne CC[C@@]1(C2(C(=O)OC)CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609557 HG Annotated Anodyne Nc1n[nH]cc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610988 HG Annotated Anodyne Nc1n[nH]cc1[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610991 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611184 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611185 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611186 HG Annotated Anodyne CS(=O)(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611188 HG Annotated Anodyne Nc1n[nH]cc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611276 HG Annotated Anodyne Nc1n[nH]cc1[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611278 HG Annotated Anodyne C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611401 HG Annotated Anodyne C[C@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611402 HG Annotated Anodyne C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611403 HG Annotated Anodyne C[C@@]1(c2ccccc2[C@@H](O)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611404 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612176 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612177 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612178 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612179 HG Annotated Anodyne O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612788 HG Annotated Anodyne O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612789 HG Annotated Anodyne O=C(O)c1ccccc1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612790 HG Annotated Anodyne O=C(O)c1ccccc1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612791 HG Annotated Anodyne CN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613002 HG Annotated Anodyne CN1c2ccccc2[C@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613004 HG Annotated Anodyne CN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613007 HG Annotated Anodyne CN1c2ccccc2[C@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613008 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccccc12 ZINC000587613019 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccccc12 ZINC000587613021 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCS(=O)(=O)c1ccccc12 ZINC000587613026 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCS(=O)(=O)c1ccccc12 ZINC000587613029 HG Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613786 HG Annotated Anodyne CCOC(=O)C[C@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613787 HG Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613788 HG Annotated Anodyne CCOC(=O)C[C@@]1(C2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613789 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc2c(c1)OCCO2 ZINC000587613851 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)c1ccc2c(c1)OCCO2 ZINC000587613875 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc2c(c1)OCCO2 ZINC000587613877 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)c1ccc2c(c1)OCCO2 ZINC000587613879 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2o1)C(O)O ZINC000587614972 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2o1)C(O)O ZINC000587614973 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc2ccccc2o1)C(O)O ZINC000587614974 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc2ccccc2o1)C(O)O ZINC000587614975 HG Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616570 HG Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616571 HG Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616572 HG Annotated Anodyne CCOC(=O)[C@@H]1CSCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616573 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCOCC2)s1 ZINC000587617187 HG Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCOCC2)s1 ZINC000587617188 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCOCC2)s1 ZINC000587617190 HG Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCOCC2)s1 ZINC000587617191 HG Annotated Anodyne CN1CCN(c2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587618094 HG Annotated Anodyne CN1CCN(c2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587618096 HG Annotated Anodyne CN1CCN(c2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587618097 HG Annotated Anodyne CN1CCN(c2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587618098 HG Annotated Anodyne C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618255 HG Annotated Anodyne C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618256 HG Annotated Anodyne C[C@]1(c2ccccc2[C@H](O)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618257 HG Annotated Anodyne C[C@@]1(c2ccccc2[C@H](O)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618258 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618891 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618892 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618893 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618894 HG Annotated Anodyne CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C#N ZINC000587620517 HG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC#N)c(C)c2c1 ZINC000587621041 HG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CN(C)C)c2c1 ZINC000587621120 HG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC#N)c2c1 ZINC000587621306 HG Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N(C)C)c2c1 ZINC000587621591 HG Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(NC(C)=O)c2c1 ZINC000587621622 HG Annotated Bother CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621909 HG Annotated Anodyne CC(C)(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cc(C(=O)O)nn1 ZINC000587622353 HG Annotated Anodyne CCn1cc(C(=O)c2c(C(=O)OC)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 ZINC000587622839 HG Annotated Anodyne CCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(=O)OC)cn1 ZINC000587622901 HG Annotated Anodyne Cn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2N2CCOCC2)cn1 ZINC000587622904 HG Annotated Anodyne Cn1nccc1C(=O)c1c(-c2ccnn2C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622911 HG Annotated Anodyne CCn1nccc1C(=O)c1c(C(=O)OC)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623214 HG Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1CCOCC1 ZINC000587623224 HG Annotated Anodyne CCn1nccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(=O)OC ZINC000587623333 HG Annotated Anodyne Cn1cc(C(=O)c2c(-c3cnn(C)c3)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 ZINC000587623406 HG Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623530 HG Annotated Anodyne CCn1ccc(C(=O)c2c(C(=O)OC)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623598 HG Annotated Anodyne Nc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](N)C(=O)O ZINC000587623601 HG Annotated Anodyne Nc1ccccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](N)C(=O)O ZINC000587623602 HG Annotated Anodyne CCn1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(=O)OC)n1 ZINC000587623662 HG Annotated Anodyne COC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)c1cc(C)on1 ZINC000587623888 HG Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1c(=O)oc(=O)c2ccccc21 ZINC000587623964 HG Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)c1C(=O)OC ZINC000587634226 HG Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)c1C(=O)OC ZINC000587634617 HG Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3cccc(F)c23)c1C(=O)OC ZINC000587635002 HG Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(F)ccc23)c1C(=O)OC ZINC000587636400 HG Annotated Anodyne CCOC(=O)Cc1[nH]c2cccc(F)c2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587636690 HG Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cccc(F)c12 ZINC000587636700 HG Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(F)ccc2c1OCCN1C(=O)c2ccccc2C1=O ZINC000587636740 HG Annotated Anodyne CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cc(F)ccc12 ZINC000587636886 HG Annotated Anodyne O=C1COc2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c(C(=O)O)cccc34)cc2N1 ZINC000587637838 HG Annotated Anodyne COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cnn(-c2ccccc2)c1C ZINC000587638387 HG Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2c(C(=O)O)cccc12 ZINC000587638448 HG Annotated Bother CCOC(=O)C(C(=O)OCC)c1[nH]c2c(C(=O)O)cccc2c1CC(F)(F)F ZINC000587638452 HG Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2c(C(=O)O)cccc12 ZINC000587639468 HG Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587639509 HG Annotated Anodyne Cc1[nH]c2c(C(=O)O)cccc2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587639510 HG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)[C@H]4[C@@H](N=CN4C)N(C)C3=O)c2c1 ZINC000587643918 HG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)[C@H]4[C@H](N=CN4C)N(C)C3=O)c2c1 ZINC000587643925 HG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)[C@@H]4[C@H](N=CN4C)N(C)C3=O)c2c1 ZINC000587643926 HG Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C)c(CCCN3C(=O)[C@@H]4[C@@H](N=CN4C)N(C)C3=O)c2c1 ZINC000587643927 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1[nH]c2cccc([N+](=O)[O-])c2c1CC(F)(F)F ZINC000587646408 HG Annotated Bother CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587647415 HG Annotated Bother O=C(CCc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12)ON1C(=O)CCC1=O ZINC000587647633 HG Annotated Mild CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587648055 HG Annotated Bother Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587648833 HG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3cc(Br)ccc3O)c(CC(=O)O)c2c1 ZINC000587649118 HG Annotated Anodyne COC(=O)c1c(-c2cncc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649655 HG Annotated Anodyne Cc1nn(C)cc1-c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)Cl ZINC000587650016 HG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)nc3)c(CN3CCC(N)CC3)c2c1 ZINC000587650097 HG Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(CCl)c(CN3C(=O)c4ccccc4C3=O)c2c1 ZINC000587650139 HG Annotated Reactive CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3F)c(NC(=O)CCC(=O)O)c2c1 ZINC000587650315 HG Annotated Anodyne COC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1NC(=O)OCc1ccccc1 ZINC000587650650 HG Annotated Anodyne Cc1cc2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cn2cc1Br ZINC000587650683 HG Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C1OCCO1 ZINC000587650819 HG Annotated Anodyne Cc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)c(C)c1Br ZINC000587650919 HG Annotated Anodyne COc1ccc(Br)c(CC(=O)n2ncc3ccc(Cl)cc3c2=O)c1N ZINC000587650964 HG Annotated Anodyne Cc1cc(Br)cn2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)nc12 ZINC000587650997 HG Annotated Anodyne O=C(c1cc(Br)cc([N+](=O)[O-])c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651162 HG Annotated Bother O=C(c1cn2cc(Br)ccc2n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587651178 HG Annotated Anodyne O=C(NCC(=O)n1ncc2ccc(Cl)cc2c1=O)c1ccccc1C(F)(F)F ZINC000587651285 HG Annotated Anodyne Cc1c(Br)ccc2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cn12 ZINC000587651371 HG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651448 HG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651449 HG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651450 HG Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2N1 ZINC000587651451 HG Annotated Anodyne Cc1nc(C)c(I)c(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651550 HG Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587651660 HG Annotated Anodyne Nc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(-c2cccc(F)c2)s1 ZINC000587651681 HG Annotated Anodyne Cc1nn(C)cc1-c1cc(C(F)F)nc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651806 HG Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2N1 ZINC000587651867 HG Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2N1 ZINC000587651868 HG Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2N1 ZINC000587651871 HG Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c2N1 ZINC000587651873 HG Annotated Anodyne Cc1c(C(=O)n2ncc3ccc(Cl)cc3c2=O)nnn1-c1ccc(Cl)cc1 ZINC000587651915 HG Annotated Anodyne Nc1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c(-c2ccc(F)cc2)s1 ZINC000587652000 HG Annotated Anodyne O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652052 HG Annotated Anodyne O=C(C1CCN(c2ccc(Cl)nn2)CC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652123 HG Annotated Anodyne Cn1cc(-c2cc(C(F)(F)F)nc(-n3ncc4ccc(Cl)cc4c3=O)n2)cn1 ZINC000587652208 HG Annotated Anodyne Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587652221 HG Annotated Bother O=C(c1ccccc1I)n1ncc2ccc(Cl)cc2c1=O ZINC000587652335 HG Annotated Anodyne O=C(c1cccc(I)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652666 HG Annotated Anodyne O=C(c1ccc(I)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652698 HG Annotated Anodyne Cc1ccc(Cn2cc([N+](=O)[O-])c(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)cc1 ZINC000587652773 HG Annotated Bother O=C(CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2)n1ncc2ccc(Cl)cc2c1=O ZINC000587653086 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\C(=O)n1ncc3ccc(Cl)cc3c1=O)N2 ZINC000587653183 HG Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/C(=O)n1ncc3ccc(Cl)cc3c1=O)N2 ZINC000587653184 HG Annotated Anodyne COc1ccc(-c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n[nH]2)cc1OC ZINC000587653984 HG Annotated Anodyne COc1cc2[nH]c3c(-n4ncc5ccc(Cl)cc5c4=O)ncnc3c2cc1OC ZINC000587654045 HG Annotated Anodyne CS(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)c(Br)c1 ZINC000587654055 HG Annotated Anodyne CC(C)N(C(C)C)S(=O)(=O)c1ccc(-n2ncc3ccc(Cl)cc3c2=O)nc1 ZINC000587654128 HG Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587654208 HG Annotated Anodyne Cn1nc(Br)nc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654212 HG Annotated Anodyne CCCCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O ZINC000587654533 HG Annotated Anodyne COc1cc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc(OC)c1OC ZINC000587654845 HG Annotated Anodyne CC(C)CCn1nc(C(=O)n2ncc3ccc(Cl)cc3c2=O)c2ccccc2c1=O ZINC000587654852 HG Annotated Anodyne COc1ccc(CCNC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1OC ZINC000587655138 HG Annotated Anodyne O=C(O)c1cc(Cl)nnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655422 HG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnnn1-c1ccccc1 ZINC000587655792 HG Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1ccccc1 ZINC000587655896 HG Annotated Anodyne O=C1CCCCCN1CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656116 HG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-n2ccnc2)nn1 ZINC000587656219 HG Annotated Anodyne O=C(Nc1ccccn1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656425 HG Annotated Anodyne CC(=O)Nc1cncc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 ZINC000587656525 HG Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(-n2cccn2)nn1 ZINC000587656739 HG Annotated Anodyne O=C(c1[nH]nc([N+](=O)[O-])c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656978 HG Annotated Bother O=C(CCCN1CCOCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656989 HG Annotated Anodyne Cn1nc(Br)nc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657218 HG Annotated Anodyne O=C(c1n[nH]cc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657223 HG Annotated Anodyne CN(C)c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccn1 ZINC000587657308 HG Annotated Anodyne CC(=O)N1CCC[C@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587657362 HG Annotated Anodyne CC(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C1 ZINC000587657363 HG Annotated Anodyne Cc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)CC2 ZINC000587657997 HG Annotated Anodyne Cc1nnc2n1C[C@H](C(=O)n1nc(-c3ccccc3)c3cc(F)c(F)cc3c1=O)CC2 ZINC000587657999 HG Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1cccc(F)c1 ZINC000587658312 HG Annotated Anodyne CN(C)CCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659206 HG Annotated Anodyne CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C ZINC000587659994 HG Annotated Anodyne CC(=O)Nc1cncc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 ZINC000587660001 HG Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)CC2 ZINC000587660503 HG Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)CC2 ZINC000587660509 HG Annotated Anodyne Cc1c([N+](=O)[O-])cnn1CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660603 HG Annotated Bother C[C@H]1CN(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@H](C)O1 ZINC000587660645 HG Annotated Anodyne C[C@@H]1CN(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000587660647 HG Annotated Anodyne C[C@H]1CN(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)C[C@@H](C)O1 ZINC000587660648 HG Annotated Anodyne C[C@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587660711 HG Annotated Bother C[C@@H](C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587660713 HG Annotated Bother O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1ccccc1 ZINC000587660729 HG Annotated Anodyne O=C(NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)c1cccs1 ZINC000587660847 HG Annotated Anodyne CNS(=O)(=O)Cc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587660931 HG Annotated Anodyne O=C(CCn1cc([N+](=O)[O-])cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660976 HG Annotated Bother Cc1nn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)c1[N+](=O)[O-] ZINC000587661032 HG Annotated Bother CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587661089 HG Annotated Bother Cc1nn(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1[N+](=O)[O-] ZINC000587661091 HG Annotated Bother CC(C)(C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)n1cc([N+](=O)[O-])cn1 ZINC000587661124 HG Annotated Bother CCOC(=O)c1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1C ZINC000587661283 HG Annotated Anodyne Cc1cc([N+](=O)[O-])nn1CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661571 HG Annotated Bother O=C(c1cnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1)N1CCCC1 ZINC000587661599 HG Annotated Anodyne Nc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc([N+](=O)[O-])c1 ZINC000587661955 HG Annotated Bother CC(C)Cn1[nH]c(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1=O ZINC000587662203 HG Annotated Anodyne C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662257 HG Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662260 HG Annotated Bother O=C(CCn1ccc([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662270 HG Annotated Bother Cc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)CC2 ZINC000587662301 HG Annotated Anodyne Cc1nnc2n1C[C@H](C(=O)n1nc(-c3ccc(F)cc3)c3ccccc3c1=O)CC2 ZINC000587662303 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)NCCCOC)c(=O)c3ccccc23)c(O)c1 ZINC000587664143 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664151 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cocn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664336 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664634 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664731 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCOC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664734 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587664741 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587664742 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cncnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664845 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cnccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664846 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3cccnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665086 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)cc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665457 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OC)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665468 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnco3)c(=O)c3ccccc23)c(O)c1 ZINC000587665577 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccnc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665915 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665939 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ccnnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665945 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665987 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(O)ncn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665989 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666010 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(Cc3ncccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666058 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccon3)c(=O)c3ccccc23)c(O)c1 ZINC000587666071 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666521 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666568 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn[nH]c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666614 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666863 HG Annotated Anodyne CCOC(=O)CC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587666888 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667192 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667469 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667879 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3cccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667909 HG Annotated Anodyne CCNCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587668045 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]cnc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668053 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnc[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587668061 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c[nH]nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668074 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668086 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nccn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668108 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cc[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668548 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnccn3)c(=O)c3ccccc23)cc1OCC ZINC000587668825 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnc[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587669089 HG Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csnn3)c(=O)c3ccccc23)c(O)c1 ZINC000587669323 HG Annotated Anodyne CCOc1ccc(-c2nn(-c3ccnc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669905 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587670185 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nccn3C)c(=O)c3ccccc23)cc1OCC ZINC000587670198 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csnn3)c(=O)c3ccccc23)cc1OCC ZINC000587670228 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccnn3)c(=O)c3ccccc23)cc1OCC ZINC000587670277 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnn3C)c(=O)c3ccccc23)cc1OCC ZINC000587670317 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccncn3)c(=O)c3ccccc23)cc1OCC ZINC000587670391 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)NCCOC)c(=O)c3ccccc23)cc1OCC ZINC000587670422 HG Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(O)nc(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670527 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncccn3)c(=O)c3ccccc23)cc1OCC ZINC000587670532 HG Annotated Anodyne CCOC(=O)C(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587670565 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670585 HG Annotated Anodyne CCOC(=O)CC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587670730 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670788 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn[nH]c3)c(=O)c3ccccc23)cc1OCC ZINC000587671132 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cccn3)c(=O)c3ccccc23)cc1OCC ZINC000587671225 HG Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671244 HG Annotated Anodyne COC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671555 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671558 HG Annotated Reactive COC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671559 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671561 HG Annotated Reactive COC(=O)[C@]1([C@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671587 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671588 HG Annotated Reactive COC(=O)[C@]1([C@H](C)Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671589 HG Annotated Reactive COC(=O)[C@]1([C@@H](C)Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671590 HG Annotated Reactive CCOc1ccc(-c2nn(C(=O)C(=O)NC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672454 HG Annotated Anodyne Cc1nonc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672486 HG Annotated Reactive Cc1nonc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672487 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672488 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672489 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673461 HG Annotated Reactive CCOC(=O)[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673462 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673463 HG Annotated Reactive CCOC(=O)[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673464 HG Annotated Reactive Cc1nonc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673831 HG Annotated Reactive Cc1nonc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673832 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673833 HG Annotated Reactive Cc1nonc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673834 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674629 HG Annotated Reactive CCOC(=O)[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674630 HG Annotated Reactive CCOC(=O)[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674631 HG Annotated Reactive CCOC(=O)[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674632 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cnc2N)N1 ZINC000587677424 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cnc2N)N1 ZINC000587677425 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Br)cnc2N)N1 ZINC000587677426 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Br)cnc2N)N1 ZINC000587677427 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)cnc2N)N1 ZINC000587679779 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cnc2N)N1 ZINC000587679781 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Br)cnc2N)N1 ZINC000587679784 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Br)cnc2N)N1 ZINC000587679787 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N)=CN(C)C=C2Br ZINC000587680248 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N)=CN(C)C=C2Br ZINC000587680277 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(N)=CN(C)C=C2Br ZINC000587680279 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(N)=CN(C)C=C2Br ZINC000587680281 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N)=CN(C)C=C2Br ZINC000587681522 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N)=CN(C)C=C2Br ZINC000587681524 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(N)=CN(C)C=C2Br ZINC000587681526 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(N)=CN(C)C=C2Br ZINC000587681528 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587681784 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587681785 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587681786 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587681787 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587682160 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587682161 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587682162 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587682163 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587683996 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587683997 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587683998 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(N)=O)n(C)c2)N1 ZINC000587683999 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587684504 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587684506 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587684508 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(N)=O)co2)N1 ZINC000587684510 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N2CCOCC2)(CCl)N1 ZINC000587685785 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N2CCOCC2)(CCl)N1 ZINC000587685789 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N2CCOCC2)(CCl)N1 ZINC000587685792 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N2CCOCC2)(CCl)N1 ZINC000587685793 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N2CCOCC2)(CCl)N1 ZINC000587686336 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N2CCOCC2)(CCl)N1 ZINC000587686337 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N2CCOCC2)(CCl)N1 ZINC000587686338 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N2CCOCC2)(CCl)N1 ZINC000587686339 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686571 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686584 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686591 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686593 HG Annotated Reactive CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687009 HG Annotated Reactive CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687018 HG Annotated Reactive CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687021 HG Annotated Reactive CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687023 HG Annotated Reactive CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687409 HG Annotated Reactive CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687411 HG Annotated Reactive CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687413 HG Annotated Reactive CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687415 HG Annotated Reactive COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689346 HG Annotated Reactive COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689348 HG Annotated Reactive COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689351 HG Annotated Reactive COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689352 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689418 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689419 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689420 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689421 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689442 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689443 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689444 HG Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689445 HG Annotated Reactive COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689874 HG Annotated Reactive COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689875 HG Annotated Reactive COC(=O)[C@]1([C@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689876 HG Annotated Reactive COC(=O)[C@]1([C@@H](Cl)C(=O)C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689877 HG Annotated Reactive CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689937 HG Annotated Reactive CCOC(=O)/C(=C(/C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689938 HG Annotated Reactive CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689939 HG Annotated Reactive CCOC(=O)/C(=C(\C)N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689941 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689967 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689968 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689969 HG Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689970 HG Annotated Reactive CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587690114 HG Annotated Reactive CCOC(=O)[C@]1([C@@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587690115 HG Annotated Reactive CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587690116 HG Annotated Reactive CCOC(=O)[C@]1([C@H](Cl)C(C)=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587690117 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587697369 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587697379 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587697382 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587697385 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587701499 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587701500 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587701502 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(C(O)O)N1 ZINC000587701504 HG Annotated Anodyne CC(C)N1N=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587701848 HG Annotated Reactive CC(C)N1N=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587701953 HG Annotated Reactive CC(C)N1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587701959 HG Annotated Reactive CC(C)N1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587701963 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587703737 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587703738 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587703740 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587703742 HG Annotated Anodyne CCCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587704613 HG Annotated Reactive CCCN1N=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587704614 HG Annotated Reactive CCCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587704615 HG Annotated Reactive CCCN1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587704616 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587704789 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587704790 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587704791 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587704792 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587704993 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587704995 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587704998 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2nc(Cl)cc3=O)N1 ZINC000587705001 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587705157 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587705158 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587705159 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Cl)c2)(C(O)O)N1 ZINC000587705160 HG Annotated Anodyne CC(C)N1N=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587707418 HG Annotated Reactive CC(C)N1N=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587707419 HG Annotated Reactive CC(C)N1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](Cl)C1=O ZINC000587707420 HG Annotated Reactive CC(C)N1N=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](Cl)C1=O ZINC000587707421 HG Annotated Reactive CCCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587708176 HG Annotated Reactive CCCN1N=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587708182 HG Annotated Reactive CCCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](Cl)C1=O ZINC000587708187 HG Annotated Reactive CCCN1N=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](Cl)C1=O ZINC000587708191 HG Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714622 HG Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714645 HG Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714646 HG Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714649 HG Annotated Reactive CCOC(=O)[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717871 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717889 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717891 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587717895 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587718595 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587718604 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587718606 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587718608 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719025 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719026 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719027 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719028 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719895 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719896 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719898 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719900 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587720295 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587720297 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587720300 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587720301 HG Annotated Anodyne COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721365 HG Annotated Reactive COC(=O)[C@H](Cl)[C@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721366 HG Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721367 HG Annotated Reactive COC(=O)[C@H](Cl)[C@@]1(C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721368 HG Annotated Reactive CCOC(=O)[C@@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722204 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722205 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722206 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722207 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587723270 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587723271 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587723272 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2cnn(C)c2)N1 ZINC000587723273 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587723410 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587723411 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587723412 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(c2ccn(C)n2)N1 ZINC000587723413 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587729302 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587729303 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587729304 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587729305 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587730358 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587730374 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587730378 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587730379 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587733402 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587733405 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587733407 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cc(F)cc12 ZINC000587733410 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587733892 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587733897 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587733900 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587733903 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587735880 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587735882 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587735886 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(F)c([N+](=O)[O-])cc12 ZINC000587735888 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587737074 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587737076 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587737078 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccc(F)cc12 ZINC000587737081 HG Annotated Reactive CCOC(=O)[C@@]1(c2cccnc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737256 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737257 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737258 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737259 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738194 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738195 HG Annotated Anodyne CCOC(=O)[C@]1(c2cccnc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738196 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cccnc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738197 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738240 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738241 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738242 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738243 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738364 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738365 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738366 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(F)cc([N+](=O)[O-])cc12 ZINC000587738367 HG Annotated Bother CNC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739518 HG Annotated Anodyne CNC(=O)COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739519 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739520 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739521 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587739979 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587739985 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587739988 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587739991 HG Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740328 HG Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740335 HG Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740337 HG Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740340 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587740358 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587740364 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587740365 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587740367 HG Annotated Anodyne C[C@H](Oc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(N)=O ZINC000587740433 HG Annotated Anodyne C[C@H](Oc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1)C(N)=O ZINC000587740437 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O[C@H](C)C(N)=O)c2)N1 ZINC000587740440 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O[C@H](C)C(N)=O)c2)N1 ZINC000587740442 HG Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741206 HG Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741209 HG Annotated Anodyne COC(C)(OC)[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741212 HG Annotated Anodyne COC(C)(OC)[C@@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741214 HG Annotated Anodyne CNC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741218 HG Annotated Anodyne CNC(=O)COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741221 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741222 HG Annotated Anodyne CNC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587741224 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587741811 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587741819 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587741822 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587741825 HG Annotated Clean CNC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742149 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742152 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742155 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742158 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587742771 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587742772 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587742774 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(CCO)CCO)cc2)N1 ZINC000587742776 HG Annotated Clean Cc1ccnc(NC(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587742784 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587742786 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587742787 HG Annotated Anodyne Cc1ccnc(NC(=O)C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587742788 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742966 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742967 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742968 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742970 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743268 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743270 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743272 HG Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743274 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743390 HG Annotated Anodyne CNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743392 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743394 HG Annotated Anodyne CNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743397 HG Annotated Anodyne CNC(=C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587744235 HG Annotated Anodyne CNC(=C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587744241 HG Annotated Anodyne CNC(=C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587744243 HG Annotated Anodyne CNC(=C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)NC ZINC000587744246 HG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587744544 HG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587744545 HG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587744546 HG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O ZINC000587744547 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587745300 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587745301 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587745302 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587745303 HG Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(N)=O ZINC000587745702 HG Annotated Anodyne C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)C(N)=O ZINC000587745705 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O[C@H](C)C(N)=O)cc2)N1 ZINC000587745707 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O[C@H](C)C(N)=O)cc2)N1 ZINC000587745709 HG Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(N)=O ZINC000587745712 HG Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(N)=O ZINC000587745715 HG Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(N)=O ZINC000587745717 HG Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC(N)=O ZINC000587745720 HG Annotated Anodyne CNC(=C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587746227 HG Annotated Anodyne CNC(=C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587746228 HG Annotated Anodyne CNC(=C[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587746229 HG Annotated Anodyne CNC(=C[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)NC ZINC000587746230 HG Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(N)=O ZINC000587746607 HG Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(N)=O ZINC000587746608 HG Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(N)=O ZINC000587746609 HG Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC(N)=O ZINC000587746610 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587746654 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587746655 HG Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587746656 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587746657 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587747017 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587747018 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587747019 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCC(N)=O)N1 ZINC000587747021 HG Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747052 HG Annotated Reactive Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747053 HG Annotated Reactive Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747054 HG Annotated Reactive Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(C=O)=C(N)O2 ZINC000587747055 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587747428 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587747430 HG Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587747433 HG Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=C(N)Oc1ccccc12 ZINC000587747434 HG Annotated Reactive Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587747743 HG Annotated Reactive Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587747744 HG Annotated Reactive Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587747745 HG Annotated Reactive Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(C=O)=C(N)O2 ZINC000587747746 HG Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C[C@H](N)C(=O)O)cc2)N1 ZINC000587748870 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C[C@H](N)C(=O)O)cc2)N1 ZINC000587748871 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C[C@H](N)C(=O)O)cc2)N1 ZINC000587748872 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C[C@H](N)C(=O)O)cc2)N1 ZINC000587748873 HG Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749976 HG Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749978 HG Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749980 HG Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O ZINC000587749981 HG Annotated Anodyne C[C@H](Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(N)=O ZINC000587750330 HG Annotated Anodyne C[C@H](Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1)C(N)=O ZINC000587750331 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O[C@H](C)C(N)=O)cc2)N1 ZINC000587750332 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O[C@H](C)C(N)=O)cc2)N1 ZINC000587750333 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587750405 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587750408 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587750438 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCC(N)=O)cc2)N1 ZINC000587750439 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCC(N)=O)N1 ZINC000587750490 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCCC(N)=O)N1 ZINC000587750496 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCC(N)=O)N1 ZINC000587750498 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCCC(N)=O)N1 ZINC000587750501 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587750848 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587750854 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587750856 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587750857 HG Annotated Bother C[C@H](Oc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(N)=O ZINC000587751238 HG Annotated Anodyne C[C@H](Oc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1)C(N)=O ZINC000587751240 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O[C@H](C)C(N)=O)c2)N1 ZINC000587751242 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O[C@H](C)C(N)=O)c2)N1 ZINC000587751244 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751713 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751729 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751730 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751732 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCC(N)=O)N1 ZINC000587751911 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCCC(N)=O)N1 ZINC000587751912 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCC(N)=O)N1 ZINC000587751913 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCCC(N)=O)N1 ZINC000587751914 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752741 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752743 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752745 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587752746 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587752854 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587752855 HG Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587752856 HG Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587752857 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587753395 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587753396 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587753397 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c([N+](=O)[O-])cccc12 ZINC000587753398 HG Annotated Bother CCOC(=O)CCCC(=O)NC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754126 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754132 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754134 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754136 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587754374 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587754376 HG Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587754378 HG Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000587754381 HG Annotated Bother COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754693 HG Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754695 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754697 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754699 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754732 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cncn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754733 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754735 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cncn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754736 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755380 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755382 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755384 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755386 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755399 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755401 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755402 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CCOCC2)N1 ZINC000587755404 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755494 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755517 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755520 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755521 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756030 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756031 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756032 HG Annotated Anodyne Cc1nn(C)c(N2CCOCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756033 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757002 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757005 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757006 HG Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757007 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757527 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757528 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757529 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587757530 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758140 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758141 HG Annotated Anodyne COC(=O)C[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758142 HG Annotated Anodyne COC(=O)C[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587758143 HG Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758560 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758562 HG Annotated Anodyne COC(=O)/C(=C\N(C)C)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758564 HG Annotated Anodyne COC(=O)/C(=C/N(C)C)[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758566 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587758952 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587759052 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587759053 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587759054 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759293 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759295 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759297 HG Annotated Anodyne CCOC(=O)C[C@]1(c2nccn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759299 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587759460 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587759462 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587759464 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587759465 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587759677 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587759682 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587759684 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587759686 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759694 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759696 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759697 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759698 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759985 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759987 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759989 HG Annotated Anodyne Cc1nn(CC(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759991 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](OC)C1 ZINC000587760184 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](OC)C1 ZINC000587760185 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](OC)C1 ZINC000587760186 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](OC)C1 ZINC000587760187 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](OC)C1 ZINC000587761035 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](OC)C1 ZINC000587761036 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](OC)C1 ZINC000587761037 HG Annotated Anodyne CCOC(=O)N1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](OC)C1 ZINC000587761038 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587761119 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587761120 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587761121 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587761122 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761240 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761249 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761251 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761252 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761254 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761259 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761261 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587761263 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587761383 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587761384 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587761385 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587761386 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761541 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761542 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761543 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587761544 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587761639 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587761640 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587761641 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C ZINC000587761642 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761695 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761696 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761697 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2cnn(C(C)(C)C)c2)N1 ZINC000587761698 HG Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CN1C ZINC000587761815 HG Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CN1C ZINC000587761816 HG Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CN1C ZINC000587761817 HG Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OCC(=O)O)=CN1C ZINC000587761818 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587762084 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587762085 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587762086 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3cnn(C)c3)nc2)N1 ZINC000587762087 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587762392 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587762393 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587762394 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-n3cnnn3)cc2)N1 ZINC000587762395 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587762416 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587762417 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587762418 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccnc3)nn2)N1 ZINC000587762419 HG Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CN1C ZINC000587762424 HG Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CN1C ZINC000587762425 HG Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CN1C ZINC000587762426 HG Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OCC(=O)O)=CN1C ZINC000587762427 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587762456 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587762457 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587762458 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2-c2cnn(C)c2)N1 ZINC000587762459 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762590 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762591 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762592 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587762593 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587762680 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587762681 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587762682 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-n3cnnn3)c2)N1 ZINC000587762683 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762786 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C)nn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762788 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762790 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C)nn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762791 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763040 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763041 HG Annotated Anodyne Cc1c([C@]2(/C=C\N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763042 HG Annotated Anodyne Cc1c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C ZINC000587763043 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763240 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763241 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763242 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587763243 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763402 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763403 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763404 HG Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763405 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763410 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763411 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763412 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN2C(=O)c3ccccc3C2=O)N1 ZINC000587763413 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764152 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764153 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764154 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764155 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587764236 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587764237 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587764238 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587764239 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2C#N ZINC000587764676 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)C(=O)[C@H]2C#N ZINC000587764677 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@H]2C#N ZINC000587764678 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2C#N ZINC000587764681 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3cnccn3)CC2)N1 ZINC000587764907 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)c3cnccn3)CC2)N1 ZINC000587764908 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587765030 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587765031 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587765032 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCNC(=O)C3)cc2)N1 ZINC000587765033 HG Annotated Clean CCOC(=O)C[C@]1(CN2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765231 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765237 HG Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765240 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765241 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765250 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765252 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765254 HG Annotated Anodyne CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765257 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587765540 HG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587765541 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587765542 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587765543 HG Annotated Mild CCOC(=O)C[C@]1(CN2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765600 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765601 HG Annotated Anodyne CCOC(=O)C[C@]1(CN2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765602 HG Annotated Anodyne CCOC(=O)C[C@@]1(CN2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765603 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587765648 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587765649 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587765650 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587765651 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587766085 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587766086 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587766087 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587766088 HG Annotated Clean CCOC(=O)[C@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766341 HG Annotated Anodyne CCOC(=O)[C@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766343 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766345 HG Annotated Anodyne CCOC(=O)[C@@]1(c2cnn(CC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766347 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766706 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766737 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766738 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766740 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766741 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766755 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587766757 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766764 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766771 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766776 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587767258 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587767270 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587767276 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587767282 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767295 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767297 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767299 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767301 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767860 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767861 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767864 HG Annotated Anodyne Cc1nn(C)cc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587767867 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767977 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767980 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767982 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767983 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768395 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768398 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768401 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768403 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768636 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768637 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768638 HG Annotated Anodyne Cc1nc(O)c(C(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587768640 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3cnccn3)CC2)N1 ZINC000587768688 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)c3cnccn3)CC2)N1 ZINC000587768691 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587768824 HG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587768827 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587768830 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CN3CCCCC3)=CC2=O)N1 ZINC000587768832 HG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768841 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768843 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768845 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCCCC3)OCC2=O)N1 ZINC000587768846 HG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768949 HG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768950 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768951 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768952 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769594 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769595 HG Annotated Anodyne CC(=O)N1C(=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769596 HG Annotated Anodyne CC(=O)N1C(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587769597 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769714 HG Annotated Anodyne CCOC(=O)CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587769715 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587769839 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587769843 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587769845 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587769847 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587770154 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587770156 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587770157 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587770158 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587770463 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587770471 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587770474 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587770478 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587770809 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587770810 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587770811 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587770812 HG Annotated Anodyne COC(=O)CCCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770996 HG Annotated Anodyne COC(=O)CCCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770998 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771143 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771154 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771156 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587771159 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587771391 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587771392 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587771393 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=NN(C)c1ccccc12 ZINC000587771394 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587771434 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587771435 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587771436 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(N)=O)c3ccccc32)N1 ZINC000587771437 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772545 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587772552 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587772554 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587772556 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=NN(CC(=O)O)c3ccccc32)N1 ZINC000587772558 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772572 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772575 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772577 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)C(=O)[C@H]2C#N ZINC000587772818 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2C#N ZINC000587772819 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@H]2C#N ZINC000587772821 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)C(=O)[C@@H]2C#N ZINC000587772824 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773639 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773641 HG Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773642 HG Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587773644 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774539 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774541 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774542 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774543 HG Annotated Mild CCOC(=O)[C@]1(c2ccc(OC)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774585 HG Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774587 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774588 HG Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)nc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587774589 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCOCC2)N1 ZINC000587774604 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2N2CCOCC2)N1 ZINC000587774605 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCOCC2)N1 ZINC000587774606 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2N2CCOCC2)N1 ZINC000587774607 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774709 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774710 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774711 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C=O)c2cccc(C(=O)O)n2)N1 ZINC000587774712 HG Annotated Mild CCOC(=O)C1=CNn2cccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774789 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774790 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774791 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587774792 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587774824 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587774825 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587774826 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587774827 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587774864 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587774865 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587774866 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587774867 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587775128 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587775129 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587775130 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCOCC3)nc2)N1 ZINC000587775131 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587775365 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587775366 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587775367 HG Annotated Anodyne CCOC(=O)C1=CNn2cccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587775368 HG Annotated Anodyne COC(=O)c1cccc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775401 HG Annotated Mild COC(=O)c1cccc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775402 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775403 HG Annotated Mild COC(=O)c1cccc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587775404 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587775481 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587775484 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587775487 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C)c1cc(N(C)C)ccc12 ZINC000587775490 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587775580 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587775582 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587775584 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(N3CCOCC3)n2)N1 ZINC000587775705 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775902 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775904 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775905 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587775907 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776633 HG Annotated Anodyne CCOC(=O)C[C@@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776635 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776636 HG Annotated Anodyne CCOC(=O)C[C@]1(c2cnccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587776638 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCOCC2)N1 ZINC000587776693 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2N2CCOCC2)N1 ZINC000587776694 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCOCC2)N1 ZINC000587776695 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2N2CCOCC2)N1 ZINC000587776696 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587777038 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587777039 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587777040 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)n(C)c(=O)n3C)N1 ZINC000587777041 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587777105 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587777107 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587777109 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N3CCOCC3)c2)N1 ZINC000587777111 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778147 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778149 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccncc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778151 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccncc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778153 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779056 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779057 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccncc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779059 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccncc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587779060 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC(=O)OCc3ccccc3)nc2c1 ZINC000587781347 HG Annotated Anodyne COC(=O)Cc1ccccc1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587783229 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCOCC3CC3)[nH]c2c1 ZINC000587783397 HG Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCOCC4CC4)[nH]c3c2)cc1 ZINC000587783503 HG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587784480 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587784684 HG Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587784687 HG Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587784734 HG Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 ZINC000587784738 HG Annotated Clean COc1cc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(O)c1O ZINC000587785265 HG Annotated Clean COc1cc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(O)c1O ZINC000587785266 HG Annotated Clean COc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587785281 HG Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(O)c1O ZINC000587785282 HG Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587785959 HG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnncc2[nH]1 ZINC000587786178 HG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cncnc2[nH]1 ZINC000587786194 HG Annotated Anodyne COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c1OC ZINC000587786244 HG Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ncc[nH]c-2n1 ZINC000587786249 HG Annotated Anodyne COc1cc(/C=C\c2nc3cc(I)cnc3[nH]2)cc(O)c1O ZINC000587786423 HG Annotated Clean COc1cc(/C=C/c2nc3cc(I)cnc3[nH]2)cc(O)c1O ZINC000587786446 HG Annotated Clean COc1ccc(C=O)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1OC ZINC000587786622 HG Annotated Anodyne COc1ccc(C=O)c(-c2nc3ncc(I)cc3[nH]2)c1OC ZINC000587787234 HG Annotated Anodyne COC(=O)C[C@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587787821 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789195 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789202 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789204 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587789207 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587789614 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587789621 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587789627 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587789631 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587789732 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587789734 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587789737 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587789738 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789832 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789844 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789852 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587789857 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)N2NC=NC2=N1 ZINC000587790024 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NC=NC2=N1 ZINC000587790041 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)N2NC=NC2=N1 ZINC000587790042 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587790142 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587790147 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587790148 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587790149 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)N2NC=NC2=N1 ZINC000587790327 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NC=NC2=N1 ZINC000587790408 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NC=NC2=N1 ZINC000587790410 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)N2NC=NC2=N1 ZINC000587790411 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)N2NC=NC2=N1 ZINC000587790413 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587790953 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587790954 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587790955 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587790956 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Cn2ncnc2N1C ZINC000587790982 HG Annotated Anodyne CC1=C([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)Cn2ncnc2N1C ZINC000587790984 HG Annotated Anodyne CC1=C([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Cn2ncnc2N1C ZINC000587790986 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)Cn2ncnc2N1C ZINC000587790988 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587791132 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587791135 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587791136 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587791137 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587791154 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587791155 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587791156 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ccc(C(=O)O)cc12 ZINC000587791157 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587791239 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587791240 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587791241 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCO3 ZINC000587791242 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792171 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792185 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(CCO)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792187 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(CCO)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792189 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792220 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792221 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792224 HG Annotated Anodyne COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792226 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792468 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792469 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792470 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792471 HG Annotated Anodyne CC1=C([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Cn2ncnc2N1C ZINC000587792587 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)Cn2ncnc2N1C ZINC000587792589 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Cn2ncnc2N1C ZINC000587792591 HG Annotated Anodyne CC1=C([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)Cn2ncnc2N1C ZINC000587792592 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587792662 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587792663 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587792664 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587792666 HG Annotated Clean Cc1nc2ncc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 ZINC000587793218 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 ZINC000587793222 HG Annotated Anodyne Cc1nc2ncc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 ZINC000587793224 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)n2n1 ZINC000587793226 HG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793376 HG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793378 HG Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793380 HG Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793383 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2nnnc2N1C ZINC000587793886 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2nnnc2N1C ZINC000587793890 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)n2nnnc2N1C ZINC000587793891 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)n2nnnc2N1C ZINC000587793893 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794198 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794202 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794207 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794212 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794280 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794281 HG Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794282 HG Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587794283 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587794567 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587794569 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587794570 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1c(C(=O)O)cccc12 ZINC000587794571 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795275 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795277 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795279 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795281 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795297 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795327 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795330 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795332 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795335 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795336 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795338 HG Annotated Anodyne CCOC(=O)[C@H](CC(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795340 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795380 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795381 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795382 HG Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795383 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 ZINC000587795459 HG Annotated Anodyne Cc1nc2ncc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 ZINC000587795462 HG Annotated Anodyne Cc1nc2ncc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 ZINC000587795464 HG Annotated Anodyne Cc1nc2ncc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)n2n1 ZINC000587795468 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795612 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795613 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795614 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795615 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795907 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795912 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795917 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587795921 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587796184 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587796187 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587796188 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C3N=C4N=CNN4C=C32)N1 ZINC000587796189 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796366 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796367 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796368 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796369 HG Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587796397 HG Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587796399 HG Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587796402 HG Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O ZINC000587796404 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796418 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796426 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796428 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796429 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587796596 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587796597 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587796598 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(C(=O)O)ccc12 ZINC000587796599 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796762 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796764 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796766 HG Annotated Anodyne CCOC(=O)[C@](C)(OC(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587796769 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797167 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797168 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797169 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797170 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797189 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797190 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797555 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797557 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797591 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797592 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797594 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797595 HG Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797619 HG Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797621 HG Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587797638 HG Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587797640 HG Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587797642 HG Annotated Anodyne CCOC(=O)[C@H](C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O ZINC000587797643 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797711 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797713 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797715 HG Annotated Anodyne C=C1N=C2N=CNN2C(C)=C1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797717 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 ZINC000587797719 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587797930 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587797931 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587797932 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2 ZINC000587797933 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587798039 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587798043 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587798047 HG Annotated Anodyne COc1cc2c(c(OC)c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2 ZINC000587798050 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798176 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798177 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798178 HG Annotated Anodyne CCOC(=O)C[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798179 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587798272 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587798273 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587798274 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N(C)C)ccc12 ZINC000587798275 HG Annotated Clean CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2nnnc2N1C ZINC000587798346 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2nnnc2N1C ZINC000587798347 HG Annotated Anodyne CC1=C([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)n2nnnc2N1C ZINC000587798348 HG Annotated Anodyne CC1=C([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)n2nnnc2N1C ZINC000587798349 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3c(C=O)ccc(OC)c3OC)nc2c1 ZINC000587798384 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798602 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798603 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(CCO)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798604 HG Annotated Anodyne CCOC(=O)C(C)(C)[C@@]1(CCO)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587798605 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798606 HG Annotated Anodyne CCOC(=O)[C@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798607 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798608 HG Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798609 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798970 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798971 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798972 HG Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798973 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799006 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799007 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799008 HG Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799009 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799948 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799949 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799950 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799951 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799956 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799957 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799958 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H](C)CC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799959 HG Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800414 HG Annotated Anodyne CCOC(=O)CC1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587800415 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800444 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800445 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800446 HG Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800447 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587800526 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587800527 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587800528 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587800529 HG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800707 HG Annotated Anodyne CCOC(=O)CC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800709 HG Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800711 HG Annotated Anodyne CCOC(=O)CC[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587800713 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587801487 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587801488 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587801489 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2c[nH]c3ncccc23)N1 ZINC000587801490 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802906 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802907 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802909 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587802910 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803446 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803447 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803448 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803450 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803682 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803683 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803685 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803687 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803806 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803815 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803818 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587803820 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804201 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804202 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804203 HG Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804204 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587804701 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587804705 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587804710 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587804713 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804790 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804791 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804793 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804795 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805171 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805173 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805174 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805175 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806086 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806087 HG Annotated Anodyne COC(=O)[C@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806089 HG Annotated Anodyne COC(=O)[C@@]1(CC(=O)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806090 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806635 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@@]1(CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806637 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806639 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587806641 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806868 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806869 HG Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ncccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806870 HG Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ncccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806871 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587807191 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587807194 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587807197 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587807201 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808260 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808261 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808262 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808263 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809130 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809132 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809135 HG Annotated Anodyne COC(=O)CC[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809138 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810062 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810066 HG Annotated Anodyne COC(=O)C(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810070 HG Annotated Anodyne COC(=O)C(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810073 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810562 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810565 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810569 HG Annotated Anodyne CCC(=O)[C@H](C(=O)OC)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810571 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587810866 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587810868 HG Annotated Anodyne COc1cc([C@]2([C@H](C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587810870 HG Annotated Anodyne COc1cc([C@]2([C@@H](C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587810872 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@]2(CC1(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811286 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@]2(CC1(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811287 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@]2(CC1(C)C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811288 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@]2(CC1(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811289 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@]2(CC1(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811929 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@]2(CC1(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811931 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@]2(CC1(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811933 HG Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@]2(CC1(C)C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587811935 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812376 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812380 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812383 HG Annotated Anodyne COC(=O)[C@@H]1C(C)(C)CC(=O)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812386 HG Annotated Anodyne CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818450 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818451 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818452 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818453 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587818996 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587818998 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587819001 HG Annotated Clean CC[C@@H]1C(=O)C(=O)[C@H](CC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587819008 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587820494 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587820499 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587820500 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587820503 HG Annotated Clean COC(=O)CC1(O)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822240 HG Annotated Anodyne COC(=O)CC1(O)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587822241 HG Annotated Anodyne COC(=O)CC1(O)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822269 HG Annotated Anodyne COC(=O)CC1(O)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822270 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587823970 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587823972 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587823974 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(O)c(O)c2)(C(=O)O)N1 ZINC000587823976 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587824971 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587824972 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587824973 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587824974 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587825294 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587825295 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587825296 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587825297 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587825402 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587825403 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587825404 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587825405 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587825947 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587825948 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587825949 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587825950 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587826215 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587826216 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587826217 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3ccccc3o2)(C(O)O)N1 ZINC000587826218 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826271 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826272 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C(=O)O)[C@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826273 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C(=O)O)[C@@H]1C(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826274 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587826385 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587826387 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587826391 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587826393 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@H](C(=O)O)[C@@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826477 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C(=O)O)[C@@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826480 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@@H](C(=O)O)[C@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826484 HG Annotated Anodyne C[C@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826487 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587828015 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587828016 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587828017 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(=O)O)(c2ccccc2)N1 ZINC000587828018 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828100 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828103 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828105 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828107 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828372 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828373 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828374 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2C(=O)O)N1 ZINC000587828375 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587828411 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587828414 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587828417 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@]1(C(=O)O)[C@@H]2[C@H]3[C@@H]41 ZINC000587828421 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587829099 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587829100 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587829102 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C(=O)O)CC[C@H]2C1(C)C ZINC000587829103 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829238 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829239 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829240 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829241 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587829928 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587829930 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587829933 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C(=O)O)C1(C)C ZINC000587829937 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830455 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830456 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830457 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830458 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831810 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831816 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831819 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831821 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832221 HG Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832222 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832223 HG Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587832224 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832705 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832706 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832707 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832708 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587834866 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587834869 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587834871 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587834873 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587835184 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587835186 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587835187 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc3c(c2)OCCO3)N1 ZINC000587835189 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836463 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836464 HG Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCOC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836465 HG Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCOC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836466 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587836555 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587836556 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587836557 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587836558 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587837267 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587837268 HG Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587837269 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)Oc3cc(O)cc(O)c32)N1 ZINC000587837270 HG Annotated Clean Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](C=O)C(=O)O2 ZINC000587837934 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C=O)C(=O)O2 ZINC000587837943 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](C=O)C(=O)O2 ZINC000587837944 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C=O)C(=O)O2 ZINC000587837946 HG Annotated Mild CNS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838032 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838054 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838057 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838060 HG Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C=O)C(=O)O2 ZINC000587838199 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](C=O)C(=O)O2 ZINC000587838200 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](C=O)C(=O)O2 ZINC000587838201 HG Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C=O)C(=O)O2 ZINC000587838202 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587838385 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587838386 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587838387 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587838388 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838627 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838628 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838629 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587838630 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587838677 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587838678 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587838679 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587838680 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587839341 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587839347 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587839348 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587839350 HG Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839524 HG Annotated Anodyne CCCS(=O)(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839543 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840442 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840444 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840446 HG Annotated Anodyne CNS(=O)(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840447 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587840838 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587840839 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587840840 HG Annotated Anodyne CNS(=O)(=O)c1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587840841 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587841206 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587841207 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587841208 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(N)(=O)=O)c2)N1 ZINC000587841209 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587841830 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587841831 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587841833 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNS(=O)(=O)C2CC2)N1 ZINC000587841835 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587842253 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587842254 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587842256 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(N)(=O)=O)cc2)N1 ZINC000587842258 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587842462 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587842463 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587842464 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587842465 HG Annotated Anodyne COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845430 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845433 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845436 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845438 HG Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587846423 HG Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587846431 HG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587846433 HG Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587846435 HG Annotated Mild Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1S(C)(=O)=O ZINC000587846947 HG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1S(C)(=O)=O ZINC000587846948 HG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc1S(C)(=O)=O ZINC000587846949 HG Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cnc1S(C)(=O)=O ZINC000587846950 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587847041 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587847043 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587847045 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)Oc3ccccc32)N1 ZINC000587847047 HG Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1S(C)(=O)=O ZINC000587847493 HG Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1S(C)(=O)=O ZINC000587847496 HG Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc1S(C)(=O)=O ZINC000587847500 HG Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cnc1S(C)(=O)=O ZINC000587847503 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587847738 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587847742 HG Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587847744 HG Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587847747 HG Annotated Anodyne COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848838 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848840 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848841 HG Annotated Clean COP(=O)(OC)C(=[N+]=[N-])[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848843 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587849125 HG Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587849128 HG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587849131 HG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(C)(=O)=O)c(C#N)c2)N1 ZINC000587849134 HG Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587850317 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587850318 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587850320 HG Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(C)(=O)=O)(c2ccccc2)N1 ZINC000587850323 HG Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 ZINC000587851939 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(S(C)(=O)=O)ccc2O)N1 ZINC000587851940 HG Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 ZINC000587851941 HG Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(S(C)(=O)=O)ccc2O)N1 ZINC000587851942 HG Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000587858726 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc(O)nc(O)n1 ZINC000587858901 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]cnc1C(=O)NC ZINC000587859725 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000587859966 HG Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)cc1C(=O)O ZINC000587860163 HG Annotated Anodyne CCN=c1nc(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)[nH]c(=NCC)[nH]1 ZINC000587860460 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000587861133 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000587861134 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587861568 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000587861815 HG Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000587861818 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNC(=O)c1cccnc1 ZINC000587862353 HG Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cn1 ZINC000587862537 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(Cn2cccn2)n1 ZINC000587862574 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000587862610 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000587862687 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc([N+](=O)[O-])cc1C ZINC000587862742 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(C)c(C)c1[N+](=O)[O-] ZINC000587862975 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(-n2cnnn2)c1 ZINC000587863041 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1ccc([N+](=O)[O-])n1 ZINC000587863066 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(NN)c2ccccc12 ZINC000587863069 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(N)nc(-c2ccccn2)n1 ZINC000587863101 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000587863226 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000587863262 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC000587863278 HG Annotated Anodyne CCn1cc([N+](=O)[O-])c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 ZINC000587863314 HG Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000587863708 HG Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)NC2=N1 ZINC000587864357 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1CCc2nnc(C)n2C1 ZINC000587864358 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC000587864359 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000587864690 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000587864691 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cc(O)nc(O)n1 ZINC000587864724 HG Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cc(O)nc(S)n1 ZINC000587864948 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000587865753 HG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000587865762 HG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000587865953 HG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000587865963 HG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CN2CCC[C@H]2CO1 ZINC000587866008 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CN2CCC[C@@H]2CO1 ZINC000587866009 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CN2CCC[C@H]2CO1 ZINC000587866010 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000587866011 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCc2nncn2C1 ZINC000587866091 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCc2nncn2C1 ZINC000587866092 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 ZINC000587866148 HG Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(O)c2cnn(C)c2n1 ZINC000587866248 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000587866326 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000587866329 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1CCN(C)CC1 ZINC000587866763 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(C(=O)OC)cn1 ZINC000587866765 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCN1C(=O)C=CC1=O ZINC000587867130 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000587867149 HG Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCS(=O)(=O)C1 ZINC000587867150 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nnc(O)c2ccccc12 ZINC000587867344 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]cc1Br ZINC000587867433 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNC(=O)OC(C)(C)C ZINC000587867557 HG Annotated Anodyne COc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc(OC)c1O ZINC000587867575 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(=O)Nc1ccc(F)cc1 ZINC000587867617 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)OCCO2 ZINC000587867701 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC000587867741 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000587867779 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc([N+](=O)[O-])cc1C ZINC000587867797 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2cn(C)nc2C)n1 ZINC000587867831 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cn2cc(F)ccc2n1 ZINC000587867840 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(N)cc([N+](=O)[O-])c1 ZINC000587867849 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1ncc([N+](=O)[O-])c1C ZINC000587867880 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1COc2ccccc2O1 ZINC000587868091 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1COc2ccccc2O1 ZINC000587868093 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000587868097 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncc(NC(C)=O)c1 ZINC000587868179 HG Annotated Anodyne CCOC(=O)c1cnc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc1C ZINC000587868203 HG Annotated Anodyne COc1ccc(NC(=O)C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 ZINC000587868265 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN(C)C(=O)OC(C)(C)C ZINC000587868268 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587868388 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000587868389 HG Annotated Bother CC[C@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc([N+](=O)[O-])cn1 ZINC000587868465 HG Annotated Bother CC[C@@H](C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC)n1cc([N+](=O)[O-])cn1 ZINC000587868466 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587868484 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1nc([N+](=O)[O-])cc1C ZINC000587868485 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000587868499 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cc([N+](=O)[O-])c(C)n1 ZINC000587868642 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000587868650 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587868663 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccn(C)n2)n1 ZINC000587868705 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C(F)(F)F)nn1C ZINC000587868773 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc([N+](=O)[O-])c1O ZINC000587868787 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587868985 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1 ZINC000587868986 HG Annotated Bother C=CCn1ncc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c(Cl)c1=O ZINC000587869047 HG Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCc1ccccn1 ZINC000587869144 HG Annotated Anodyne CCc1nnc2n1C[C@H](C(=O)n1nc(-c3ccc(C(F)(F)F)nc3)cc1OC)CC2 ZINC000587869160 HG Annotated Anodyne CCc1nnc2n1C[C@@H](C(=O)n1nc(-c3ccc(C(F)(F)F)nc3)cc1OC)CC2 ZINC000587869162 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC000587869190 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCN1CCCCC1 ZINC000587869244 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNC(=O)c1cccs1 ZINC000587869365 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]nc([N+](=O)[O-])c1Br ZINC000587869473 HG Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1C[C@H](C)O[C@H](C)C1 ZINC000587869532 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000587869534 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000587869536 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2cnn(C)c2C)n1 ZINC000587869558 HG Annotated Anodyne CCCCn1c(O)nc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1=O ZINC000587869562 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnc2n[nH]c(C)c2c1 ZINC000587869587 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cc[nH]c2)[nH]n1 ZINC000587869758 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2n(C)c1=O ZINC000587869857 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccccc2c(=O)n1C ZINC000587869876 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc[nH]2)[nH]n1 ZINC000587869896 HG Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cc(=O)n(CC(C)C)[nH]1 ZINC000587870037 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587871112 HG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Cn1nc([N+](=O)[O-])cc1C ZINC000587871113 HG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2cc(Cl)cn2)n1 ZINC000587871305 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O ZINC000587871420 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587871601 HG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc([N+](=O)[O-])c(OC)n1 ZINC000587871605 HG Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(N2C(=O)C=CC2=O)cc1 ZINC000587871685 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1S(=O)(=O)N1CCCC1 ZINC000587871702 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(N2CCOCC2)n1 ZINC000587872224 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1c(O)nc2ccccc2c1=O ZINC000587872272 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000587872353 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 ZINC000587872369 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 ZINC000587872666 HG Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000587872700 HG Annotated Anodyne O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874701 HG Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1 ZINC000587874788 HG Annotated Anodyne CCOC(=O)c1nn(C(=O)COc2ccc(Cl)c(Cl)c2)c(OCC)c1C#N ZINC000587874849 HG Annotated Mild CN(C)S(=O)(=O)c1ccc2oc(-n3nc4cc3oc3ccc(F)cc43)nc2c1 ZINC000587875164 HG Annotated Anodyne CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c(OCC)c1C#N ZINC000587875492 HG Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(OCC)c1C#N ZINC000587875493 HG Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c(OCC)c1C#N ZINC000587875592 HG Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Oc2cc(C)ccc2Cl)c(OCC)c1C#N ZINC000587875607 HG Annotated Mild O=C(c1cc(N2CCOCC2)ccc1[N+](=O)[O-])n1nc2cc1oc1ccc(F)cc21 ZINC000587875648 HG Annotated Bother CC(C)(C)OC(=O)N1CCN(CC(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587875749 HG Annotated Anodyne Cc1nn(Cn2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)n2)c(C)c1[N+](=O)[O-] ZINC000587876012 HG Annotated Bother O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876104 HG Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876165 HG Annotated Anodyne O=S(=O)(c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1)N1CCCCC1 ZINC000587876204 HG Annotated Anodyne COC(=O)c1c(N)ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587876279 HG Annotated Mild Cc1ccc(S(=O)(=O)N(C)CC(=O)n2nc3cc2oc2ccc(F)cc32)cc1 ZINC000587876541 HG Annotated Anodyne COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1N ZINC000587876543 HG Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(N)=O)c1C ZINC000587876563 HG Annotated Mild O=C(c1ccccc1)N1CCN(CC(=O)n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587876639 HG Annotated Anodyne COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c(O)c1OC ZINC000587876782 HG Annotated Mild O=C1N[C@@H]2[C@H](CCCCC(=O)n3nc4cc3oc3ccc(F)cc43)SC[C@@H]2N1 ZINC000587876965 HG Annotated Anodyne COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc(N)c1C ZINC000587877057 HG Annotated Mild COCCn1c(-n2nc3cc2oc2ccc(F)cc32)nc(=O)c2c(C)cc(C)nc21 ZINC000587877092 HG Annotated Anodyne O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 ZINC000587877249 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c(OC)c1 ZINC000587877254 HG Annotated Mild O=Cc1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587877277 HG Annotated Mild O=C(O)Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000587877295 HG Annotated Mild COc1cc(CO)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OC ZINC000587877314 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c(OC)c1 ZINC000587877318 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587877325 HG Annotated Mild COc1c(O)cc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877336 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)O)c1[N+](=O)[O-] ZINC000587877369 HG Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000587877384 HG Annotated Mild COc1ccc(C(C)=O)c(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877498 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c(C(=O)O)c1 ZINC000587877502 HG Annotated Mild O=CNc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000587877591 HG Annotated Mild N#Cc1cc([N+](=O)[O-])cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587877710 HG Annotated Mild COC(=O)c1cc(N)c(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877758 HG Annotated Mild COC(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C#N ZINC000587877778 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([N+](=O)[O-])c1CCO ZINC000587877863 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)O)c1C(=O)O ZINC000587877875 HG Annotated Mild COc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877882 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c([N+](=O)[O-])c1 ZINC000587877898 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cc(C(=O)O)c1O ZINC000587877919 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)c(C=O)c1 ZINC000587877960 HG Annotated Mild COC(=O)c1cc(C)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877973 HG Annotated Mild N#Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587878008 HG Annotated Mild COc1cc([N+](=O)[O-])c(N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878028 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([N+](=O)[O-])c1C(=O)O ZINC000587878032 HG Annotated Mild COC(=O)c1cc(C#N)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878051 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1O ZINC000587878114 HG Annotated Mild CCOC(=O)c1cc(N)c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878134 HG Annotated Mild COc1cc(OC)c(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878238 HG Annotated Mild COC(=O)c1cc(OC)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878395 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)ccc1[N+](=O)[O-] ZINC000587878422 HG Annotated Mild COc1cc(C(=O)N(C)C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878425 HG Annotated Mild CCOC(=O)c1ccc(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878445 HG Annotated Mild COc1ccc([N+](=O)[O-])c(C#N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878449 HG Annotated Mild CCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587878452 HG Annotated Mild CCOC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587878471 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)cc1[N+](=O)[O-] ZINC000587878520 HG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C#N)c1 ZINC000587878589 HG Annotated Mild CN(C)c1ccc(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878634 HG Annotated Mild COC(=O)c1ccc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878685 HG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000587878742 HG Annotated Mild CNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000587878848 HG Annotated Mild CC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)c1 ZINC000587878854 HG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000587878868 HG Annotated Mild CC(=O)Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)c1 ZINC000587878880 HG Annotated Mild CNC(=O)Cc1cc(OC)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878965 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])cc1C(=O)O ZINC000587878974 HG Annotated Mild N#C[C@@H](CO)Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879114 HG Annotated Mild N#C[C@H](CO)Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879115 HG Annotated Mild COCC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879346 HG Annotated Mild COC(=O)CC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879348 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1C(=O)O)OCO2 ZINC000587879480 HG Annotated Mild O=NCC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879595 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@@H]1CNCCO1 ZINC000587879630 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1[C@H]1CNCCO1 ZINC000587879631 HG Annotated Mild NCc1nc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)no1 ZINC000587879656 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC000587879686 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1C(=O)O ZINC000587879769 HG Annotated Mild O=C(O)Cc1ccc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879938 HG Annotated Mild COC(=O)[C@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879971 HG Annotated Mild COC(=O)[C@@H](C#N)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879972 HG Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(N)=O ZINC000587880013 HG Annotated Mild CCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)NC ZINC000587880053 HG Annotated Mild COC(=O)c1nc2[nH]ccc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880246 HG Annotated Mild COC(=O)c1ccc(OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880260 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)cccc1[N+](=O)[O-] ZINC000587880300 HG Annotated Mild CCCCOc1n[nH]c(C(=O)O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880374 HG Annotated Mild CN(C)[C@@H](CN)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880397 HG Annotated Mild CN(C)[C@H](CN)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880398 HG Annotated Mild COC(=O)c1cccc([N+](=O)[O-])c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880415 HG Annotated Mild COC(=O)C(=O)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880416 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2cc[nH]c2nc1C(=O)O ZINC000587880447 HG Annotated Mild CCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC ZINC000587880478 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N)c1OC ZINC000587880487 HG Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1O ZINC000587880499 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1 ZINC000587880520 HG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C=O ZINC000587880525 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1O ZINC000587880595 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)N(C)C ZINC000587880674 HG Annotated Mild Nc1[nH]nc2nc(C3CC3)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587880692 HG Annotated Mild O=C(O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587880767 HG Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(=O)O ZINC000587880778 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587880839 HG Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587880840 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(C2CC2)nc1C(=O)O ZINC000587880928 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([N+](=O)[O-])c(C(=O)O)c1 ZINC000587880944 HG Annotated Mild Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000587880974 HG Annotated Mild COc1ncc(C(=O)O)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881012 HG Annotated Mild CCOc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC)n1 ZINC000587881015 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NCCO)c([N+](=O)[O-])c1 ZINC000587881056 HG Annotated Mild COCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587881118 HG Annotated Mild Nc1nc(Cl)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881156 HG Annotated Mild CCCNc1nc(Cl)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881178 HG Annotated Mild CNCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881200 HG Annotated Mild Cc1c(C(=O)O)cnc(N(C)C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881208 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[C@@H](N)CC(=O)O ZINC000587881231 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[C@H](N)CC(=O)O ZINC000587881234 HG Annotated Mild O=C(O)Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881270 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000587881285 HG Annotated Mild COC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587881311 HG Annotated Mild COC(=O)c1nc(C2CC2)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881322 HG Annotated Mild N#CCc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587881419 HG Annotated Mild C#CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CO ZINC000587881442 HG Annotated Mild O=Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OCCCO ZINC000587881448 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)O)c([N+](=O)[O-])c1 ZINC000587881453 HG Annotated Mild CN(C)c1ncc([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881602 HG Annotated Mild CC(=O)Nc1nc(Cl)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881665 HG Annotated Mild Nc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587881766 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(OCC2OCCO2)c1 ZINC000587881837 HG Annotated Mild NCc1nnc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)o1 ZINC000587881844 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2(C(=O)O)COC2)c1 ZINC000587881849 HG Annotated Mild N[C@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881904 HG Annotated Mild N[C@@H](CC(=O)O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881905 HG Annotated Mild Nc1nonc1-c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881917 HG Annotated Mild NC(=O)C1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587881953 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000587882000 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CNC2COC2)c1 ZINC000587882187 HG Annotated Mild N#Cc1cnn(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c1N ZINC000587882246 HG Annotated Mild O=CC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)COC1 ZINC000587882264 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@@H]2CNCCO2)c1 ZINC000587882335 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc([C@H]2CNCCO2)c1 ZINC000587882336 HG Annotated Mild O=C1CCN(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587882358 HG Annotated Mild COCC(=O)Nc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882400 HG Annotated Mild COC(=O)[C@H](C#N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882506 HG Annotated Mild COC(=O)[C@@H](C#N)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882507 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC ZINC000587882529 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C=O)c1 ZINC000587882551 HG Annotated Mild CN(C)[C@@H](CN)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882585 HG Annotated Mild CN(C)[C@H](CN)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882586 HG Annotated Mild COC(=O)c1cc(C#N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882691 HG Annotated Mild CON(C)C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882708 HG Annotated Mild CC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)O)c1 ZINC000587882717 HG Annotated Mild N#C[C@@H](CO)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882743 HG Annotated Mild N#C[C@H](CO)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882744 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(OC)c1 ZINC000587882786 HG Annotated Mild COC(=O)C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882921 HG Annotated Mild CC(C)(C(N)=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882936 HG Annotated Mild CCNC(=O)c1cc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883055 HG Annotated Mild NC(=O)[C@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883063 HG Annotated Reactive NC(=O)[C@@H](Cl)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883064 HG Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc([N+](=O)[O-])c1 ZINC000587883106 HG Annotated Mild CCCNC(=O)c1cc(N)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883121 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587883127 HG Annotated Mild COC(=O)[C@@](C)(O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883143 HG Annotated Mild COC(=O)[C@](C)(O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587883144 HG Annotated Mild Nc1nonc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883300 HG Annotated Mild N[C@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883357 HG Annotated Mild N[C@@H](CC(=O)O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883358 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H]2CNCCO2)cc1 ZINC000587883426 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H]2CNCCO2)cc1 ZINC000587883427 HG Annotated Mild Nc1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1 ZINC000587883612 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(CO)o2)cc1 ZINC000587883701 HG Annotated Mild N#C[C@@H](CO)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883843 HG Annotated Mild N#C[C@H](CO)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883844 HG Annotated Mild CN(C)[C@@H](CN)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883848 HG Annotated Mild CN(C)[C@H](CN)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883849 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CNC2COC2)cc1 ZINC000587883883 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C[C@H](C(=O)O)O2 ZINC000587884033 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C[C@@H](C(=O)O)O2 ZINC000587884034 HG Annotated Mild CCN1C(=O)C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884070 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H](C(=O)O)CO2 ZINC000587884136 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@H](C(=O)O)CO2 ZINC000587884140 HG Annotated Mild CCN1C(=O)C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884148 HG Annotated Mild CN1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[C@@H]1C#N ZINC000587884213 HG Annotated Mild CN1C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[C@H]1C#N ZINC000587884214 HG Annotated Mild CN1C(=O)COc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884305 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc(O[C@H]2CCOC2)c1 ZINC000587884313 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc(O[C@@H]2CCOC2)c1 ZINC000587884315 HG Annotated Mild Nc1ccn(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 ZINC000587884339 HG Annotated Mild CN(CC(=O)O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884349 HG Annotated Mild COC(=O)[C@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884403 HG Annotated Mild COC(=O)[C@@H](C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884404 HG Annotated Mild C[C@H]1Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2NC1=O ZINC000587884485 HG Annotated Mild C[C@@H]1Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2NC1=O ZINC000587884486 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)CC(=O)O2 ZINC000587884509 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C[C@H](C(=O)O)CN2 ZINC000587884680 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C[C@@H](C(=O)O)CN2 ZINC000587884681 HG Annotated Mild NC[C@H]1COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587884836 HG Annotated Mild NC[C@@H]1COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C1 ZINC000587884838 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@@H](C(=O)O)O2 ZINC000587884985 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CC[C@H](C(=O)O)O2 ZINC000587884986 HG Annotated Mild COC(=O)C[C@H](N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885071 HG Annotated Mild COC(=O)C[C@@H](N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885072 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC000587885183 HG Annotated Mild COC(=O)c1cc2c[nH]nc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587885265 HG Annotated Mild CN(C)C(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885272 HG Annotated Mild CON(C)C(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885349 HG Annotated Mild CCNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000587885408 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c2c[nH]nc2c1 ZINC000587885410 HG Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000587885468 HG Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cl)c1[N+](=O)[O-] ZINC000587885559 HG Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C\C(=O)O ZINC000587885582 HG Annotated Mild COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C/C(=O)O ZINC000587885583 HG Annotated Mild CCOC(=O)[C@@H](CC)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885585 HG Annotated Mild CCOC(=O)[C@H](CC)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885586 HG Annotated Mild CC(=O)N1CCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(N)c21 ZINC000587885717 HG Annotated Mild Cc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)C(=O)N2 ZINC000587885762 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])CCNC2 ZINC000587885784 HG Annotated Mild CCOc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)O ZINC000587885799 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000587885825 HG Annotated Mild CCOC(=O)[C@@H](C)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885877 HG Annotated Mild CCOC(=O)[C@H](C)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587885878 HG Annotated Mild Cc1cc(=O)n(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]1 ZINC000587885887 HG Annotated Mild CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1NC(=O)C2=O ZINC000587885995 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000587886022 HG Annotated Mild CC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2nc(N)oc12 ZINC000587886094 HG Annotated Mild CCn1c(N)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886129 HG Annotated Mild COC(=O)c1cc2n[nH]cc2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587886186 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCO2 ZINC000587886459 HG Annotated Mild Cc1cc2c(cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)NC(=O)C2=O ZINC000587886509 HG Annotated Mild CCn1c(N)nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587886511 HG Annotated Mild Nc1cc(O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587886533 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1O)NC(=O)CC2 ZINC000587886570 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c2n[nH]cc2c1 ZINC000587886602 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncnc(C(=O)O)c2c1 ZINC000587886676 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2c1OCC(=O)N2 ZINC000587886685 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(C(=O)O)c1)OCC2 ZINC000587886771 HG Annotated Mild Cn1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c2n1 ZINC000587886871 HG Annotated Mild NC(=O)c1cnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1 ZINC000587886944 HG Annotated Mild N#Cc1c[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2c1=O ZINC000587886945 HG Annotated Mild COC(CNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1)OC ZINC000587887136 HG Annotated Mild CN(C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887249 HG Annotated Mild COCCN(C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887289 HG Annotated Mild CC(C)(CO)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887312 HG Annotated Mild CCOCCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887336 HG Annotated Mild CN(C)CCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887338 HG Annotated Mild CN(C)CCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887365 HG Annotated Mild Cc1noc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)n1 ZINC000587887445 HG Annotated Mild CCCNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887591 HG Annotated Mild CC(C)OC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587887597 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C(OC)OC ZINC000587887644 HG Annotated Mild CCOC(=O)Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887689 HG Annotated Mild COCCCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887690 HG Annotated Mild C[C@@H]1CC(=O)Nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2N1 ZINC000587887798 HG Annotated Mild C[C@H]1CC(=O)Nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2N1 ZINC000587887800 HG Annotated Mild C[C@@H](O)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2[nH]1 ZINC000587887805 HG Annotated Mild C[C@H](O)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2[nH]1 ZINC000587887809 HG Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCCO2 ZINC000587887866 HG Annotated Mild COC[C@](C)(O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587887934 HG Annotated Mild COC[C@@](C)(O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587887937 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc2c1OCCO2 ZINC000587887946 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c([N+](=O)[O-])ccc2n[nH]cc12 ZINC000587888020 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)nc2c1NCCC2 ZINC000587888037 HG Annotated Mild COC(=O)c1c[nH]c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587888076 HG Annotated Mild C[C@@H]1Cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2C(=O)N1 ZINC000587888081 HG Annotated Mild C[C@H]1Cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2C(=O)N1 ZINC000587888086 HG Annotated Mild CC(C)(O)c1nc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2[nH]1 ZINC000587888244 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc(NCc2ncc[nH]2)c1 ZINC000587888266 HG Annotated Mild C[C@H]1Oc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2NC1=O ZINC000587888308 HG Annotated Mild C[C@@H]1Oc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2NC1=O ZINC000587888309 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)C(=O)C(=O)N2 ZINC000587888337 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cncc2ccc(C(=O)O)nc12 ZINC000587888381 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ncc(C(=O)O)cc2c1 ZINC000587888383 HG Annotated Mild COC(=O)c1cc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000587888391 HG Annotated Mild Cc1nc(O)c2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1 ZINC000587888399 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(O)nc(O)c2c1 ZINC000587888404 HG Annotated Mild N#Cc1c[nH]c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2c1=O ZINC000587888506 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c([N+](=O)[O-])c[nH]c2c1 ZINC000587888514 HG Annotated Mild COC(=O)c1c[nH]c2cncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888525 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cc([N+](=O)[O-])c2c1 ZINC000587888530 HG Annotated Mild COC(=O)c1cnc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1 ZINC000587888534 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cc(C(=O)O)c2c1 ZINC000587888547 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccnc2[nH]cc(C(=O)O)c12 ZINC000587888706 HG Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1NC(=O)C2=O ZINC000587888708 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2[nH]cnc2c1 ZINC000587888766 HG Annotated Mild COC(=O)c1ccnc2[nH]cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888771 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C2(C(=O)O)CC2)ccn1 ZINC000587889088 HG Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ncc2cc(CO)oc12 ZINC000587889141 HG Annotated Mild CC(C)(C(=O)O)c1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587889172 HG Annotated Mild COC(=O)c1n[nH]c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587889226 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc2c1OCO2 ZINC000587889260 HG Annotated Mild COC(=O)c1ccc2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2c1 ZINC000587889303 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)NC(=O)CO2 ZINC000587889350 HG Annotated Mild N#CCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(c1)OCO2 ZINC000587889404 HG Annotated Mild COC(=O)c1cccn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc12 ZINC000587889542 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c[nH]c2nccc(C(=O)O)c12 ZINC000587889577 HG Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc2c1NCCC2 ZINC000587889630 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2[nH]cc(C(=O)O)c2cn1 ZINC000587889825 HG Annotated Mild CN(C)/C=C\C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890108 HG Annotated Mild CN(C)/C=C/C(=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890109 HG Annotated Mild CCOC(=O)c1ccc(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587890124 HG Annotated Mild CC1(c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2)OCCO1 ZINC000587890183 HG Annotated Mild COC(=O)c1ccc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n2c1 ZINC000587890317 HG Annotated Mild Cc1ccn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(C=O)nc2c1 ZINC000587890340 HG Annotated Mild Cc1cccc2nc(C=O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)n12 ZINC000587890373 HG Annotated Mild COC(=O)c1c[nH]c2nc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587890414 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1[nH]nc2ccc([N+](=O)[O-])cc12 ZINC000587890436 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1[nH]nc2c([N+](=O)[O-])cccc12 ZINC000587890510 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)[n+]1[O-] ZINC000587890516 HG Annotated Mild Nc1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)o2)ncn1 ZINC000587890519 HG Annotated Mild COc1ccn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2c1C#N ZINC000587890533 HG Annotated Mild Cc1ccn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(C(=O)O)nc2c1 ZINC000587890611 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2ccc([N+](=O)[O-])cn12 ZINC000587890612 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc(C(=O)O)n2c1 ZINC000587890615 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CC(=O)O/C1=C/Br ZINC000587890655 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=CC(=O)O/C1=C\Br ZINC000587890656 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2c(C=O)cnc12 ZINC000587890682 HG Annotated Mild Cc1cc2ncc(C=O)n2cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587890800 HG Annotated Mild COC(=O)c1cccn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc12 ZINC000587890820 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc([N+](=O)[O-])ccn12 ZINC000587890892 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2ccnc12 ZINC000587890897 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(C(=O)O)cn2c1 ZINC000587890907 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c([N+](=O)[O-])cccn12 ZINC000587890943 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2cc(C(=O)Cl)nn2c1 ZINC000587890948 HG Annotated Reactive CON(C)C(=O)[C@H]1CC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587890968 HG Annotated Mild CON(C)C(=O)[C@@H]1CC=C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587890969 HG Annotated Mild COC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587890975 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nccn2c1 ZINC000587891022 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccn2c(CCl)nnc2c1 ZINC000587891034 HG Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])cn2ccnc12 ZINC000587891047 HG Annotated Mild CCc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2c1N ZINC000587891071 HG Annotated Mild COC(=O)c1cn2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2n1 ZINC000587891110 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C1\OC(=O)C=C1Br ZINC000587891135 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccn2cc(C(=O)O)nc2c1 ZINC000587891147 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ncc([N+](=O)[O-])n2c1 ZINC000587891215 HG Annotated Mild COC(=O)c1cnn2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587891237 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccn2cc(C(=O)O)nc12 ZINC000587891246 HG Annotated Mild COC(=O)c1cn2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1 ZINC000587891262 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2cc(C(=O)O)nc12 ZINC000587891290 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)ncnc1C(F)(F)F ZINC000587891648 HG Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1OC(F)F ZINC000587892468 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(N)c1F ZINC000587893049 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(NCC(F)(F)F)nc1 ZINC000587893217 HG Annotated Mild Nc1c([N+](=O)[O-])cc(F)c(F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587893591 HG Annotated Mild C=C(NC(C)=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587893787 HG Annotated Mild NC(=O)/C=C/c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894147 HG Annotated Mild NC(=O)/C=C\c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894148 HG Annotated Mild NC(=S)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894368 HG Annotated Mild C[C@@](N)(C(=O)O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587894468 HG Annotated Mild C[C@](N)(C(=O)O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1F ZINC000587894469 HG Annotated Mild CON(C)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894785 HG Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C=O)s1 ZINC000587895093 HG Annotated Mild NC(=S)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1O ZINC000587895124 HG Annotated Mild CS(=O)(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895295 HG Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(N)=S)c1 ZINC000587895472 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(F)c2c(c1)NC(=O)CO2 ZINC000587896435 HG Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1S(C)(=O)=O ZINC000587896465 HG Annotated Mild CS(=O)(=O)Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896521 HG Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1S(C)(=O)=O ZINC000587896607 HG Annotated Mild CS(=O)(=O)c1cccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896930 HG Annotated Mild COC(=O)c1nc(SC)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896990 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1S)OCC(=O)N2 ZINC000587897040 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1CN1CCNCC1 ZINC000587897077 HG Annotated Mild CN(C)C(=S)Oc1cncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587897204 HG Annotated Mild CSc1nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn2ccnc12 ZINC000587897209 HG Annotated Mild CSc1nnc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn12 ZINC000587897308 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CN2CCNCC2)s1 ZINC000587897433 HG Annotated Mild O=Cc1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c1OCCO2 ZINC000587897495 HG Annotated Mild CCOC(=O)Cc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897621 HG Annotated Mild CON(C)C(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000587897646 HG Annotated Mild Nc1nnc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)o1 ZINC000587897667 HG Annotated Mild Nc1nnc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cs2)o1 ZINC000587897687 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(CN2CCNCC2)c1 ZINC000587897694 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(N2CCC(O)CC2)n1 ZINC000587897792 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(C(=O)O)s1 ZINC000587897875 HG Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2cc(C(=O)O)nc2s1 ZINC000587898309 HG Annotated Mild Nc1sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[n+]1[O-] ZINC000587898750 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(N3C[C@@H](C(=O)O)CC3=O)n[nH]c2c1 ZINC000587907675 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(N3C[C@H](C(=O)O)CC3=O)n[nH]c2c1 ZINC000587907676 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NC=C2C(=O)OC(C)(C)OC2=O)nc1 ZINC000587908482 HG Annotated Mild COC(=O)c1ccc(Cn2cc(C#Cc3cc(Cl)ccc3OC)c([N+](=O)[O-])n2)o1 ZINC000587908823 HG Annotated Mild CCn1cc(C#Cc2cc(Cl)ccc2OC)c(-c2ccnc3cc(C(=O)O)nn23)n1 ZINC000587909363 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CCN2C(=O)c3ccccc3C2=O)c1 ZINC000587909646 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(Cc2ccc(C(=O)O)o2)nc1[N+](=O)[O-] ZINC000587909685 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1OCC(=O)NC2=O ZINC000587909983 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2c(c1)C(=O)NC(=O)CO2 ZINC000587910298 HG Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587912064 HG Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587912065 HG Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587912066 HG Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(Br)C1=O ZINC000587912067 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cnc1NC[C@@H](N)N(C)C ZINC000587913800 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(F)(F)F)cnc1NC[C@H](N)N(C)C ZINC000587913801 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ncccc1OS(=O)(=O)OC(F)(F)F ZINC000587914699 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(CNCCN2CCN(C)CC2)c(F)c1 ZINC000587916822 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(I)cnn2c1 ZINC000587917112 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1nccn2c(I)cnc12 ZINC000587917481 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(C=O)cc(I)c1O ZINC000587917527 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]cc(I)c(=O)c1OC ZINC000587917636 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)cc(O)c1OC ZINC000587917685 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cn2c(I)cnc2cn1 ZINC000587917753 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(I)c(OC)n1 ZINC000587917988 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1S(N)(=O)=O ZINC000587918151 HG Annotated Mild CCNS(=O)(=O)c1ccc(-n2cc(C#Cc3cc(Cl)ccc3OC)cn2)cc1 ZINC000587918157 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1S(=O)(=O)Cl)OCC(=O)N2 ZINC000587918487 HG Annotated Unstable COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000587918916 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n(C[C@@H](C)O)c(=O)c2c1 ZINC000587919060 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(S)n(C[C@H](C)O)c(=O)c2c1 ZINC000587919061 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)c(C)nn2[C@H]1CCS(=O)(=O)C1 ZINC000587919271 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)c(C)nn2[C@@H]1CCS(=O)(=O)C1 ZINC000587919272 HG Annotated Mild COCCn1c(S)nc2ccc(C#Cc3cc(Cl)ccc3OC)cc2c1=O ZINC000587919300 HG Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(SC)n(CC(=O)OC(C)(C)C)c1=O ZINC000587919768 HG Annotated Mild CCN(c1ccc(-c2csc(-c3cccc(C(N)=O)c3)n2)cc1)S(C)(=O)=O ZINC000587923489 HG Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(C(N)=O)cc3)n2)cc1)S(C)(=O)=O ZINC000587923652 HG Annotated Anodyne CN(c1ccc(-c2csc(CCNC(=O)OC(C)(C)C)n2)cc1)S(C)(=O)=O ZINC000587923702 HG Annotated Anodyne COc1ccccc1NC(=O)Cc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 ZINC000587923748 HG Annotated Anodyne CN(c1ccc(-c2csc(-c3cc([N+](=O)[O-])ccc3N)n2)cc1)S(C)(=O)=O ZINC000587923799 HG Annotated Bother CS(=O)(=O)Nc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1 ZINC000587923920 HG Annotated Anodyne CN(c1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1)S(C)(=O)=O ZINC000587924016 HG Annotated Anodyne COc1cc(N)c(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1OC ZINC000587924020 HG Annotated Anodyne COc1cc(N)c(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1OC ZINC000587924396 HG Annotated Anodyne COc1ccc(CCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000587925220 HG Annotated Anodyne COc1ccc(OC)c(-c2nc3cc(I)cnc3[nH]2)c1OC ZINC000587925482 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2c1 ZINC000587925734 HG Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587925793 HG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000587926608 HG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000587926630 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(OC)ccc(OC)c3OC)[nH]c2c1 ZINC000587926635 HG Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587927062 HG Annotated Anodyne COc1ccc(C[C@H](C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587927064 HG Annotated Anodyne COc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000587927286 HG Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587927355 HG Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587927357 HG Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC ZINC000587927832 HG Annotated Anodyne COc1ccc(OC)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1OC ZINC000587928073 HG Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587928106 HG Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587928109 HG Annotated Anodyne COc1ccc(CCCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(OC)c1 ZINC000587928813 HG Annotated Anodyne COc1ccc(CCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(OC)c1 ZINC000587929664 HG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934104 HG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934105 HG Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934106 HG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000587934107 HG Annotated Anodyne Cn1cc(-c2cccc(Br)c2-n2c(O)cc(CCC(=O)O)c2O)cn1 ZINC000587934539 HG Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587935596 HG Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(CCC(=O)O)c2O)c(Cl)cc1Br ZINC000587935708 HG Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(CC(=O)O)c1O ZINC000587936019 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 ZINC000587936373 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c2c1 ZINC000587936378 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 ZINC000587936380 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c2c1 ZINC000587936383 HG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1c(N)cccc1Br ZINC000587936673 HG Annotated Bother C=C(C)C(=O)OCCOc1ccc(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587936987 HG Annotated Mild COC(=O)c1cc(OC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC ZINC000587936992 HG Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1cccc(Br)c1N ZINC000587936999 HG Annotated Bother C=C(C(=O)O)c1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937105 HG Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)c(Br)c1 ZINC000587937485 HG Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937866 HG Annotated Mild COc1ccc([C@H](O)[C@H](C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938013 HG Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938015 HG Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938016 HG Annotated Anodyne COc1ccc([C@H](O)[C@@H](C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587938018 HG Annotated Anodyne COc1cc(C(C)=O)c(OC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587938082 HG Annotated Anodyne CCOc1cc(C(C)=O)c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587938921 HG Annotated Anodyne COC(=O)c1cc(OC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587938983 HG Annotated Anodyne COC(=O)c1cc(OC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OC ZINC000587938984 HG Annotated Anodyne Oc1cc(-c2ccccc2F)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939007 HG Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1c[nH]cc(Br)c1=O ZINC000587939158 HG Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)cc1 ZINC000587939241 HG Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587939359 HG Annotated Mild C=CCOc1ccc(OCC=C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939774 HG Annotated Mild O=C(O)c1cc(-n2c(O)cc(-c3ccc([N+](=O)[O-])cc3)c2O)c(Br)cn1 ZINC000587939778 HG Annotated Bother COC(=O)c1cc(OC)n(-c2cc(Br)cnc2Br)c1OC ZINC000587939901 HG Annotated Anodyne COc1ccccc1-c1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940635 HG Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587940744 HG Annotated Bother CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c[nH]cc(Br)c1=O ZINC000587940746 HG Annotated Bother COc1cccc(-c2cc(O)n(-c3cc(C(=O)O)ncc3Br)c2O)c1 ZINC000587940869 HG Annotated Anodyne Oc1cc(-c2cccc(F)c2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941030 HG Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(C(=O)O)ncc1Br ZINC000587941045 HG Annotated Anodyne Oc1cc(-c2ccc(F)cc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941904 HG Annotated Anodyne Oc1cc(Cc2ccccc2)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941925 HG Annotated Anodyne C=C(C)C(=O)OCCOc1ccc(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587942414 HG Annotated Mild O=C(O)Cc1c(CC(=O)O)c(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942861 HG Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587943134 HG Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587943135 HG Annotated Anodyne CC(C)Oc1cc(-n2c(O)c(CC(=O)O)c(CC(=O)O)c2O)c(Cl)cc1Cl ZINC000587943257 HG Annotated Anodyne CC(C)Oc1cc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)c(Cl)cc1Cl ZINC000587943367 HG Annotated Anodyne O=C(O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943470 HG Annotated Anodyne COC(=O)c1cc(OC)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1OC ZINC000587943581 HG Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)cc(CCC(=O)O)c1O ZINC000587943859 HG Annotated Bother C=C(C(=O)O)c1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943863 HG Annotated Bother CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(CCC(=O)O)c2O)n1 ZINC000587944109 HG Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587944209 HG Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587944210 HG Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944627 HG Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944631 HG Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944634 HG Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944635 HG Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944791 HG Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944795 HG Annotated Anodyne COC(=O)c1cc(OC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OC ZINC000587945032 HG Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)C(=O)O ZINC000587945312 HG Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587945375 HG Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587945779 HG Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2nn(COc3ccccc3F)cc2Cl)c1OC ZINC000587946164 HG Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587946317 HG Annotated Anodyne N[C@@H](CCOc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)C(=O)O ZINC000587946460 HG Annotated Anodyne N[C@@H](CCOc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)C(=O)O ZINC000587946461 HG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]1)(C3)C2 ZINC000587949764 HG Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(N5CCN(C)CC5)cc4[nH]1)(C3)C2 ZINC000587950373 HG Annotated Anodyne CC#CCCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587956489 HG Annotated Mild CC#CCCCCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587957316 HG Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC3CC3)nc1-2 ZINC000587959492 HG Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c1 ZINC000587960944 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 ZINC000587962691 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 ZINC000587962915 HG Annotated Anodyne O=S(=O)(c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1)N1CCOCC1 ZINC000587965651 HG Annotated Anodyne O=C(c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587965692 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587969303 HG Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1 ZINC000587970116 HG Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970376 HG Annotated Anodyne CCCCCOc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br ZINC000587970381 HG Annotated Anodyne CCCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970382 HG Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970636 HG Annotated Anodyne CC(C)CCOc1cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c2cc1Br ZINC000587970637 HG Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c2cc1Br ZINC000587970638 HG Annotated Anodyne CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@H](C2CCOCC2)C1 ZINC000059049544 HG Annotated Anodyne CN(CC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 ZINC000059049547 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)c(F)c1 ZINC000059112631 HG Annotated Anodyne O=C(NC1CC1)c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1 ZINC000059114531 HG Annotated Anodyne COC(=O)[C@@]12C=C(OC(C)=O)[C@]3(OO1)[C@@]1(C)CCCC(C)(C)[C@@H]1CC[C@@]3(C)C2=O ZINC000059126993 HG Annotated Reactive C/C=C(/C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@]2(OCC)C[C@H]2CCC[C@H](C(=O)O)[C@]21C ZINC000059129327 HG Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OCC)C[C@H]2CCC[C@H](C(=O)O)[C@@]12C ZINC000059129495 HG Annotated Anodyne N#CC1(c2ccc(F)cc2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059260318 HG Annotated Mild N#CC1(c2ccccc2F)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059260323 HG Annotated Mild Cc1ccccc1C1(C#N)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059260493 HG Annotated Mild CCc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)c1 ZINC000059260959 HG Annotated Mild N#CC1(c2cccc(F)c2)CCN(Cc2cc(C(=O)O)c(=O)n3ccccc23)CC1 ZINC000059262302 HG Annotated Mild COC(=O)[C@]1(Cc2ccc3c(c2)CCC(C)(C)O3)OC(=O)C(O)=C1c1ccc(O)cc1 ZINC000059264897 HG Annotated Anodyne COc1ccc(-c2nc(CN(Cc3ccncc3)C[C@@H]3CCC(=O)N3)c(C)o2)c(F)c1 ZINC000059308304 HG Annotated Anodyne Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)CSc3ccccn3)C2)CC1 ZINC000059314127 HG Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)CSc3ccccn3)C2)CC1 ZINC000059314131 HG Annotated Anodyne COc1c(O)c2c(c(OC)c1OC)O[C@@H](/C=C/c1cc(O)cc(O)c1)[C@H](C)C2=O ZINC000059586869 HG Annotated Anodyne in-vitro biogenic COC(=O)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccccc1OC(=O)c1cccs1 ZINC000059722009 HG Annotated Anodyne CCN1CCN(C(=O)c2sc3ncnc(N4CCc5ccccc5C4)c3c2C)CC1 ZINC000059817315 HG Annotated Anodyne CCO[C@@]1(COCc2ccccc2)OC(=O)C[C@@H]1N1C(=O)OC[C@@H]1c1ccccc1 ZINC000006004253 HG Annotated Anodyne COC(=O)C(C)(C)[C@@H]1OC(=O)N(S(=O)(=O)c2c(C)cc(C)cc2C)[C@H]1C(C)C ZINC000006004405 HG Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1=S ZINC000006004566 HG Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)n([C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c1=S ZINC000006004569 HG Annotated Mild COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@H]2CC[C@@H]1NC2 ZINC000006004856 HG Annotated Anodyne COC(=O)[C@]1(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C[C@@H]2CC[C@H]1NC2 ZINC000006004859 HG Annotated Anodyne COc1cc2c3c(cc(Cl)nc3c1OC)[C@@](O)(CC(=O)c1ccccc1)C(=O)N2 ZINC000006010058 HG Annotated Anodyne COc1cc2c(cc1OC)-c1cc(OC)c(OC)c(OC)c1C[C@@H]1C(=O)OC[C@H]1C2 ZINC000006017814 HG Annotated Anodyne in-vitro biogenic CN(C)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)cc1 ZINC000006024791 HG Annotated Mild C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000006051969 HG Annotated Mild N/C(CC(=O)NC1CCCCC1)=N\OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000006053017 HG Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C\C(C)=C/[C@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000006068979 HG Annotated Anodyne COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000006069945 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3C=C(C=O)[C@]12O ZINC000006069950 HG Annotated Reactive O=C(CCN1CCCC[C@@H]1CCO)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006117146 HG Annotated Clean O=C(CCN1CCCC[C@H]1CCO)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000006117148 HG Annotated Clean O=C(NCc1ccccc1Cl)Nc1cscc1-c1nc(O)c(O)c(C(=O)O)n1 ZINC000006142727 HG Annotated Anodyne C=C1C(=O)C=C2CN(C(=O)c3ccccc3)[C@@](Cc3ccc(F)cc3)(C(=O)OC)[C@@H]12 ZINC000006145329 HG Annotated Mild O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3cccnc3)c1=O)=N2 ZINC000006189095 HG Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)n1c(s/c(=C\c3cccnc3)c1=O)=N2 ZINC000006189096 HG Annotated Mild CC(=O)Nc1ccc2cc3c(nc2n1)c1cccnc1n3S(=O)(=O)c1ccccc1 ZINC000006244648 HG Annotated Bother CCCc1c(C)nc2c(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cnn2c1O ZINC000006246285 HG Annotated Clean C#C/C=C(\c1ccc(OC)c(F)c1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006278171 HG Annotated Mild COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(/C)c3ccco3)c2)cc1 ZINC000006360972 HG Annotated Reactive CCN1c2ncc(COc3cc[n+]([O-])cc3)cc2C(=O)N(C)c2ccc(Cl)nc21 ZINC000006385134 HG Annotated Anodyne COCOc1ccc(C(=O)[C@H](C)c2ccc(OCOC)cc2OCOC)c(O)c1 ZINC000006443304 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCCC2)C[C@H]1C ZINC000006468439 HG Annotated Anodyne CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NC2CCCCC2)C[C@@H]1C ZINC000006469275 HG Annotated Anodyne COc1c(OC)c(O)c2c(=O)c(C)c(/C=C/c3cc(O)cc(O)c3)oc2c1OC ZINC000006483764 HG Annotated Anodyne COc1cc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)ccc1O ZINC000006483947 HG Annotated Anodyne COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccncc2)cc1OC ZINC000006483964 HG Annotated Anodyne CCOc1cc(/C=N/N2C(=O)NC3(CCCCC3)C2=O)cc(Br)c1O ZINC000006489278 HG Annotated Mild C#C/C=C(\c1ccc(N(C)C)cc1)c1ccc2nc(N)n(S(=O)(=O)C(C)C)c2c1 ZINC000006489910 HG Annotated Mild C[C@@H](SC(=S)N1CCOCC1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006491487 HG Annotated Anodyne CCCCCC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccco3)CC2=O)CC1 ZINC000006493107 HG Annotated Mild C[C@@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000060027308 HG Annotated Reactive in-vitro C[C@H]1CCCC[C@@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000060027309 HG Annotated Reactive C[C@@H]1CCCC[C@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000060027310 HG Annotated Reactive C[C@H]1CCCC[C@H]1[C@H](O)/C=C/[C@@H]1[C@H](O)C[C@H](Cl)[C@@H]1C/C=C/COCC(=O)O ZINC000060027311 HG Annotated Reactive COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000060273668 HG Annotated Anodyne CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCCc3ccccn3)cn12 ZINC000061895574 HG Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(C(=O)c3ccccn3)C2)on1 ZINC000061896600 HG Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)on1 ZINC000061896603 HG Annotated Anodyne C[C@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061896912 HG Annotated Anodyne C[C@@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061896914 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@H](C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061897029 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@H](C(=O)Nc2ccc4c(c2)OCO4)O3)cc1 ZINC000061897032 HG Annotated Anodyne CC(=O)Nc1ccc(CN2C(=O)C(C)(C)ON=C2c2ccc(NC(C)=O)cc2)cc1 ZINC000061897487 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(C)CCC(C)C ZINC000061898367 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(CC)CCOC ZINC000061898452 HG Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)on1 ZINC000061898507 HG Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2cc(C(C)(C)C)nn2C)on1 ZINC000061898509 HG Annotated Anodyne CCCNC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061902306 HG Annotated Anodyne CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061902307 HG Annotated Anodyne COc1cccc(CN2CC[C@@]2(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1F ZINC000061902643 HG Annotated Anodyne COc1cccc(CN2CC[C@]2(C)C(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1F ZINC000061902645 HG Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)CCc2ccccc2)on1 ZINC000061902678 HG Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)CCc2ccccc2)on1 ZINC000061902679 HG Annotated Anodyne COc1ccc(NC(=O)[C@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cn1 ZINC000061902684 HG Annotated Anodyne COc1ccc(NC(=O)[C@@H]2Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cn1 ZINC000061902685 HG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CC2CCCC2)cc1 ZINC000061902961 HG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CC2CCCC2)cc1 ZINC000061902962 HG Annotated Anodyne COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cn1 ZINC000061903095 HG Annotated Anodyne COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cn1 ZINC000061903096 HG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCOC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 ZINC000061903434 HG Annotated Anodyne Cc1ccc(F)cc1C(=O)N1CCOC[C@H]1c1cc(C(=O)NCc2ccccc2)no1 ZINC000061903435 HG Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cn1 ZINC000061903734 HG Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(NC(C)=O)cc4)ccnc3O2)cn1 ZINC000061903735 HG Annotated Anodyne Cc1c(C(=O)NCc2ccc3c(c2)OCCO3)sc(=O)n1Cc1ccccc1F ZINC000061904164 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CC)CCOC ZINC000061904171 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccncc2)O3)cc1 ZINC000061904209 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccncc2)O3)cc1 ZINC000061904210 HG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2CCCCC2)cc1 ZINC000061904411 HG Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2CCCCC2)cc1 ZINC000061904412 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCC(F)(F)F)O3)cc1 ZINC000061904626 HG Annotated Anodyne CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCCC(F)(F)F)O3)cc1 ZINC000061904627 HG Annotated Anodyne CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061904654 HG Annotated Anodyne CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1 ZINC000061904655 HG Annotated Anodyne O=C(NCc1ccccc1Cl)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061904897 HG Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Cc3c(-c4ccccc4)ccnc3O2)c1 ZINC000061905059 HG Annotated Anodyne CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Cc3c(-c4ccccc4)ccnc3O2)c1 ZINC000061905060 HG Annotated Anodyne O=C(Nc1cccn2nc(COCCO)nc12)C(c1ccccc1)c1ccccc1 ZINC000061905408 HG Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cn1 ZINC000061905576 HG Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cn1 ZINC000061905577 HG Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cn1 ZINC000061905622 HG Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4cccc(NC(C)=O)c4)ccnc3O2)cn1 ZINC000061905623 HG Annotated Anodyne CCOC(=O)C(=O)N(C)c1c(CC)nc2c(OCc3ccc(OC)cc3)cccn12 ZINC000061905886 HG Annotated Anodyne N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2cc(NCCCO)ncn2)n1 ZINC000061906331 HG Annotated Anodyne N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2cc(NCCCO)ncn2)n1 ZINC000061906332 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN(C)C)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061906333 HG Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCCC(F)(F)F)O3)c1 ZINC000061906435 HG Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCCC(F)(F)F)O3)c1 ZINC000061906436 HG Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@H](Cc3ccccc3)ON=C2c2ncccc2C)o1 ZINC000061906719 HG Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@H](Cc3ccccc3)ON=C2c2ncccc2C)o1 ZINC000061906720 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061906882 HG Annotated Anodyne COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)cn1 ZINC000061907137 HG Annotated Anodyne CN(C)CCCNc1nc2cc(-c3cnn(Cc4ccccc4)c3)sc2c(=O)n1C ZINC000061907513 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(CC)CCN(C)C ZINC000061908059 HG Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@@H](C(=O)NCc2cccc(Cl)c2)O3)c1 ZINC000061908138 HG Annotated Anodyne NC(=O)c1cccc(-c2ccnc3c2C[C@H](C(=O)NCc2cccc(Cl)c2)O3)c1 ZINC000061908139 HG Annotated Anodyne CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)Cc1nccs1 ZINC000061908639 HG Annotated Anodyne Cc1cc(C)c2c(=O)n3c(nc2c1)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1-3 ZINC000061921425 HG Annotated Anodyne Cc1cc(C)c2c(=O)n3c(nc2c1)[C@H](Cc1ccc(O)cc1)NC(=O)c1cccnc1-3 ZINC000061921426 HG Annotated Anodyne O=C1N[C@@H](Cc2ccc(O)cc2)c2nc3cc(Cl)ccc3c(=O)n2-c2ncccc21 ZINC000061921437 HG Annotated Anodyne O=C1N[C@H](Cc2ccc(O)cc2)c2nc3cc(Cl)ccc3c(=O)n2-c2ncccc21 ZINC000061921438 HG Annotated Anodyne O=C1N[C@H](Cc2ccccc2)c2nc3cc(F)c(F)cc3c(=O)n2-c2ncccc21 ZINC000061921443 HG Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)c2nc3cc(F)c(F)cc3c(=O)n2-c2ncccc21 ZINC000061921444 HG Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N(CC)CC)=C1C ZINC000061921489 HG Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(CC)CC)=C1C ZINC000061921492 HG Annotated Anodyne C[C@@H](NC(=O)c1ncn2c1c(=O)[nH]c1ccc(Br)cc12)c1ccccc1 ZINC000061922158 HG Annotated Anodyne CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C ZINC000061922184 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923005 HG Annotated Anodyne COc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000061923144 HG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923480 HG Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccccc1 ZINC000061923483 HG Annotated Anodyne COc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000061923878 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CC)CCN(C)C ZINC000061925989 HG Annotated Anodyne CCc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1N(C)CCCc1ccccc1 ZINC000061926773 HG Annotated Anodyne CSc1ccc(CN2CC[C@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000061927221 HG Annotated Anodyne CSc1ccc(CN2CC[C@@]2(C)C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1 ZINC000061927222 HG Annotated Anodyne Cn1nccc1-c1ccc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)c2occc12 ZINC000061928837 HG Annotated Anodyne COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 ZINC000061928861 HG Annotated Anodyne COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 ZINC000061928864 HG Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(C)Cc1nccs1 ZINC000061929371 HG Annotated Anodyne N[C@H](c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1)c1ccccc1Cl ZINC000061929529 HG Annotated Anodyne N[C@@H](c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1)c1ccccc1Cl ZINC000061929531 HG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(-c3cccs3)oc2C)C1 ZINC000061929607 HG Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(-c3cccs3)oc2C)C1 ZINC000061929609 HG Annotated Anodyne CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061930765 HG Annotated Anodyne CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 ZINC000061930766 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)Cn3ccc4nc(C)cc(C)c4c3=O)C[C@@H]2C)c1 ZINC000061935679 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)Cn3ccc4nc(C)cc(C)c4c3=O)C[C@H]2C)c1 ZINC000061935681 HG Annotated Anodyne CN(CCCn1cnc2c(OCc3ccccc3)ncnc21)CCc1ccccn1 ZINC000061935961 HG Annotated Anodyne N#C[C@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000061942498 HG Annotated Mild N#C[C@@H]1c2ccccc2-n2nncc2CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000061942501 HG Annotated Mild N#C/C(=C\c1cccn1S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000061944510 HG Annotated Reactive Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)n[nH]1 ZINC000061945287 HG Annotated Anodyne Nc1nc(SCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)n[nH]1 ZINC000061945291 HG Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=O)[C@H](O)C[C@@H]3[C@H]12 ZINC000061946940 HG Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OC(C)=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=O)[C@H](O)C[C@@H]3[C@@H]12 ZINC000061946941 HG Annotated Anodyne C[C@@H](CNC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21)c1ccccc1 ZINC000061947311 HG Annotated Anodyne C[C@H](CNC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21)c1ccccc1 ZINC000061947312 HG Annotated Anodyne O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCc1ccc2[nH]ccc2c1 ZINC000061947319 HG Annotated Anodyne O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCCCc1ccccc1 ZINC000061947323 HG Annotated Anodyne CSc1nc(N)nc2c1ncn2CC(=O)NCC(c1ccccc1)c1ccccc1 ZINC000061947337 HG Annotated Anodyne CC1CCN(c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NC4CC4)c2C3=O)CC1 ZINC000061948768 HG Annotated Anodyne O=C(NC1CCCC1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O ZINC000061948779 HG Annotated Anodyne O=c1oc2ccc(C#CC3(O)CCCCC3)cc2cc1-n1cc(-c2ccccn2)nn1 ZINC000061949479 HG Annotated Mild CC(C)(O)c1cc2ccc(C#CCCN3C(=O)c4ccccc4C3=O)cc2c(=O)o1 ZINC000061949565 HG Annotated Mild CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1ccccc1 ZINC000061958893 HG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1ccccc1 ZINC000061958899 HG Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1ccccc1 ZINC000061958900 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(C)cc3)C(=O)[C@@]12C ZINC000061959498 HG Annotated Anodyne COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061959517 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@@]12C ZINC000061959526 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3cccc(F)c3)C(=O)[C@@]12C ZINC000061959604 HG Annotated Anodyne CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3cccc(C)c3)C(=O)[C@]12C ZINC000061959635 HG Annotated Anodyne COc1cc(OC)cc(-c2oc(=O)c3cc(OC)c(OC)cc3c2C#CCCO)c1 ZINC000061969014 HG Annotated Mild CCc1noc(C)c1C(=O)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000061969736 HG Annotated Anodyne CCc1noc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000061969737 HG Annotated Anodyne CC(C)c1cc(C(=O)N2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)no1 ZINC000061969804 HG Annotated Anodyne CC(C)c1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)no1 ZINC000061969805 HG Annotated Anodyne Cc1ccccc1N1CCN([C@@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)CC1 ZINC000061970954 HG Annotated Anodyne Cc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)CC1 ZINC000061970956 HG Annotated Anodyne Cn1c(=O)nc(O)c2c1nc(N=Nc1c(O)[nH]c3ccccc13)n2Cc1ccccc1 ZINC000617960023 HG Annotated Clean CO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000617968491 HG Annotated Anodyne CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)c(OC)cc1Br ZINC000617968492 HG Annotated Anodyne C[C@@H]1CCCN(CCCNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccccc2)C1 ZINC000618005085 HG Annotated Anodyne C[C@@H]1CCCN(CCCNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccccc2)C1 ZINC000618005091 HG Annotated Anodyne C[C@H]1CCCN(CCCNC(=O)[C@]2(O)c3ccccc3NC(=O)N2c2ccccc2)C1 ZINC000618005092 HG Annotated Anodyne C[C@H]1CCCN(CCCNC(=O)[C@@]2(O)c3ccccc3NC(=O)N2c2ccccc2)C1 ZINC000618005093 HG Annotated Anodyne COC(=O)c1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 ZINC000618007166 HG Annotated Anodyne COC(=O)c1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 ZINC000618007170 HG Annotated Anodyne COc1cccc([C@@H]2/C(=C(\O)OCc3ccccc3)C(C)=Nc3nnnn32)c1OC ZINC000618007209 HG Annotated Anodyne COc1cccc([C@H]2/C(=C(\O)OCc3ccccc3)C(C)=Nc3nnnn32)c1OC ZINC000618007211 HG Annotated Anodyne Cc1nc2c(C(=O)N3CCC4(CC3)OCCO4)cnn2c(C)c1Cc1ccc(F)cc1 ZINC000618007435 HG Annotated Anodyne Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3nncc-3c2O)cc1Cl ZINC000618007504 HG Annotated Anodyne CN(C)CCSSCCC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000618007617 HG Annotated Reactive NCCSSCCCNC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000618007653 HG Annotated Reactive Cc1oc2ccccc2c1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 ZINC000618007986 HG Annotated Reactive CCC[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618008130 HG Annotated Reactive CC(C)C[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618008660 HG Annotated Reactive CC(C)C[C@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618008664 HG Annotated Reactive CN(C)CCSSCCNC(=O)C(C)(C)N(C)C(=O)OCc1ccccc1 ZINC000618008821 HG Annotated Reactive CN(C)CCSSCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000618008838 HG Annotated Reactive CC(C)[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C ZINC000618008879 HG Annotated Reactive CC(C)[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCCCSSCCN(C)C ZINC000618008880 HG Annotated Reactive CC(C)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009029 HG Annotated Reactive CC(C)[C@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009030 HG Annotated Reactive CC[C@H](C)[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009258 HG Annotated Reactive CCCC[C@@H](C(=O)NCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618009347 HG Annotated Reactive CN(C)CCSSCCN(C)C(=O)COc1ccc(Br)cc1 ZINC000618009501 HG Annotated Reactive COc1cc(CCC(=O)N(C)CCSSCCN(C)C)cc(OC)c1OC ZINC000618009846 HG Annotated Reactive CN(C)CCSSCCN(C)C(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000618010047 HG Annotated Reactive c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCNCC3)CC2)c1 ZINC000618010181 HG Annotated Anodyne CC(C)[C@@H](C(=O)N(C)CCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618010495 HG Annotated Reactive CC(C)[C@H](C(=O)N(C)CCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618010503 HG Annotated Reactive CN(C)CCSSCCCNC(=O)COc1ccc(Br)cc1 ZINC000618012558 HG Annotated Reactive CC(C)[C@H](C(=O)NCCCSSCCN(C)C)N1Cc2ccccc2C1=O ZINC000618012732 HG Annotated Reactive CC(C)[C@@H](C(=O)NCCCSSCCN(C)C)N1Cc2ccccc2C1=O ZINC000618012736 HG Annotated Reactive Cc1cc(-c2csc(NC(=O)[C@@H]3CCC(=O)NN3)n2)c(C)n1-c1ccc(F)cc1 ZINC000618013009 HG Annotated Clean Cc1cc(-c2csc(NC(=O)[C@H]3CCC(=O)NN3)n2)c(C)n1-c1ccc(F)cc1 ZINC000618013022 HG Annotated Clean O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)[C@H]1NNC(=O)[C@@H]2CCCC[C@@H]12 ZINC000618013243 HG Annotated Anodyne O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)[C@H]1NNC(=O)[C@@H]2CCCC[C@H]12 ZINC000618013249 HG Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000618013366 HG Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NC1(c2ccc(Cl)cc2)CCC1 ZINC000618013368 HG Annotated Anodyne CC1CCC2(CC1)NC(=O)N([C@@H]1C(=O)N[C@@H]3CCCC[C@@H]3[C@H]1c1ccccc1)C2=O ZINC000618014921 HG Annotated Anodyne CC1CCC2(CC1)NC(=O)N([C@@H]1C(=O)N[C@@H]3CCCC[C@H]3[C@@H]1c1ccccc1)C2=O ZINC000618014926 HG Annotated Anodyne CC1CCC2(CC1)NC(=O)N([C@@H]1C(=O)N[C@@H]3CCCC[C@H]3[C@H]1c1ccccc1)C2=O ZINC000618014927 HG Annotated Anodyne CC1CCC2(CC1)NC(=O)N([C@@H]1C(=O)N[C@@H]3CCCC[C@@H]3[C@@H]1c1ccccc1)C2=O ZINC000618014928 HG Annotated Anodyne CCn1cc(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)c(C)n1 ZINC000618016893 HG Annotated Anodyne Cc1cc(C(=O)NCCSSCCN(C)C)cc2c(Br)n[nH]c12 ZINC000618017088 HG Annotated Reactive Cc1nc2cc(C(=O)NCCSSCCN(C)C)cc(Br)c2[nH]1 ZINC000618017208 HG Annotated Reactive CN1CCC(C(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCCC2)CC1 ZINC000618017220 HG Annotated Anodyne Cc1nc(C(=O)N2CC[C@H]3NC(=O)c4ccccc4OCC/C=C/C[C@H]3C2)cs1 ZINC000618017320 HG Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000618020213 HG Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000618020221 HG Annotated Anodyne COc1ncc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 ZINC000062179108 HG Annotated Anodyne CC(C)N1[C@H]2CC[C@H](Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)C[C@@H]1C2 ZINC000062179143 HG Annotated Anodyne CC(C)N1[C@H]2CC[C@@H](Oc3ccc4nc(C(=O)N5CCOCC5)ccc4c3)C[C@@H]1C2 ZINC000062179146 HG Annotated Anodyne Fc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2C[C@@H]3C[C@H]2CN3C2CCC2)cc1 ZINC000062224997 HG Annotated Anodyne O=C(O)CN1C(=O)/C(=C/c2c[nH]nc2-c2ccc(C(F)(F)F)cc2)SC1=S ZINC000062233353 HG Annotated Clean NC(=O)c1sc2cncc(N3CCC[C@@H](COc4ccccc4F)C3)c2c1N ZINC000621430177 HG Annotated Anodyne NC(=O)c1sc2cncc(N3CCC[C@H](COc4ccccc4F)C3)c2c1N ZINC000621430178 HG Annotated Anodyne NC1(c2cn(C3(C(=O)COc4c(F)c(F)cc(F)c4F)CC3)nn2)CCCCC1 ZINC000621430796 HG Annotated Anodyne COc1ccc(-c2cc(C(=O)N3CCOC[C@H]3Cc3ccccc3)on2)cc1OC ZINC000621431162 HG Annotated Anodyne CC(C)(C)OC(=O)NC1(c2cn(C3(/C=C/S(C)(=O)=O)CC3)nn2)CCCCC1 ZINC000621431352 HG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(Cl)c1Cl ZINC000621471777 HG Annotated Anodyne CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(Cl)c1Cl ZINC000621471778 HG Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000621473530 HG Annotated Anodyne CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000621473532 HG Annotated Anodyne NC1CCN(C(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477309 HG Annotated Reactive CN1CCN(C(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477363 HG Annotated Reactive CC(C)(CN)CNC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477575 HG Annotated Reactive CC(C)(CN)CNC(=O)C[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621477634 HG Annotated Reactive CN1CCN(C(=O)C[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477678 HG Annotated Reactive NC1CCN(C(=O)C[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 ZINC000621477738 HG Annotated Reactive C#CCN(CCN(C)S(=O)(=O)C=C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000621485828 HG Annotated Mild CC[C@H](C)[C@@H]1C(=O)O[C@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21 ZINC000062611611 HG Annotated Mild in-vitro CC[C@@H](C)[C@H]1C(=O)O[C@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21 ZINC000062611613 HG Annotated Mild CC[C@H](C)[C@H]1C(=O)O[C@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21 ZINC000062611616 HG Annotated Mild in-vitro CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12 ZINC000063298085 HG Annotated Anodyne CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12 ZINC000063298136 HG Annotated Anodyne CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12 ZINC000063298152 HG Annotated Anodyne CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1c(Oc2nnnn2-c2ccccc2)cccc13 ZINC000064251836 HG Annotated Anodyne CN(C)/N=N\C(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C ZINC000064311297 HG Annotated Clean CN(C)/N=N\C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C ZINC000064311298 HG Annotated Clean CCOc1cc(Br)cc(/C=N\NC(=O)COc2cccc(C)c2)c1O ZINC000064394343 HG Annotated Reactive O=C(O)/C=C/C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064409777 HG Annotated Mild Cc1ccc2c(c1)[n+](=O)c(C(=O)NCc1ccc(Br)cc1)c(C)n2O ZINC000064417455 HG Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000064447100 HG Annotated Bother COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@@H](O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 ZINC000064447145 HG Annotated Reactive COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@H](O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 ZINC000064447147 HG Annotated Reactive Cc1cccc(NC2=C(Cl)C(=O)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 ZINC000064447650 HG Annotated Anodyne O=c1c2ccccc2c(Cc2nnc(C(F)(F)F)o2)nn1Cc1ccc(Cl)nc1 ZINC000064448221 HG Annotated Anodyne CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1c1cnc2ccccc2c1 ZINC000064448630 HG Annotated Anodyne CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@H]1c1cnc2ccccc2c1 ZINC000064448632 HG Annotated Anodyne COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@@H](O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 ZINC000064453578 HG Annotated Reactive COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2O[C@H](O)[C@H](C)[C@@]24CC[C@]3(C)OO4)cc1 ZINC000064453580 HG Annotated Reactive NCCCNCCCCNCCC/N=C1/CCCc2cc(Br)ccc2N1 ZINC000064454305 HG Annotated Mild COc1ccc(CO[C@H]2C[C@H]3[C@@H]([C@H]2C)[C@H]2OC(=O)[C@H](C)[C@@]24C=C[C@]3(C)OO4)cc1 ZINC000064454364 HG Annotated Reactive O=[N+]([O-])c1ccc(/C=N/NC2=NS(=O)(=O)c3ccccc3N2c2ccccc2)o1 ZINC000064491767 HG Annotated Mild N#Cc1c(-c2ccccc2)cn(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1N ZINC000064503480 HG Annotated Mild CC(=O)O[C@@H](C)C1=C(Br)C(=C(Br)Br)OC1=O ZINC000064510431 HG Annotated Anodyne CC(=O)O[C@H](C)C1=C(Br)C(=C(Br)Br)OC1=O ZINC000064510433 HG Annotated Anodyne CN1CCN(c2ncc([N+](=O)[O-])c(Nc3ccccc3C(=O)c3ccccc3)n2)CC1 ZINC000064516612 HG Annotated Clean O=S(=O)(c1cn([C@@H]2CCCNC2)c2ncccc12)c1c(Cl)nc2sccn12 ZINC000064521304 HG Annotated Anodyne O=S(=O)(c1cn([C@H]2CCCNC2)c2ncccc12)c1c(Cl)nc2sccn12 ZINC000064521305 HG Annotated Anodyne Cc1cc([C@]2(c3ccc(F)c(C#CCF)c3)NC(=N)N(C)C2=O)ccc1OC(F)F ZINC000064526949 HG Annotated Mild COc1cccc(Nc2nc(-c3cccc(S(C)(=O)=O)c3)nc3c2cnn3C)c1 ZINC000064538977 HG Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2ccc(Br)cc2)s1 ZINC000064540289 HG Annotated Mild COc1ccc(C#Cc2nc3cc(F)ccc3nc2OCCOCCN(C)C)cc1 ZINC000064540943 HG Annotated Mild Cn1ncc2c(Nc3ccc(S(C)(=O)=O)cc3)nc(-c3cccc4[nH]ncc34)nc21 ZINC000064541116 HG Annotated Anodyne Cc1ccc(CNCC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1 ZINC000064548824 HG Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)c3coc(Br)c3)CC2)nc1 ZINC000064549189 HG Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)CC2)nc1 ZINC000064549474 HG Annotated Anodyne CCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549904 HG Annotated Mild CCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCC1=O ZINC000064549905 HG Annotated Mild COc1ccc(NS(=O)(=O)c2c3ccoc3c(OC)c3oc(=O)ccc23)cc1 ZINC000064549954 HG Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 ZINC000064553006 HG Annotated Anodyne CN1CC[C@@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 ZINC000064553014 HG Annotated Anodyne COCCOCCCc1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12 ZINC000064559073 HG Annotated Anodyne CN1CCN(Cc2c(O)ccc3c2nc(CSc2ccc(F)cc2)n3C)CC1 ZINC000064559268 HG Annotated Clean C[C@@](O)(c1ccc(S(=O)(=O)c2ccc(NC(N)=O)cc2Cl)cc1)C(F)(F)F ZINC000064559373 HG Annotated Anodyne C[C@](O)(c1ccc(S(=O)(=O)c2ccc(NC(N)=O)cc2Cl)cc1)C(F)(F)F ZINC000064559374 HG Annotated Anodyne CCCCCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559921 HG Annotated Mild CCCCCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCOCC1 ZINC000064559923 HG Annotated Mild O=S1CCN(c2nc(Nc3ccc4[nH]ncc4c3)cc(-c3cccc(O)c3)n2)CC1 ZINC000064559974 HG Annotated Anodyne CCN(CC)c1ccc(/C=N\c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1 ZINC000006508348 HG Annotated Mild C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000006512579 HG Annotated Reactive Cc1c(N2C[C@@H]3CCCC[C@]3(CN)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520968 HG Annotated Anodyne Cc1ccccc1[C@@H]1CC(=O)C[C@H](c2ccccc2C)C12C(=O)NC(=S)NC2=O ZINC000006523304 HG Annotated Anodyne Cc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2C)C12C(=O)NC(=S)NC2=O ZINC000006523306 HG Annotated Anodyne Cc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2C)C12C(=O)NC(=S)NC2=O ZINC000006523313 HG Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000006530848 HG Annotated Anodyne CC(=O)c1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 ZINC000006530850 HG Annotated Anodyne N#Cc1nn(-c2ccc(Cl)cc2)c(=N)c2c(N)n3nc(-c4ccccc4)cc3nc12 ZINC000006575884 HG Annotated Mild O=C(O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@@H]3C=C[C@H]2C3)c1 ZINC000006576650 HG Annotated Anodyne O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)OCC(F)(F)C(F)F)[C@@H]3C=C[C@H]2C3)c1 ZINC000006576651 HG Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000006576808 HG Annotated Anodyne CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000006602327 HG Annotated Mild CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@@H]3C)c21 ZINC000006634591 HG Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@H]3C)c21 ZINC000006634592 HG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccccc2)C[C@H](OCCCCO)O1 ZINC000006694692 HG Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1 ZINC000006694700 HG Annotated Anodyne CCc1cc(C#N)ccc1N1CCc2c(-n3ccc(N4CCNC4=O)n3)cc(C)nc21 ZINC000006716355 HG Annotated Mild C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(c3ncnc4c3nc3n4CCCCC3)C2)C1 ZINC000006724935 HG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCc3ccccc3Cl)[C@@H]4C2=O)cc1 ZINC000006725122 HG Annotated Anodyne CS(=O)(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2 ZINC000006732683 HG Annotated Anodyne COCCNc1nc2ccccc2c2nc(CCn3c(C)nc4ccccc43)nn12 ZINC000006733000 HG Annotated Anodyne CCS(=O)(=O)N1CC=C(c2c(C)n(CC(=O)N3CCCC3)c3ccccc23)CC1 ZINC000006737436 HG Annotated Anodyne O=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006745338 HG Annotated Anodyne CC[C@H](C)NC(=O)CCCc1nnc2n(CCC(C)C)c(=O)c3sccc3n12 ZINC000006780087 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)C[C@@H]2C)c1 ZINC000006781949 HG Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3sc4nc5n(c(=O)c4c3C)CCC5)C[C@H]2C)c1 ZINC000006781951 HG Annotated Anodyne COc1cc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc(Cl)c1OC(C)C ZINC000006786483 HG Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CCCn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000006797488 HG Annotated Anodyne CCCCn1c(=O)n(-c2ccc(F)cc2)c(=O)c2c3c(sc21)CN(C(C)=O)CC3 ZINC000006805055 HG Annotated Anodyne Cc1cc(C)c(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c(C)c1 ZINC000006807169 HG Annotated Anodyne CCc1cccc(C)c1NC(=O)C1CCN(c2nn3c(=O)cc(C)nc3s2)CC1 ZINC000006807171 HG Annotated Anodyne aggregator Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)Nc3cccc(Cl)c3C)sc2n1 ZINC000006807228 HG Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)Nc3cccc(Cl)c3C)sc2n1 ZINC000006807229 HG Annotated Anodyne CCc1cccc(C)c1NC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 ZINC000006820431 HG Annotated Anodyne CCn1nc(C)c2c(C(F)(F)C(F)(F)F)cc(=O)n(CC(=O)N3CCCCC3)c21 ZINC000006857914 HG Annotated Anodyne O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)NC[C@@H]1CCCO1 ZINC000006867293 HG Annotated Anodyne O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)NC[C@H]1CCCO1 ZINC000006867296 HG Annotated Anodyne C=CCOC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)[C@H](CCCO)[C@@H](OCC)O1 ZINC000006892224 HG Annotated Mild Cc1cccnc1NC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006899840 HG Annotated Anodyne Cc1cccnc1NC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 ZINC000006899842 HG Annotated Anodyne CCN(CCCNC(=O)Cn1ncc2c([nH]c3ccccc32)c1=O)c1cccc(C)c1 ZINC000006900188 HG Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)cc(=O)n(CC(=O)NCCc4ccccc4)c32)cc1 ZINC000006916310 HG Annotated Anodyne Cc1nn(-c2ccccc2)c2c1N(CC(=O)NCCc1cccs1)C(=O)CS2 ZINC000006917391 HG Annotated Anodyne CN(Cc1ccccc1)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1 ZINC000006936748 HG Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccc3c(c12)[C@H](O)CC(C)(C)O3 ZINC000006940617 HG Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccc3c(c12)[C@@H](O)CC(C)(C)O3 ZINC000006940621 HG Annotated Anodyne CC[C@@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000006941745 HG Annotated Anodyne CC[C@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000006941750 HG Annotated Anodyne Cc1nn(CC(=O)NCCC2=CCCCC2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000006943660 HG Annotated Anodyne CC[C@@H](C(=O)NCCc1ccco1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006944429 HG Annotated Anodyne CC[C@H](C(=O)NCCc1ccco1)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O ZINC000006944435 HG Annotated Anodyne C=C1C[C@@H]2[C@H](C[C@H](O)[C@@]3(C)[C@@H]2CC[C@@]32OCO[C@]23COCO3)[C@@]2(C)CCC(=O)C=C12 ZINC000006995520 HG Annotated Anodyne CCn1ncc2cc(-c3cc(=O)n4nc(NC(C)=O)c(-c5ccccn5)c4[nH]3)ccc21 ZINC000653663543 HG Annotated Anodyne CCCCC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 ZINC000653664346 HG Annotated Anodyne COCCN1C[C@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)c3)[C@H]2C1 ZINC000653664375 HG Annotated Anodyne O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccc(N4CCCC4)nc3)cnn12 ZINC000653666160 HG Annotated Anodyne Fc1cc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1F ZINC000653667293 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC3)n2)cc1Oc1ccccn1 ZINC000653667739 HG Annotated Anodyne COc1ccc(-c2cnc3cnc(-c4ccc(N5CCN(C)CC5)cc4)cn23)cn1 ZINC000653667744 HG Annotated Anodyne N#Cc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1 ZINC000653668773 HG Annotated Mild CN(CC(F)(F)F)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653669366 HG Annotated Anodyne Nc1ncc(-c2cc(C3CN([C@H]4CCOC4)C3)cc(C3CC3)n2)cc1OC(F)F ZINC000653680451 HG Annotated Anodyne Nc1ncc(-c2cc(C3CN([C@@H]4CCOC4)C3)cc(C3CC3)n2)cc1OC(F)F ZINC000653680452 HG Annotated Anodyne Nc1nccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653681036 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653683852 HG Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccc(O)cc1O ZINC000653683853 HG Annotated Anodyne CSc1ncc(-c2ccc(S(=O)(=O)Nc3cccc(C(=O)O)c3)s2)cn1 ZINC000653684780 HG Annotated Anodyne Nc1ncc(-c2cc([C@@H]3CCN(C4COC4)C3)cc(C3CC3)n2)cc1OC(F)F ZINC000653686250 HG Annotated Anodyne Nc1ncc(-c2cc([C@H]3CCN(C4COC4)C3)cc(C3CC3)n2)cc1OC(F)F ZINC000653686251 HG Annotated Anodyne Cc1cc(Nc2csc3c(=N[C@@H]4CCNC4)nc(-c4ccncc4F)[nH]c23)no1 ZINC000653686473 HG Annotated Anodyne CN(C)CCCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 ZINC000653687056 HG Annotated Mild Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(Br)c2n1 ZINC000653687503 HG Annotated Anodyne CN(C)CCCCn1c(N)c(-c2nc3ccccc3s2)c2nc(C#N)c(C#N)nc21 ZINC000653688516 HG Annotated Mild O=c1c2oc3nc(C(F)(F)F)ccc3c2ncn1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000653690489 HG Annotated Mild COc1ccc2c(c1NC(=O)CN)CCCC=C2c1cc(OC)c(OC)c(OC)c1 ZINC000653691217 HG Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(Cn1ccnc1)=C2CCC1=CCOC1=O ZINC000653699625 HG Annotated Anodyne O=[N+]([O-])c1ccc(-n2cc(CN3CCCN(c4noc5ccccc45)CC3)nn2)cc1 ZINC000653702394 HG Annotated Bother CC(C)c1ccccc1OCCN1C[C@H]2C[C@H]1CN2S(=O)(=O)c1ccc(F)cc1 ZINC000653703195 HG Annotated Anodyne NC(=O)CCNC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1O ZINC000653705302 HG Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=N\NC(=O)c1ccncc1 ZINC000653708688 HG Annotated Reactive O=[N+]([O-])c1ccc(-c2nnc(CCSC(=S)NCc3cccnc3)o2)cc1 ZINC000653708995 HG Annotated Clean CC1(C(=O)NC(C)(C)C(=O)Nc2nc(C(C)(C)C)n(-c3ccc(F)cc3)n2)CC1 ZINC000653712867 HG Annotated Anodyne COC(=O)c1[nH]c2ccc(Cl)cc2c1C(=O)c1cc(OC)c(OC)c(OC)c1N ZINC000653715453 HG Annotated Anodyne COc1cccc(OC)c1/C=N/NC(=O)c1oc2nc(C(F)(F)F)ccc2c1N ZINC000653715989 HG Annotated Reactive C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC(=O)N1SC ZINC000653721732 HG Annotated Mild C=CCON(C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC(=O)N1SC ZINC000653721733 HG Annotated Mild CNC(=O)c1ccc2[nH]nc(Cc3ccc(-c4cnn(CC(C)(C)O)c4)cc3)c2c1 ZINC000653722024 HG Annotated Anodyne CO[P@](=O)(c1cc(C)cc(OCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653723500 HG Annotated Reactive CO[P@@](=O)(c1cc(C)cc(OCC#N)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12 ZINC000653723501 HG Annotated Reactive CCOC(=O)[C@@H]1c2c(OC)cc(OC)cc2C(=O)[C@H]1c1cc(OC)cc(OC)c1 ZINC000653725590 HG Annotated Anodyne CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccc(O)cc1 ZINC000653726122 HG Annotated Mild CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@@H]1c1ccc(O)cc1 ZINC000653726123 HG Annotated Mild COc1cc(-c2cc(CO)c3c(OC)c(OC)c(OC)cc3n2)cc(OC)c1OC ZINC000653726153 HG Annotated Anodyne CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccc(N)cc1 ZINC000653726216 HG Annotated Mild CC/N=C(/NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@@H]1c1ccc(N)cc1 ZINC000653726217 HG Annotated Mild O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccccc1 ZINC000653727859 HG Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccc(Cl)cc4)o3)nn2)c(N)n1 ZINC000653730850 HG Annotated Anodyne O=C1NC(=Nc2nccs2)S/C1=C1\C(=O)Nc2ccc(Br)cc21 ZINC000653733718 HG Annotated Mild Oc1ncnc2c(-n3cc(CCN4CCC(c5ccc(F)cc5)CC4)cn3)nccc12 ZINC000653735523 HG Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(c5ccccc5)CC4)cn3)nccc12 ZINC000653735579 HG Annotated Anodyne COC1CN(C(=O)c2ccc3[nH]nc(Cc4ccc(-c5cnn(C)c5)cc4)c3c2)C1 ZINC000653737475 HG Annotated Anodyne Oc1ncnc2c(-n3cc(CCN4CCC(c5cccs5)CC4)cn3)nccc12 ZINC000653737538 HG Annotated Anodyne CC(=O)O[C@H](C[C@H](C[C@H](O)/C=C/c1ccccc1)OC(=O)O)C[C@H]1CC=CC(=O)O1 ZINC000653739153 HG Annotated Anodyne O=C1C[C@H](N(OCc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000653742629 HG Annotated Bother O=C1C[C@@H](N(OCc2ccccc2)C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)N1 ZINC000653742630 HG Annotated Bother Oc1ncnc2c(-n3cc(CCN4CCC(Cc5ccccc5)CC4)cn3)nccc12 ZINC000653742638 HG Annotated Anodyne Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4Cl)o3)nn2)c(N)n1 ZINC000653742673 HG Annotated Anodyne COc1c(F)cccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000653745814 HG Annotated Anodyne COc1c(C#N)cccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000653745818 HG Annotated Mild Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccccc2C(F)(F)F)C3=O)n1 ZINC000653747946 HG Annotated Anodyne Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(N3CC(F)C3)n2)cc1Cl ZINC000653747971 HG Annotated Anodyne C[C@H](c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C1CC1 ZINC000653748006 HG Annotated Anodyne C[C@@H](c1nc(-c2cnc(N)c(OC(F)F)c2)cc(N2C[C@@H]3C[C@H]2CO3)n1)C1CC1 ZINC000653748008 HG Annotated Anodyne O=C(Nc1nc2cc(CO)ccc2n1[C@@H]1CC[C@@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000653749378 HG Annotated Bother Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2cccc(C(F)(F)F)c2)C3=O)n1 ZINC000653754029 HG Annotated Anodyne O=Cc1c(-c2nc(=NCCCN3CCOCC3)c3ccccc3[nH]2)[nH]c2ccccc12 ZINC000653754292 HG Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C3=O)n1 ZINC000653758336 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653758357 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653758358 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653758359 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653758360 HG Annotated Anodyne Nc1ncc(-c2cc([C@H]3[C@@H]4CN(C5COC5)C[C@@H]43)cc(C3CC3)n2)cc1OC(F)F ZINC000653758397 HG Annotated Anodyne Nc1ccc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)nn1 ZINC000653762273 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H]3C4)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653762412 HG Annotated Anodyne Cn1ncn(-c2ncnc3scc(-c4cccc(S(C)(=O)=O)c4)c23)c1=S ZINC000653763574 HG Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCCC3)n2)cc1OC(F)F ZINC000653763582 HG Annotated Anodyne Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)cc3)no2)cc(NC(C)C)n1 ZINC000653764389 HG Annotated Anodyne CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1 ZINC000653764967 HG Annotated Anodyne Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(NC(C)C)n1 ZINC000653766315 HG Annotated Anodyne Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(CC(C)C)n1 ZINC000653766337 HG Annotated Anodyne Cc1cc(-c2nc(-c3ccc(OC[C@H]4COC(=O)N4)c(C)n3)no2)cc(CC(C)C)n1 ZINC000653766409 HG Annotated Anodyne Cc1cc(-c2nc(-c3cc(C)c(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 ZINC000653766410 HG Annotated Anodyne CC(C)(O)CN1CC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)c2)C1 ZINC000653767527 HG Annotated Anodyne Cc1cc(-c2nc(-c3ccc(O[C@H]4CCC(=O)NC4)c(C)n3)no2)cc(NC(C)C)n1 ZINC000653767649 HG Annotated Anodyne O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cc3ccccc3n2)n1 ZINC000653767917 HG Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@H]4OCCN3C[C@H]4C[C@H]3CO4)c12 ZINC000653768445 HG Annotated Anodyne CC(C)c1csc2ncnc(N3C[C@H]4C[C@H]3C[C@@H]4OCCN3C[C@H]4C[C@H]3CO4)c12 ZINC000653768446 HG Annotated Anodyne Cc1nc2cnc(Nc3ccnc(N4CC[C@H](O)C(F)(F)C4)n3)cc2n1C(C)C ZINC000653768487 HG Annotated Anodyne COCCN1CCC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)n2)CC1 ZINC000653769207 HG Annotated Anodyne CSc1nn2cc(-c3nc4c(OCCN5CCOCC5)cccc4o3)nc2s1 ZINC000653769218 HG Annotated Anodyne Cn1ccc2cc(-c3cnc4cnc(-c5cccc(C(=O)NCCO)c5)cn34)ccc21 ZINC000653773180 HG Annotated Anodyne C[C@]1(c2ccccc2)SC(NC(=O)C(Cl)Cl)=NN1C(=O)C(Cl)Cl ZINC000653775503 HG Annotated Reactive C[C@@]1(c2ccccc2)SC(NC(=O)C(Cl)Cl)=NN1C(=O)C(Cl)Cl ZINC000653775504 HG Annotated Reactive Cc1nn(C)c(C)c1Cc1noc(-c2cccnc2OC2CCN(C(C)C)CC2)n1 ZINC000653779516 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C2(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1F ZINC000653780329 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)C2(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)cc1F ZINC000653780332 HG Annotated Anodyne O=C1/C(=C/c2ccc(O)cc2)NC(=S)N1c1ccc(I)cc1 ZINC000653782497 HG Annotated Anodyne O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(I)cc1 ZINC000653782517 HG Annotated Anodyne CN(CCC#N)C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653782546 HG Annotated Mild COc1ccccc1OCCNC(=O)c1cc2c(ccc3c(C)cc(=O)oc32)oc1=N ZINC000653782731 HG Annotated Bother O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653783673 HG Annotated Anodyne COc1ccc(-c2nc(NC(=O)NCC(=O)NO)cc3c2[nH]c2ccccc23)cc1 ZINC000653785932 HG Annotated Bother O=C(O)Cc1ccc(-c2ccc(CN3CC(=O)N(C4CCCCC4)C3=O)nc2)cc1 ZINC000653785985 HG Annotated Anodyne Cn1nccc1-c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 ZINC000653786676 HG Annotated Anodyne O=C1O[C@@H](Cn2ccnc2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653787421 HG Annotated Anodyne O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cnccn1 ZINC000653790138 HG Annotated Anodyne COc1ccc(-c2nc(NC(=O)NCC(=O)NO)cc3c4ccccc4n(C)c23)cc1 ZINC000653790488 HG Annotated Bother CC(C)c1nc(C(=O)NC2CCN(CC3(F)CCOCC3)CC2)c2ccccn12 ZINC000653790950 HG Annotated Anodyne O=S(=O)(Nc1cccc(Cl)c1)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653791410 HG Annotated Mild C[C@@H](NS(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1)C1CCCCC1 ZINC000653791411 HG Annotated Mild CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000653793008 HG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3o2)CC1 ZINC000653793009 HG Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2=Nc3ccccc3C2)CC1 ZINC000653793016 HG Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2=Nc3ccccc3C2)CC1 ZINC000653793017 HG Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)C12CC3CC(CC(C3)C1)C2 ZINC000653793043 HG Annotated Anodyne Nc1nc(C(=O)NCc2cccc3cccnc23)c2cccc(-c3cncnc3)c2n1 ZINC000653795247 HG Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@H]34)c2C)cc1 ZINC000653796712 HG Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@H]34)c2C)cc1 ZINC000653796713 HG Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@]4(C)c5ccccc5N(C)[C@@H]34)c2C)cc1 ZINC000653796714 HG Annotated Anodyne Cc1ccc(C[n+]2ccn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(C)[C@@H]34)c2C)cc1 ZINC000653796717 HG Annotated Anodyne N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3cc(C(=O)O)ccn23)cc1 ZINC000653799304 HG Annotated Anodyne CC[C@@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653799978 HG Annotated Anodyne CC[C@H](c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653799979 HG Annotated Anodyne COc1ccc(-c2nc(NC(=O)NCCC(=O)NO)cc3c2[nH]c2ccccc23)cc1 ZINC000653803260 HG Annotated Bother CC(C)c1nc(C(=O)NCC2(F)CCN(CC3CCOCC3)CC2)c2ccccn12 ZINC000653803685 HG Annotated Anodyne C[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653803759 HG Annotated Anodyne C[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653803761 HG Annotated Anodyne O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1cccc2c1CCCC2 ZINC000653803762 HG Annotated Anodyne O=C(COc1ccc(C(=O)c2ccccc2Br)cc1)Nc1cncnc1 ZINC000653803763 HG Annotated Anodyne O=C(NCc1ccccc1)c1cccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 ZINC000653804915 HG Annotated Anodyne O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(I)c1 ZINC000653804940 HG Annotated Anodyne O=C(NCc1ccccc1)c1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000653805782 HG Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653805841 HG Annotated Anodyne CN(C)CCNc1c2c(c(NCCN(C)C)c3occc13)C(=O)c1ccccc1C2=O ZINC000653808720 HG Annotated Clean COc1ccc(CNC(=O)c2cc3c(ccc4c(C)cc(=O)oc43)oc2=N)c(OC)c1 ZINC000653810135 HG Annotated Bother C=C1[C@@H](N(CCc2ccc(OC)cc2)C(=O)CCC(=O)O)CC(=O)N1c1ccccc1 ZINC000653816508 HG Annotated Mild C=C1[C@H](N(CCc2ccc(OC)cc2)C(=O)CCC(=O)O)CC(=O)N1c1ccccc1 ZINC000653816509 HG Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(CCCO[N+](=O)[O-])c4ccccc34)[C@H]21 ZINC000653819652 HG Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(CCCO[N+](=O)[O-])c4ccccc34)[C@@H]21 ZINC000653819655 HG Annotated Clean C=CC(=O)N1CCC[C@@H](Nc2ncnc(NCC)c2C(=O)c2ccc(OCC)cc2)C1 ZINC000653826086 HG Annotated Anodyne CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1cccc(O)c1O ZINC000653827683 HG Annotated Clean CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1ccc(O)c(O)c1 ZINC000653827723 HG Annotated Clean O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(I)cc1F ZINC000653827951 HG Annotated Anodyne CCc1ccccc1OCCN[C@@H](C)Cc1cc(C(N)=O)c2c(ccn2CCCO)c1 ZINC000653831399 HG Annotated Anodyne N=c1ccn(C[C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)c(O)n1 ZINC000653835460 HG Annotated Anodyne O=c1oc2ccc(I)cc2c(=O)n1-c1ccc(Cl)cc1F ZINC000653835875 HG Annotated Anodyne CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(=O)N(C)C)nc4)s3)[nH]nc21 ZINC000653836232 HG Annotated Clean CC1(c2cc(NC(=O)c3ccn4cc(Oc5ncnc6c5CNC6)ccc34)n[nH]2)CC1 ZINC000653837695 HG Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)C(c3cccc(Cl)c3)=N2)cn1 ZINC000653837912 HG Annotated Anodyne Cn1cc(S(=O)(=O)N2C[C@@H](c3ccc(F)cc3)C(c3cccc(Cl)c3)=N2)cn1 ZINC000653837913 HG Annotated Anodyne CCCn1c(=O)ccc2c(-c3nc(C(=O)N(C)C)c(-c4cccnc4)s3)[nH]nc21 ZINC000653840678 HG Annotated Anodyne O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCCC1 ZINC000653841678 HG Annotated Anodyne CCN(Cc1cc(=O)n2c(N3CCOCC3)c(C)sc2n1)c1ccc(F)cc1 ZINC000653842810 HG Annotated Anodyne Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1[C@@H]1C[C@H]1CO ZINC000653842812 HG Annotated Anodyne COc1ccc(CC(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc1 ZINC000653842816 HG Annotated Anodyne CCCCCCCCN=c1nc(N)c2ncn(Cc3ccc(OC)cc3)c2c(N)n1 ZINC000653842843 HG Annotated Mild CCCN(Cc1cc(=O)n2c(C(=O)NCC)c(C)sc2n1)c1ccc(F)cc1 ZINC000653845475 HG Annotated Anodyne CC1(C)NC(=O)c2ccc(-n3c(O)nc4ncccc43)cc2N1Cc1cccnc1 ZINC000653851020 HG Annotated Anodyne CNc1n[nH]c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 ZINC000653851667 HG Annotated Anodyne Cn1cc(-c2ccc(-c3cncc(F)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 ZINC000653852828 HG Annotated Anodyne CC(C)CS(=O)(=O)n1ccc2c(-c3ccccc3)cc(N3CCN(C)CC3)nc21 ZINC000653853291 HG Annotated Anodyne COc1cc(C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)ccc1O ZINC000653854041 HG Annotated Anodyne COc1cc(OC)cc(C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)c1 ZINC000653854042 HG Annotated Anodyne COCCOc1nc(-c2cccc(F)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 ZINC000653862706 HG Annotated Reactive CC1(C)O[C@H]2O[C@@H]3COB(c4ccc(/C=N/c5ccc(Cl)cc5)cc4)O[C@@H]3[C@H]2O1 ZINC000653866687 HG Annotated Mild COc1cccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)c1 ZINC000653871729 HG Annotated Reactive COc1ccc(-c2ccc(C(=O)N/N=C3\C(=O)N(C)c4ccccc43)c(C)n2)cc1 ZINC000653871782 HG Annotated Reactive CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2cc1C(=O)N(CC)CC ZINC000653876721 HG Annotated Clean COCCOc1nc(-c2ccc(F)c(F)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 ZINC000653880644 HG Annotated Reactive CO[C@@H](CO)Cn1ccc(Nc2cc(-c3ccccc3C)c(C)cc2OCCN)n1 ZINC000653885975 HG Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCc1nccn1Cc1ccc(C#N)cc1 ZINC000653887166 HG Annotated Mild O=C(/C=C/N1CCN(c2cccc(OCc3ccncc3)n2)CC1)c1ccccc1O ZINC000653887843 HG Annotated Mild CC1(C)O[C@H]2O[C@@H]3COB(c4cccc(/C=N/c5ccc(Cl)cc5)c4)O[C@@H]3[C@H]2O1 ZINC000653899281 HG Annotated Mild C[C@H](N=c1nc[nH]cc1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000653899352 HG Annotated Mild Cc1nc(-c2cccc([N+](=O)[O-])c2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653905723 HG Annotated Reactive Cc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653905738 HG Annotated Reactive Cc1nc(-c2ccccc2[N+](=O)[O-])ccc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21 ZINC000653905741 HG Annotated Reactive O=S(=O)(c1ccc(OC2CCCC2)c(F)c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653912847 HG Annotated Anodyne O=S(=O)(c1ccc(OC2CCCC2)c(F)c1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653912848 HG Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NOC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066065943 HG Annotated Mild C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(-c3ccc(-c4ccccc4)cc3)ccc2C1=O ZINC000066066209 HG Annotated Bother O=C(O)c1cc(CN2CCC(n3cnc4ccccc43)CC2)c2ccccn2c1=O ZINC000066073934 HG Annotated Anodyne O=C(O)c1cc(CN2CCc3cc(Br)ccc3C2)c2ccccn2c1=O ZINC000066076963 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1C ZINC000066080049 HG Annotated Anodyne CCN1C(NCCCOC(C)C)=N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@@H]1C ZINC000066080051 HG Annotated Anodyne C=C1CC[C@H](O)[C@]2(C)C[C@H](OC(C)=O)C3=C(C(C)C)[C@H](OC(C)=O)C[C@@]3(C)C[C@@]12O ZINC000066080272 HG Annotated Mild COC(=O)c1ccc2c(/C=C3\NC(=O)N=C3O)cn(Cc3ccc(C#N)cc3)c2c1 ZINC000066098836 HG Annotated Mild CSc1ccc(Cc2cn([C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3cccc(Cl)c23)cc1 ZINC000066099731 HG Annotated Anodyne COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@@H](C)CO ZINC000066101100 HG Annotated Anodyne COC(=O)[C@H](Cc1ccc2[nH]ccc2c1)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066102344 HG Annotated Anodyne CC(C)c1c(Cc2ccc(F)cc2)n(COCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000066103412 HG Annotated Anodyne C/C(=C\CC[C@@](C)(Cl)[C@H](O)Cc1c[nH]c([N+](=O)[O-])c1)CC[C@@H](O)C(C)(C)O ZINC000066104213 HG Annotated Bother CCOC(=O)O[C@H](C)[C@H]1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14 ZINC000066104702 HG Annotated Anodyne COC1=C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000066104890 HG Annotated Mild CN(C)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12 ZINC000066112125 HG Annotated Anodyne O=C1CCCN1Cc1c(F)cc(-n2nc(C(F)(F)F)c3c2CCOC3)cc1F ZINC000066112682 HG Annotated Anodyne CCON1CCN/C1=N\c1ccc(Nc2ccc(/N=C3\NCCN3OCC)cc2)cc1 ZINC000066112695 HG Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113665 HG Annotated Mild O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113668 HG Annotated Mild O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113670 HG Annotated Mild O=C1CCCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](NC(=O)c1ccccc1)C(=O)O2 ZINC000066113673 HG Annotated Mild CCN1C(C)=C(C(=O)OC)[C@@H](CCc2ccccc2)N/C1=N\CCc1cccnc1 ZINC000066128616 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@H](C)[C@H](c2ccccc2)CC1=O ZINC000066139890 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@H](C)[C@H](c2ccccc2)CC1=O ZINC000066139892 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000066139894 HG Annotated Mild COC1=C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2NC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000066139896 HG Annotated Mild CN1C(=O)[C@]2(SC[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)N32)c2ccccc21 ZINC000066251191 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cncc(-c3ccc(OC(F)F)cc3)c1)C2 ZINC000066251776 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)nc3)cc1)C2 ZINC000066251789 HG Annotated Bother CC(C)(C)N(CCC(=O)c1ccccc1)C(=O)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000066251844 HG Annotated Bother COc1ccc(/C=N/N(C(=O)c2cccnc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000066251905 HG Annotated Reactive CC(=O)Oc1ccc(CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)C(C)(C)C)cc1 ZINC000066252021 HG Annotated Bother CC(=O)Oc1ccccc1CN(C(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000066252022 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)nc1)C2 ZINC000066252281 HG Annotated Bother Cc1ccc2c(c1)[C@@]1(SC[C@H]3C(=O)N(Cc4ccc(Cl)cc4)C(=O)N31)C(=O)N2 ZINC000066252428 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)F)cn3)c1)C2 ZINC000066252502 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000066258592 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cc3)nn1)C2 ZINC000066258693 HG Annotated Bother COc1cc(OC)c([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000066258747 HG Annotated Anodyne COc1cc(OC)c([C@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000066258748 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(OC(F)F)cc3)n1)C2 ZINC000066258994 HG Annotated Bother CC(C)CN(NC(=O)c1cc(-c2cccs2)[nH]n1)c1nc(C#N)ncc1Cl ZINC000066259117 HG Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ncc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000066259148 HG Annotated Bother COc1cc([C@@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000066259187 HG Annotated Anodyne COc1cc([C@H]2CC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000066259188 HG Annotated Anodyne O=C(c1ccc(O)cc1O)n1c(-c2ccc(S(=O)(=O)O)cc2)nc2ccccc21 ZINC000066259280 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)nc1)C2 ZINC000066259372 HG Annotated Bother COc1ccc([C@H]2NC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc32)cc1 ZINC000066259377 HG Annotated Anodyne COc1ccc([C@@H]2NC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc32)cc1 ZINC000066259378 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnc(-c3ccc(C(F)(F)F)cc3)nc1)C2 ZINC000066259385 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)cn3)cn1)C2 ZINC000066259505 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000066259550 HG Annotated Bother COc1ncc(C#N)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 ZINC000066259908 HG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cc3)cn1)C2 ZINC000066261954 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cc(-c3ccc(OC(F)F)cc3)ccn1)C2 ZINC000066262537 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccnc(-c3ccc(OC(F)F)cc3)c1)C2 ZINC000066263125 HG Annotated Bother CC1(C)N2Cc3ccccc3C[C@H]2C(=O)N1[C@@H](Cc1ccc2[nH]ccc2c1)C(=O)O ZINC000066263455 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)F)cn3)cc1)C2 ZINC000066263480 HG Annotated Bother Cc1ccc(CN2CCN(Cc3c[nH]nc3-c3ccc4c(c3)OCO4)CC2=O)cc1C ZINC000067641107 HG Annotated Anodyne COCCOc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 ZINC000068105809 HG Annotated Anodyne Oc1cc(Br)c(/C=C/C(=S)NCc2cc(O)c(O)c(O)c2)cc1O ZINC000068152836 HG Annotated Clean N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnn3ccccc23)c(Cl)s1 ZINC000068198014 HG Annotated Anodyne in-vivo Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2cccc(C)n2)(C4)C3)n1 ZINC000068200047 HG Annotated Anodyne O=C(C[C@H]1CNC(=O)c2cc(-c3cccc(F)c3)cn21)N[C@H](CO)C1CCCCC1 ZINC000068204265 HG Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccc(Br)s3)nc12 ZINC000068206286 HG Annotated Anodyne COc1ccc2c(n1)[C@]1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000068244892 HG Annotated Anodyne COc1ccc2c(n1)[C@@]1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21 ZINC000068244893 HG Annotated Anodyne Cc1ccc([C@@H]2C[C@H](NC(=O)c3ccccc3)CN(C(=O)C3(N)CCC3)C2)cc1C ZINC000068246387 HG Annotated Anodyne COc1ccc(F)cc1-c1ccc(C[C@H](CC(=O)O)NC(=O)c2cc(O)no2)cc1 ZINC000068247603 HG Annotated Anodyne O=C(Cc1ccncc1)N1CCc2nc(-c3cc4cc(Cl)ccc4[nH]c3=O)[nH]c2C1 ZINC000068267329 HG Annotated Anodyne COc1nc(C(=O)N[C@H]2COc3ccc(Cl)c(F)c32)ccc1-n1cnc(C)c1 ZINC000068268111 HG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CSC(=S)N/N=C\c1ccccc1O)C2=O ZINC000068677047 HG Annotated Mild CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000069063422 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cncc(F)c3)c(OC[C@H]3CCOC3)nc2s1 ZINC000069063427 HG Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3ccc(C#N)nc3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000069063452 HG Annotated Mild CCNC(=O)Nc1nc2cc(-c3ccc(C#N)nc3)c(OC[C@H]3CCOC3)nc2s1 ZINC000069063457 HG Annotated Mild CCNC(=O)Nc1nc2cc(-c3cncc(C#N)c3)c(OC[C@@H]3CCOC3)nc2s1 ZINC000069063465 HG Annotated Mild CCNC(=O)Nc1nc2cc(-c3cncc(C#N)c3)c(OC[C@H]3CCOC3)nc2s1 ZINC000069063469 HG Annotated Mild CCN(CC)CCCNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000007005394 HG Annotated Anodyne CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000007005421 HG Annotated Anodyne CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 ZINC000007005424 HG Annotated Anodyne CCCCN(C1CCN(CC)CC1)S(=O)(=O)c1c(C)[nH]c(C)c1C(=O)OCC ZINC000007006865 HG Annotated Anodyne COc1ccc([C@@]2(C)NC(=O)N(/N=C/c3c(C)nn(-c4ccccc4)c3C)C2=O)cc1 ZINC000007063419 HG Annotated Mild COc1ccc([C@]2(C)NC(=O)N(/N=C/c3c(C)nn(-c4ccccc4)c3C)C2=O)cc1 ZINC000007063426 HG Annotated Mild COOc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2c(OC)c1OC ZINC000070451076 HG Annotated Reactive in-vitro biogenic COC(=O)C1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O)OC2=O)[C@]3(C(C)=O)CC1 ZINC000070455099 HG Annotated Anodyne in-vitro biogenic COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3c2NCN3C(C)C)cc1 ZINC000070719187 HG Annotated Anodyne COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3c2NCN3C(C)C)cc1 ZINC000070719190 HG Annotated Anodyne CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(C[C@@H](C)O)C[C@@H](C)O)nc21 ZINC000070719209 HG Annotated Anodyne CC(C)N1CNc2c(Nc3cccc(Cl)c3)nc(N(C[C@H](C)O)C[C@@H](C)O)nc21 ZINC000070719211 HG Annotated Anodyne C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071280934 HG Annotated Anodyne CC(C)(C)NC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071282024 HG Annotated Anodyne COC1=C(OC)Cc2c(cc[n+]3c(CCC(=O)O)c4cc(OC)c(OC)cc4cc23)C1 ZINC000071282478 HG Annotated Bother C#CC/N=c1\cc[nH]c2sc3c(=O)n(-c4ccc(Br)cc4)cnc3c12 ZINC000071294308 HG Annotated Mild NC1=N[C@H](c2ccc([N+](=O)[O-])cc2)NC(NCCc2ccc(Cl)c(Cl)c2)=N1 ZINC000071294702 HG Annotated Bother NC1=N[C@@H](c2ccc([N+](=O)[O-])cc2)NC(NCCc2ccc(Cl)c(Cl)c2)=N1 ZINC000071294703 HG Annotated Bother CC(C)CO[C@@H]1C=C([C@H](O)c2ccc(C#N)cc2)C(=O)[C@@H](COC(=O)C(C)(C)C)O1 ZINC000071295000 HG Annotated Mild C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 ZINC000071295587 HG Annotated Anodyne CC(C)COC(=O)Nc1ccc(NC(=S)NCc2nc(Cl)cnc2N)cc1 ZINC000071295744 HG Annotated Anodyne CCc1cnc(N)c(CNC(=S)Nc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000071295807 HG Annotated Anodyne N#Cc1ccccc1S(=O)(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071295837 HG Annotated Mild N#Cc1ccccc1S(=O)(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071295838 HG Annotated Mild O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1)c1cn[nH]c1N2 ZINC000071296091 HG Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1cn[nH]c1N2 ZINC000071296092 HG Annotated Anodyne Cc1cc(Cl)cc2c1NC(=O)/C2=N\N=C1/SCC(=O)N1c1ccc(O)cc1 ZINC000071296547 HG Annotated Mild O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[n+]([O-])c2cc(F)c(F)cc2[n+]1[O-] ZINC000071297047 HG Annotated Anodyne Cc1c(Cl)ccc2c1NC(=O)/C2=N\N=C1/SCC(=O)N1c1ccc(O)cc1 ZINC000071315992 HG Annotated Mild CS(=O)(=O)c1ccc([C@@]2(O)CCN(C(=O)c3ccccc3)[C@H]3CCCC[C@@H]32)cc1 ZINC000071316527 HG Annotated Anodyne N#Cc1cnc2ccc(-c3cncc(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12 ZINC000071316615 HG Annotated Mild NC(=O)c1ccc(N2CCN(C(=O)N3CC[C@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071316660 HG Annotated Anodyne NC(=O)c1ccc(N2CCN(C(=O)N3CC[C@@H](c4cn[nH]c4)C3)c3ccccc32)cc1 ZINC000071316661 HG Annotated Anodyne C[C@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071317111 HG Annotated Mild C[C@@H]1S/C(=N\N=C2/C(=O)Nc3ccc(Cl)cc32)N(c2ccc(O)cc2)C1=O ZINC000071317112 HG Annotated Mild COCCN(C)c1ncc(NC(=O)c2nc(-c3ccccc3)oc2C(F)(F)F)cn1 ZINC000071317247 HG Annotated Anodyne CC(C)c1c(Cc2ccccc2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071317569 HG Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C1=O ZINC000071317775 HG Annotated Anodyne CN(Cc1cn(Cc2ccc(F)cc2)c2cnc3c(c12)CCN(O)C3=O)CC1CC1 ZINC000071317901 HG Annotated Clean COn1c(=O)c(C(C)C)c(Cc2ccccc2)n(COCc2ccc(F)cc2)c1=O ZINC000071318044 HG Annotated Anodyne N#CCC1=NN=C(c2ccc([N+](=O)[O-])cc2)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071318098 HG Annotated Mild N#CCC1=NN=C(c2ccc([N+](=O)[O-])cc2)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000071318099 HG Annotated Mild COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccc2[nH]/c(=N/C(C)=O)[nH]c2c1 ZINC000071318116 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(C=O)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000071318606 HG Annotated Reactive CC(C)c1c(Cc2ccccc2)n(COCc2ccc(F)cc2F)c(=O)n(O)c1=O ZINC000071318799 HG Annotated Anodyne CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071318869 HG Annotated Mild CC1=C2OCCCCN3C(=O)[C@@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071318870 HG Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@@]2(C)SC1=O ZINC000071318871 HG Annotated Mild CC1=C2OCCCCN3C(=O)[C@](O)(c4cc(Br)ccc43)[C@]2(C)SC1=O ZINC000071318872 HG Annotated Mild O=C1Nc2c(Cl)ccc(Cl)c2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 ZINC000071318889 HG Annotated Mild COc1cc(C)c(Cl)cc1NC(=O)NCCc1ccc2[nH]/c(=N/C(C)=O)[nH]c2c1 ZINC000071330002 HG Annotated Anodyne O=C1Nc2c(Cl)cc(Cl)cc2/C1=N/N=C1\SCC(=O)N1c1ccc(O)cc1 ZINC000071330065 HG Annotated Mild O=c1cc(CNCc2ccccc2I)oc2ccc(O)c(O)c12 ZINC000071331820 HG Annotated Clean CC(C)(CCS(=O)(=O)CCCCCCCCS(=O)(=O)O)N(Cl)Cl ZINC000071332443 HG Annotated Anodyne O=C(NOCc1ccc2c(c1)OCO2)c1cc(Br)c(Br)[nH]1 ZINC000071332941 HG Annotated Anodyne CC(C)(C)OC(=O)NC[C@H](NO)c1c[nH]c2ccc(I)cc12 ZINC000071333514 HG Annotated Anodyne CC(C)(C)OC(=O)NC[C@@H](NO)c1c[nH]c2ccc(I)cc12 ZINC000071333517 HG Annotated Anodyne O=C(NOCc1ccc(Cl)nc1)c1cc(Br)c(Br)[nH]1 ZINC000071333787 HG Annotated Anodyne Cc1cc(C(F)(F)F)cc(N/C(O)=N/S(=O)(=O)c2cc(C)c(CCO)s2)n1 ZINC000071334871 HG Annotated Mild Clc1cccc(-n2nnnc2NCc2ccccc2N2CCOCC2)c1Cl ZINC000071340307 HG Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2cc3occc3cc2c1=O ZINC000071340492 HG Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2cc3occc3cc2c1=O ZINC000071340493 HG Annotated Anodyne O=c1cc(CNCc2ccc(I)cc2)oc2ccc(O)c(O)c12 ZINC000071340543 HG Annotated Clean O=c1cc(CNCc2cccc(I)c2)oc2ccc(O)c(O)c12 ZINC000071340669 HG Annotated Clean CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1coc2ccc(C)cc2c1=O ZINC000071340732 HG Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1coc2ccc(C)cc2c1=O ZINC000071340733 HG Annotated Anodyne O=S(=O)(Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12)c1ccccc1 ZINC000071340833 HG Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@@H]1c1coc2c(ccc3occc32)c1=O ZINC000071341009 HG Annotated Anodyne CCOC(=O)C1=C(C(F)(F)F)NC(=O)N[C@H]1c1coc2c(ccc3occc32)c1=O ZINC000071341010 HG Annotated Anodyne O=C(O)C[C@@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 ZINC000071341345 HG Annotated Clean O=C(O)C[C@H]1Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2-c2cc(O)c(O)cc21 ZINC000071341346 HG Annotated Clean CN(C)CCc1cn(CCCCCCCN2CC2)c2c1C(=O)c1ccncc1C2=O ZINC000071342010 HG Annotated Clean COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@H]2O)c1C ZINC000071404528 HG Annotated Anodyne in-man COc1cc(=O)oc(/C=C\C=C\C=C/C(C)=C/[C@]2(C)O[C@@H](C)[C@](C)(O)[C@@H]2O)c1C ZINC000071404529 HG Annotated Anodyne in-man COc1ccc(CS(=O)(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1[N+](=O)[O-] ZINC000071416551 HG Annotated Bother CC(=O)n1c(CCNC(=O)COc2ccc(Br)cc2)nc2ccccc21 ZINC000071749928 HG Annotated Anodyne C=C1C(=O)[C@]23O[C@@H]2[C@H]1CCC(=O)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@H]3OC ZINC000071786687 HG Annotated Mild in-vitro biogenic O=S1(=O)CCCN1C1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072100786 HG Annotated Anodyne O=S1(=O)CCCN1C1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 ZINC000072100787 HG Annotated Anodyne Cc1nocc1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102157 HG Annotated Mild Cc1nocc1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072102158 HG Annotated Mild Nc1nc(N2CCN([C@@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)no1 ZINC000072102344 HG Annotated Anodyne Nc1nc(N2CCN([C@H](c3cccnc3)c3ccc(C(F)(F)F)cc3F)CC2)no1 ZINC000072102345 HG Annotated Anodyne O=C(C1CC1)N1CCN([C@H](c2cncnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072103000 HG Annotated Anodyne O=C(C1CC1)N1CCN([C@@H](c2cncnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072103001 HG Annotated Anodyne N#Cc1ccc([C@H](c2cccnc2)N2CCC(NC(=O)c3nccs3)CC2)cc1 ZINC000072103304 HG Annotated Mild N#Cc1ccc([C@@H](c2cccnc2)N2CCC(NC(=O)c3nccs3)CC2)cc1 ZINC000072103305 HG Annotated Mild CS(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072103643 HG Annotated Anodyne CS(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072103644 HG Annotated Anodyne O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000072103863 HG Annotated Anodyne O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000072103865 HG Annotated Anodyne COc1cc(-c2nc(CN(CCC#N)C[C@@H]3CCCO3)co2)cc(OC)c1OC ZINC000072103878 HG Annotated Mild COc1cc(-c2nc(CN(CCC#N)C[C@H]3CCCO3)co2)cc(OC)c1OC ZINC000072103879 HG Annotated Mild C[C@@H](CC(=O)O)N1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O ZINC000072104589 HG Annotated Anodyne C[C@H](CC(=O)O)N1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O ZINC000072104590 HG Annotated Anodyne O=C(O)CCCN1Cc2ccc(NC(=O)c3ccc(C4CCNCC4)cc3)cc2C1=O ZINC000072106252 HG Annotated Anodyne CN(c1cc2ncc(=O)[nH]c2cc1NC(=N)NCc1ccccn1)C1CCCCC1 ZINC000072106837 HG Annotated Anodyne CCCCCCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107251 HG Annotated Mild CC(=O)Nc1cccc(Nc2ncnc(N3CCC(O)(c4ccccc4)CC3)n2)c1 ZINC000072107987 HG Annotated Anodyne CCN(CC)S(=O)(=O)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1 ZINC000072108565 HG Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CCO)CN1C3 ZINC000072108679 HG Annotated Bother NCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1 ZINC000072109790 HG Annotated Anodyne COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(N(C)C)CN1C3 ZINC000072111342 HG Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCN(CCO)CN1C3 ZINC000072111484 HG Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCN(CCO)CN1C3 ZINC000072112301 HG Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CN(CCO)CCN1C3 ZINC000072112483 HG Annotated Bother COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CN(N(C)C)CN1C3 ZINC000072112665 HG Annotated Bother COc1ccc(CN2c3nccc[n+]3C[C@@]2(O)c2ccc(Br)cc2)cc1 ZINC000072113187 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 ZINC000072113857 HG Annotated Anodyne O=S(=O)(c1ccccc1-c1ccc(CNC2CCOCC2)cc1)N1CCCC1 ZINC000072114831 HG Annotated Anodyne CC1(CNCc2ccc(-c3ccccc3S(=O)(=O)N3CCCC3)cc2)COC1 ZINC000072116219 HG Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCCC1)c1ccc(Br)cn21 ZINC000072116799 HG Annotated Clean CCOC(=O)/N=C(\NC1=NC(=O)CN1C(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072118187 HG Annotated Mild CC(C)N/C(=N\C(=O)C(C)(C)C)NC1=NC(=O)CN1c1ccc(Cl)c(Cl)c1 ZINC000072118315 HG Annotated Mild Cc1c(C(=O)N/N=C/c2ccc(Br)s2)nnn1Nc1ccc(F)cc1 ZINC000072118512 HG Annotated Reactive CN1CC(=O)N=C1N/C(=N\C(=O)OC(C)(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000072118898 HG Annotated Mild CCCNC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072119637 HG Annotated Clean Cc1c(Nc2csc(NC(=O)CCl)c2C#N)c(=O)n(-c2ccccc2)n1C ZINC000072120444 HG Annotated Reactive Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2cnnc2)cc1 ZINC000072122652 HG Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cn1 ZINC000072122904 HG Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)nc3)nc1)C2 ZINC000072122924 HG Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnn2)cc1 ZINC000072122939 HG Annotated Clean Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)nc1 ZINC000072123007 HG Annotated Clean O=C1C(=O)N(CCCN=C=S)c2c(Br)cc(Br)cc21 ZINC000072123354 HG Annotated Reactive Cc1nc(NC(C2CC2)C2CC2)c2nc(C)n(-c3ccc(S(C)(=O)=O)cc3)c2n1 ZINC000072123444 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCCC#Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000072124294 HG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)cc3)ncn1)C2 ZINC000072124302 HG Annotated Bother Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)o1 ZINC000072124347 HG Annotated Clean O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cc(-c3ccc(C(F)(F)F)nc3)ccn1)C2 ZINC000072124383 HG Annotated Bother COCC(=O)N[C@H]1CC[C@@H](C(=O)N(C)c2ccc(-c3nc4ccccc4o3)cc2)C1 ZINC000072124402 HG Annotated Anodyne Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1cnc(-n2ccnc2)s1 ZINC000072124442 HG Annotated Clean Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 ZINC000072124467 HG Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2c1 ZINC000072124468 HG Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000072124482 HG Annotated Reactive Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1 ZINC000072124483 HG Annotated Reactive O=C1c2cc3c(cc2OCN1CC(F)(F)c1cccc(F)c1)C(=O)N1CCC[C@H]1O3 ZINC000072124706 HG Annotated Anodyne O=C1c2cc3c(cc2OCN1CC(F)(F)c1cccc(F)c1)C(=O)N1CCC[C@@H]1O3 ZINC000072124707 HG Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(CN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125001 HG Annotated Anodyne C[C@H](c1ccccc1)N1CCN(CN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125002 HG Annotated Anodyne C[C@@H](c1ccccc1)N1CCN(CN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125003 HG Annotated Anodyne C[C@H](c1ccccc1)N1CCN(CN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125004 HG Annotated Anodyne NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c1[nH]c1cc(-c3cnc(N)cn3)ccc12 ZINC000072125117 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccnc(-c3ccc(C(F)(F)F)nc3)c1)C2 ZINC000072125227 HG Annotated Bother COCCN1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 ZINC000072125798 HG Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ccc(-c3ccc(C(F)(F)F)nc3)cn1)C2 ZINC000072125836 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(OCc3ccccc3)cc1)C2 ZINC000072125875 HG Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(C(F)(F)F)nc3)n1)C2 ZINC000072125884 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1cccc(-c3ccc(OC(F)F)cc3)n1)C2 ZINC000072125885 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](Oc1ncc(-c3ccc(C(F)(F)F)cc3)cn1)C2 ZINC000072125889 HG Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ccc(OCc3ccccc3)cc1)C2 ZINC000072126001 HG Annotated Bother N#CSCCCN1C(=O)C(=O)c2cc(Br)cc(Br)c21 ZINC000072126140 HG Annotated Reactive CC1=C(c2nnc(/N=C3\C(=O)Nc4ccccc43)s2)[C@H](c2ccccc2)NC(=O)N1 ZINC000072126231 HG Annotated Mild CC1=C(c2nnc(/N=C3\C(=O)Nc4ccccc43)s2)[C@@H](c2ccccc2)NC(=O)N1 ZINC000072126232 HG Annotated Mild C[C@@H](NCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127550 HG Annotated Anodyne Cc1cc(C)cc(C(=O)c2cc(Cl)ccc2OCCn2c(C)cc(=O)[nH]c2=O)c1 ZINC000072127589 HG Annotated Anodyne CC[C@H](Cc1cccc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127805 HG Annotated Anodyne CC[C@H](Cc1cccc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127806 HG Annotated Anodyne C#C[C@H](Cc1cc(F)cc(F)c1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127877 HG Annotated Mild C#C[C@H](Cc1cc(F)cc(F)c1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127878 HG Annotated Mild CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccc(C)cc1 ZINC000072136560 HG Annotated Bother CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccc(C)cc1 ZINC000072136561 HG Annotated Bother COc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072137577 HG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2C(=O)c2cccs2)cc1 ZINC000072137579 HG Annotated Anodyne COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(-c3ccccc3)nn1)CC2 ZINC000072137616 HG Annotated Anodyne O=C(NCc1ccccc1)c1nc[nH]c1C(=O)Nc1cc(Br)ccc1F ZINC000072137735 HG Annotated Anodyne COc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072138348 HG Annotated Anodyne COc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2C(=O)c2cccs2)cc1 ZINC000072138350 HG Annotated Anodyne CCOC(=O)C1=CC[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000072139349 HG Annotated Bother CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000072139350 HG Annotated Bother C=CCN1C[C@@H](COC(=O)c2ccc(C)c(C)c2)Oc2cccc(F)c2S1(=O)=O ZINC000072139449 HG Annotated Mild C=CCN1C[C@H](COC(=O)c2ccc(C)c(C)c2)Oc2cccc(F)c2S1(=O)=O ZINC000072139450 HG Annotated Mild CC(C)(C)OC(=O)c1cnc2ccn(S(=O)(=O)c3ccccc3[N+](=O)[O-])c2c1 ZINC000072139952 HG Annotated Bother CC(C)NC(=O)c1c2c(n3cc(Br)ccc13)C(=O)c1ncccc1C2=O ZINC000072141424 HG Annotated Clean CCN(CC)CCNc1nc2ccc([N+](=O)[O-])cc2nc1NCCN(CC)CC ZINC000072141428 HG Annotated Bother N#Cc1ccc([C@H](c2cccnc2)N2CCC(NC(=O)c3cscn3)CC2)cc1 ZINC000072142351 HG Annotated Mild N#Cc1ccc([C@@H](c2cccnc2)N2CCC(NC(=O)c3cscn3)CC2)cc1 ZINC000072142352 HG Annotated Mild CS(=O)(=O)NC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072142691 HG Annotated Anodyne CS(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 ZINC000072142692 HG Annotated Anodyne CC(C)NC(=O)COc1ccc(-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000072175567 HG Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)[C@@H]1CCCO1)C2=O ZINC000072176255 HG Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)[C@H]1CCCO1)C2=O ZINC000072176256 HG Annotated Mild C=C(CCC(=O)Oc1ccccc1C(=O)OC)C(=O)Oc1ccccc1C(=O)OC ZINC000072176314 HG Annotated Mild COc1ccc(OC)c2c1C(=O)C=C([C@@H](CC=C(C)C)OC(=O)CC(C)(C)O)C2=O ZINC000072176461 HG Annotated Mild O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F ZINC000072177253 HG Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccc(Cl)cc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177864 HG Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccccc2Cl)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177888 HG Annotated Mild CCOC(=O)c1ccc(/N=N/N(C)C(=O)OCOC(=O)c2ccccc2O)cc1 ZINC000072177953 HG Annotated Reactive COc1cc(C(=O)c2coc3c2C(=O)C(=O)C(Cl)=C3Cl)cc(OC)c1OC ZINC000072178485 HG Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc(C#N)cc2)c(=O)c2ccc(C)nc21 ZINC000072178597 HG Annotated Mild COc1cc(Cl)c2c(c1Cl)/C(=N/NC(=O)[C@@H](C)c1ccc(O)cc1)C(=O)N2 ZINC000072178728 HG Annotated Reactive COc1cc(Cl)c2c(c1Cl)/C(=N/NC(=O)[C@H](C)c1ccc(O)cc1)C(=O)N2 ZINC000072178729 HG Annotated Reactive CC(C)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072178895 HG Annotated Bother CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1 ZINC000072179110 HG Annotated Anodyne CC[C@@H](CO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072179250 HG Annotated Mild CC[C@H](CO[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O)OC(C)=O ZINC000072179251 HG Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc(OC)cc2)c(=O)c2ccc(C)nc21 ZINC000072179530 HG Annotated Mild CCn1cc(-c2nnc(S)n2/N=C/c2ccc(C)cc2)c(=O)c2ccc(C)nc21 ZINC000072179617 HG Annotated Mild CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072179630 HG Annotated Anodyne NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(Cl)cc2)S1 ZINC000072179863 HG Annotated Anodyne NS(=O)(=O)C1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(Cl)cc2)S1 ZINC000072179864 HG Annotated Anodyne CCn1cc(-c2nnc(S)n2/N=C/c2ccc(F)cc2)c(=O)c2ccc(C)nc21 ZINC000072180370 HG Annotated Mild CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F ZINC000072180451 HG Annotated Anodyne C[C@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2c(c1)OCO2 ZINC000072180606 HG Annotated Reactive C[C@@H](C(=O)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc2c(c1)OCO2 ZINC000072180607 HG Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(CC)c3c2)c1F ZINC000072180707 HG Annotated Anodyne O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CC2CC2)c1F ZINC000072181312 HG Annotated Anodyne CC[C@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181407 HG Annotated Mild CC[C@@](C)(O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181408 HG Annotated Mild CCCN(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072181623 HG Annotated Bother CCC[C@H](O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181667 HG Annotated Mild CCC[C@@H](O)CC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072181668 HG Annotated Mild CC(C)=CC[C@@H](OC(=O)[C@@H]1CCCCO1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182065 HG Annotated Mild CC(C)=CC[C@@H](OC(=O)[C@H]1CCCCO1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182066 HG Annotated Mild O=C(O)CCC[C@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]23 ZINC000072182396 HG Annotated Bother CC(C)=CC[C@@H](OC(=O)C[C@@](C)(O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182401 HG Annotated Mild CC(C)=CC[C@@H](OC(=O)C[C@](C)(O)C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072182402 HG Annotated Mild COc1ccc(C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cc1 ZINC000072182764 HG Annotated Anodyne CCOC(=O)C1CCN(Cc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)CC1 ZINC000072183077 HG Annotated Anodyne CC(C)=CC[C@@H](OC(=O)[C@@H]1CCCOC1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072183171 HG Annotated Mild CC(C)=CC[C@@H](OC(=O)[C@H]1CCCOC1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000072183172 HG Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@@H]2CCCC(=O)O)cc1 ZINC000072183700 HG Annotated Anodyne CCOC(=O)[C@@H]1CCCN(Cc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)C1 ZINC000072184554 HG Annotated Anodyne CCOC(=O)[C@H]1CCCN(Cc2coc(-c3cc(OC)c(OC)c(OC)c3)n2)C1 ZINC000072184555 HG Annotated Anodyne Cc1noc(N2CCN([C@@H](c3ccc(C(F)(F)F)cc3)c3cncnc3)CC2)n1 ZINC000072185159 HG Annotated Anodyne Cc1noc(N2CCN([C@H](c3ccc(C(F)(F)F)cc3)c3cncnc3)CC2)n1 ZINC000072185160 HG Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072185327 HG Annotated Anodyne CC(C)(C)NC(=O)N1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1 ZINC000072185328 HG Annotated Anodyne Cc1noc(N2CCN([C@H](c3cncnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 ZINC000072185355 HG Annotated Anodyne Cc1noc(N2CCN([C@@H](c3cncnc3)c3ccc(C(F)(F)F)cc3F)CC2)n1 ZINC000072185356 HG Annotated Anodyne Cc1nc(C(=O)NC2CCN([C@@H](c3ccc(C#N)cc3)c3cccnc3)CC2)co1 ZINC000072185477 HG Annotated Mild Cc1nc(C(=O)NC2CCN([C@H](c3ccc(C#N)cc3)c3cccnc3)CC2)co1 ZINC000072185478 HG Annotated Mild Cc1n[nH]c(C)c1C(=O)NC1CCN([C@@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072185528 HG Annotated Mild Cc1n[nH]c(C)c1C(=O)NC1CCN([C@H](c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000072185529 HG Annotated Mild O/N=C(\NCCN1CCOCC1)c1ccc(Oc2cc(Cl)ccc2Cl)nc1 ZINC000072185890 HG Annotated Mild COc1cc(NCC2CCNCC2)nc2c1nnn2-c1cccc(OC(F)(F)F)c1 ZINC000072316407 HG Annotated Anodyne Cc1nc(C)c(C2CC2)nc1-c1cc2nc(N3CCCC3)cc(NCC(C)(C)O)n2n1 ZINC000072316496 HG Annotated Anodyne COc1ccc(S(=O)(=O)Cc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1OC ZINC000072317056 HG Annotated Anodyne CNC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000072317631 HG Annotated Anodyne CCc1cc(C(F)(F)F)cc(OC)c1C(=O)N[C@@H]1COCC[C@H]1N1CCCC1 ZINC000072318442 HG Annotated Anodyne Cc1nc(-c2ccc(N3CCN(C)CC3)cc2)nc2c1CCN2CCCN1CCCC1 ZINC000072318822 HG Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1ccc(F)c(F)c1F ZINC000072322873 HG Annotated Mild O=C(c1ccco1)N1CCN(C(=O)c2cn(Cc3ccccc3)c3ncccc23)CC1 ZINC000072323245 HG Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)Nc3ccc(Br)cc3)cc2n1C ZINC000072323421 HG Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)Nc3ccc(Br)cc3F)cc2n1C ZINC000072323429 HG Annotated Anodyne CNCCNC(=O)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1 ZINC000073129297 HG Annotated Anodyne COc1ccc(/C=N/NC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)c(F)c1 ZINC000073138947 HG Annotated Reactive O=C(N/N=C/c1ccc2c(c1)CCO2)c1c[nH]c2c(C(F)(F)F)cccc2c1=O ZINC000073139105 HG Annotated Reactive COc1ccc(NC(=O)NNC(=O)c2c[nH]c3c(C(F)(F)F)cccc3c2=O)cc1 ZINC000073139259 HG Annotated Reactive Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 ZINC000073158547 HG Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(Cl)c(F)c1 ZINC000073158611 HG Annotated Reactive CCOC(=O)CN1C(=O)[C@@H](OC)[C@H]1C(CC)(CC)SSC(C=O)(CC)CC ZINC000073162416 HG Annotated Reactive CCOC(=O)CN1C(=O)[C@@H](OC)[C@@H]1C(CC)(CC)SSC(C=O)(CC)CC ZINC000073162420 HG Annotated Reactive CCOC(=O)CN1C(=O)[C@H](OC)[C@H]1C(CC)(CC)SSC(C=O)(CC)CC ZINC000073162423 HG Annotated Reactive CCOC(=O)CN1C(=O)[C@H](OC)[C@@H]1C(CC)(CC)SSC(C=O)(CC)CC ZINC000073162426 HG Annotated Reactive CCC(C=O)(CC)SSC(CC)(CC)[C@@H]1[C@H](OC)C(=O)N1CC(=O)OC ZINC000073162430 HG Annotated Reactive CCC(C=O)(CC)SSC(CC)(CC)[C@H]1[C@H](OC)C(=O)N1CC(=O)OC ZINC000073162432 HG Annotated Reactive CCC(C=O)(CC)SSC(CC)(CC)[C@@H]1[C@@H](OC)C(=O)N1CC(=O)OC ZINC000073162434 HG Annotated Reactive CCC(C=O)(CC)SSC(CC)(CC)[C@H]1[C@@H](OC)C(=O)N1CC(=O)OC ZINC000073162437 HG Annotated Reactive NC(=O)[C@@H](CCC(F)(F)F)N(CC1CCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073162636 HG Annotated Anodyne COC1=C[C@@]2(Oc3ccc(-c4ccc(OC)c(OC)c4)cc3C2=O)C(OC)=C[C@H]1O ZINC000073164813 HG Annotated Anodyne COC1=C[C@]2(Oc3ccc(-c4ccc(OC)c(OC)c4)cc3C2=O)C(OC)=C[C@H]1O ZINC000073164817 HG Annotated Anodyne COC1=C[C@@]2(Oc3ccc(-c4ccc(OC)c(OC)c4)cc3C2=O)C(OC)=C[C@@H]1O ZINC000073164819 HG Annotated Anodyne COC1=C[C@]2(Oc3ccc(-c4ccc(OC)c(OC)c4)cc3C2=O)C(OC)=C[C@@H]1O ZINC000073164822 HG Annotated Anodyne O=C(/N=C/c1ccc(O)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCCCC1 ZINC000073169077 HG Annotated Mild COC(=O)c1ccc2c(c1)S(=O)(=O)N=[S@]2c1ccc(Br)cc1 ZINC000073195953 HG Annotated Anodyne COC(=O)c1ccc2c(c1)S(=O)(=O)N=[S@@]2c1ccc(Br)cc1 ZINC000073195954 HG Annotated Anodyne COc1cc2c(C(=O)O)cnc(C(=O)c3c(F)ccc(OC)c3F)c2cc1OC ZINC000073196252 HG Annotated Anodyne Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3C[C@H]3Cc4cc(O)c(O)cc4[N+]31CC2 ZINC000073196278 HG Annotated Clean N#C/C=C/c1cc(F)cc(Oc2ccc(F)cc2OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073196331 HG Annotated Reactive N#Cc1cc(F)c(Oc2ccccc2Cl)c(OCCn2ccc(=O)[nH]c2=O)c1 ZINC000073196333 HG Annotated Mild O=C(NCc1ccc(-c2ccc(F)cc2)cc1)O[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000073197170 HG Annotated Bother COC(=O)c1ccccc1CN(C#N)C(=O)c1ncn(Cc2ccc(F)cc2)c1C ZINC000073197260 HG Annotated Anodyne O=C(CCl)Nc1ccc2c(c1NC(=O)c1ccco1)C(=O)c1ccccc1C2=O ZINC000073197268 HG Annotated Reactive COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 ZINC000073197515 HG Annotated Anodyne CC(C)n1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 ZINC000073221634 HG Annotated Anodyne CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2cc(Cl)ccc21 ZINC000073222314 HG Annotated Anodyne CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccc(Cl)cc21 ZINC000073222316 HG Annotated Anodyne COc1ccc(Nc2nnc(CNc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1 ZINC000073222380 HG Annotated Anodyne O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 ZINC000073224233 HG Annotated Anodyne O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 ZINC000073224234 HG Annotated Anodyne COc1ccc2cc(C(=O)N3C[C@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224520 HG Annotated Anodyne COc1ccc2cc(C(=O)N3C[C@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224521 HG Annotated Anodyne C[C@H]1COc2c(NCCCc3ccccc3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000073224572 HG Annotated Anodyne N#Cc1ccc2cc(C(=O)N3C[C@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224769 HG Annotated Mild N#Cc1ccc2cc(C(=O)N3C[C@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224770 HG Annotated Mild O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@]2(CCN([C@@H]3CCNC3)C2)c2ccccc21 ZINC000073224773 HG Annotated Anodyne O=C(c1cc2ccc(F)cc2[nH]1)N1C[C@]2(CCN([C@H]3CCNC3)C2)c2ccccc21 ZINC000073224774 HG Annotated Anodyne O=C([C@@H]1CNC[C@H]1c1ccccc1Br)N1CCOC[C@@H]1c1ccccc1 ZINC000073224900 HG Annotated Anodyne COc1ccc2cc(C(=O)N3C[C@@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224981 HG Annotated Anodyne COc1ccc2cc(C(=O)N3C[C@@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073224982 HG Annotated Anodyne O=S1(=O)CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 ZINC000073225008 HG Annotated Anodyne N#Cc1ccc2cc(C(=O)N3C[C@@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073240321 HG Annotated Mild N#Cc1ccc2cc(C(=O)N3C[C@@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 ZINC000073240324 HG Annotated Mild COC(=O)[C@](C)(Cc1ccccc1)NC(=O)[C@@H](C)N1[C@@H](c2ccccc2)COC1(C)C ZINC000073273587 HG Annotated Anodyne CCCCC(=O)Oc1c(OC)ccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1C=C(OC)C(=O)C3 ZINC000073277256 HG Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccccc4F)nn3)s2)o1 ZINC000073278913 HG Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(NCc3cn(Cc4ccc(F)cc4)nn3)s2)o1 ZINC000073278916 HG Annotated Bother C[C@@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000073295588 HG Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 ZINC000073295590 HG Annotated Anodyne O=C(c1nn2ccccc2c1Cl)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073297090 HG Annotated Anodyne COc1ccc([C@]23CCN4COC[C@@H]([C@H]42)C2(CC3)OCC(C)(C)CO2)cc1OC ZINC000073297454 HG Annotated Anodyne C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310780 HG Annotated Anodyne C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000073310782 HG Annotated Anodyne O=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1 ZINC000073311339 HG Annotated Anodyne c1cn2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cnc2cn1 ZINC000073313017 HG Annotated Anodyne C=C(C(=O)OCCCCN1CCN(C)CC1)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1 ZINC000073315616 HG Annotated Mild O=C(c1ccco1)N1CCN(C(=O)c2nc(C(F)(F)F)[nH]c2-c2ccccc2)CC1 ZINC000073333295 HG Annotated Anodyne O=[n+]1c2cc(CBr)c(CBr)cc2n(O)c2cccc(O)c21 ZINC000073351218 HG Annotated Anodyne CCCCC[C@@H](/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1N1CCOCC1)O[C@H]1CCCO1 ZINC000073351310 HG Annotated Anodyne C[C@]1(S(=O)(=O)c2ccccc2)C[C@H]2N(Cc3ccccc3)[C@@H]1CCC21OCCO1 ZINC000073351385 HG Annotated Anodyne O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1[C@H]1CCOc2c(F)cccc21 ZINC000073370468 HG Annotated Anodyne N#CCCc1nc2ccc(Br)cc2c(=O)n1-c1ccc(O)c([N+](=O)[O-])c1 ZINC000073386599 HG Annotated Mild Cc1ccc(NS(=O)(=O)c2cc3c(cc2N[C@@H](C)CO)NC(=O)CC3)cc1Cl ZINC000073389146 HG Annotated Anodyne O=C1OC(=O)[C@H]2[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C=C(c1ccco1)N2c1ccncc1 ZINC000073390819 HG Annotated Reactive O=C1OC(=O)[C@H]2[C@@H]1N(c1ccncc1)C(c1ccco1)=C[C@H]2c1ccccc1[N+](=O)[O-] ZINC000073392513 HG Annotated Reactive O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3[N+](=O)[O-])C=C(c3ccco3)N(c3ccncc3)[C@H]12 ZINC000073392515 HG Annotated Reactive O=C(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073407719 HG Annotated Reactive COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1cccc(Cl)c1Cl ZINC000007551172 HG Annotated Anodyne COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1cccc(Cl)c1Cl ZINC000007551173 HG Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000007989944 HG Annotated Anodyne CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000007989945 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000007991759 HG Annotated Anodyne Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n(CC(C)(C)CN(C)C)c2n1 ZINC000007991831 HG Annotated Anodyne CCN1CCC[C@@H]1Cn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000007991861 HG Annotated Anodyne CCN1CCC[C@H]1Cn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000007991862 HG Annotated Anodyne CCN(CC)CCCn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21 ZINC000007991871 HG Annotated Anodyne CCCn1c(C)nc2c(N(CCN(CC)CC)CCN(CC)CC)nc(C)nc21 ZINC000007991907 HG Annotated Anodyne CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@H]1OC(=O)OCC ZINC000007992553 HG Annotated Mild CCOC(=O)OC[C@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(=O)OCC ZINC000007992554 HG Annotated Mild CCOC(=O)OC[C@@H]1O[C@@H](C#Cc2ccc(F)cc2F)C=C[C@@H]1OC(=O)OCC ZINC000007992555 HG Annotated Mild CC1=C(C(=O)OCc2ccccc2)[C@H](C2CC2)NC(=O)N1CCCCCC(=O)O ZINC000007992694 HG Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](C2CC2)NC(=O)N1CCCCCC(=O)O ZINC000007992695 HG Annotated Anodyne COC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000007992819 HG Annotated Clean COC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000007992823 HG Annotated Clean CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000007998165 HG Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@@H]1C ZINC000007998197 HG Annotated Anodyne C/C(CCN1CCCc2nc(C)c(C)cc21)=N\OC[C@@H](O)COCc1ccco1 ZINC000007998365 HG Annotated Mild CC(C)[C@@H](OCc1ccccc1)[C@H](C)/C=N\O[C@@H](C)c1cn([C@@H]2COC[C@@H]2O)nn1 ZINC000007998400 HG Annotated Mild O=C1C=C[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3cccc(Oc4ccccc4)c3)C(=O)[C@H]12 ZINC000007998761 HG Annotated Mild CC(C)[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2[C@@H](C)CCC[C@H]2C)C1=O ZINC000007999792 HG Annotated Anodyne O=C(CCn1ccc2ccccc21)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000008139324 HG Annotated Anodyne COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)O)S3)cc1 ZINC000008394148 HG Annotated Anodyne COc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](CC(=O)O)S3)cc1 ZINC000008394149 HG Annotated Anodyne COc1ccc([C@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000008462398 HG Annotated Mild CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O ZINC000008466467 HG Annotated Anodyne CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cc2ccc(C)cc2[nH]c1=O ZINC000008466469 HG Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051168 HG Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051169 HG Annotated Mild CC1=C2[C@H]3OC(=O)[C@@H](CN(C)[C@H](C)[C@@H](O)c4ccccc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051170 HG Annotated Mild CC1=C2[C@H]3OC(=O)[C@H](CN(C)[C@H](C)[C@@H](O)c4ccccc4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000082051171 HG Annotated Mild COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1OC ZINC000082051392 HG Annotated Anodyne COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1OC ZINC000082051394 HG Annotated Anodyne COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1OC ZINC000082051396 HG Annotated Anodyne COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1OC ZINC000082051398 HG Annotated Anodyne C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3[C@H]3O[C@]132 ZINC000082052979 HG Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2ccnn2C(N)=C1C#N ZINC000082053102 HG Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2ccnn2C(N)=C1C#N ZINC000082053104 HG Annotated Reactive COc1cc([C@H]2C(C#N)=C(C)NC3=C2S(=O)(=O)c2ccccc23)cc(OC)c1OC ZINC000082055789 HG Annotated Reactive COc1cc([C@@H]2C(C#N)=C(C)NC3=C2S(=O)(=O)c2ccccc23)cc(OC)c1OC ZINC000082055790 HG Annotated Reactive COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(C)CCO)n2)cc1 ZINC000082065849 HG Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)CCO)n2)cc1 ZINC000082066407 HG Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)CCO)n2)cc1 ZINC000082066408 HG Annotated Anodyne COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(C)CCO)n2)cc1 ZINC000082066547 HG Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(C)CCO)n2)cc1 ZINC000082066548 HG Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066842 HG Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N3CCC(C)CC3)n2)cc1 ZINC000082066856 HG Annotated Anodyne COc1cc(OC)cc(Oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ncn2)c1 ZINC000082068282 HG Annotated Anodyne COc1cccc(CNc2cncc(Oc3ccc(-n4cncn4)cc3)n2)c1OC ZINC000082068594 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3N)C2)co1 ZINC000082069352 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3N)C2)co1 ZINC000082069353 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)OCC(C)(C)N(C)C)C3)co2)cc1 ZINC000082069606 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C3)co2)cc1 ZINC000082069607 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCC(C)(C)N(C)C)C2)co1 ZINC000082069630 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCC(C)(C)N(C)C)C2)co1 ZINC000082069631 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCCCN(C)C)C2)co1 ZINC000082069632 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCCCN(C)C)C2)co1 ZINC000082069633 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)N4CCCNCC4)cc3)co2)cc1 ZINC000082069800 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)N3CCCNCC3)cc2)co1 ZINC000082069813 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCc3ccc(C(=O)OCCN(C)C)cc3)co2)cc1 ZINC000082069876 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCN(C)C)cc2)co1 ZINC000082069889 HG Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2csc(CC)n2)cc1 ZINC000082069906 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)NCc3ccccc3N)C(C)C)co2)cc1 ZINC000082069967 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)NCc3ccccc3N)C(C)C)co2)cc1 ZINC000082069968 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCc2ccccc2N)C(C)C)co1 ZINC000082069992 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCc2ccccc2N)C(C)C)co1 ZINC000082069993 HG Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070182 HG Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1csc(CC)n1)C(C)C ZINC000082070183 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)co2)cc1 ZINC000082070302 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)co2)cc1 ZINC000082070303 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)co2)cc1 ZINC000082070304 HG Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)co2)cc1 ZINC000082070305 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C ZINC000082070306 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1coc(-c2ccc(C)cc2)n1)C(C)C ZINC000082070307 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCC(C)(C)N(C)C)C(C)C)co1 ZINC000082070326 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCC(C)(C)N(C)C)C(C)C)co1 ZINC000082070327 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCCCN(C)C)C(C)C)co1 ZINC000082070329 HG Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCCCN(C)C)C(C)C)co1 ZINC000082070330 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C(=O)OCCN(C)C)C(C)C)cs1 ZINC000082070399 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)OCCN(C)C)C(C)C)cs1 ZINC000082070400 HG Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082070474 HG Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082070475 HG Annotated Anodyne COc1cccc(CNC(=O)[C@H](C)NC(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082070501 HG Annotated Anodyne COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082070502 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2N)cs1 ZINC000082070558 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)NCc2ccccc2N)cs1 ZINC000082070559 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082070913 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000082070914 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCCCN(C)C)cs1 ZINC000082070915 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCCCN(C)C)cs1 ZINC000082070917 HG Annotated Anodyne CCCCOCCCNC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072037 HG Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1coc(-c2ccccc2C)n1 ZINC000082072128 HG Annotated Anodyne CCCCOCCOC(=O)CNC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082072395 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCc2ccccn2)cs1 ZINC000082072397 HG Annotated Anodyne NC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073200 HG Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073201 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082073408 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082073410 HG Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000082073714 HG Annotated Anodyne COc1cccc(CNC(=O)CN(C)C(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000082073739 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCC(C)(C)N(C)C)cs1 ZINC000082074108 HG Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCCCN(C)C)cs1 ZINC000082074111 HG Annotated Anodyne CCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081428 HG Annotated Bother CCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081429 HG Annotated Bother CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081572 HG Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081573 HG Annotated Anodyne CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081574 HG Annotated Anodyne CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081575 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081576 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081577 HG Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081620 HG Annotated Anodyne CN(C)CCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081621 HG Annotated Anodyne COc1cccc(-c2nc3c(Nc4cccc(S(C)(=O)=O)c4)nccc3[nH]2)c1F ZINC000082081951 HG Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082109 HG Annotated Anodyne CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082111 HG Annotated Anodyne COCC/N=C(\O)c1cccc(-c2nc3c(NC4CCC(O)CC4)nccc3[nH]2)c1 ZINC000082082175 HG Annotated Mild COc1cc(-c2nc3ccc(/N=C(\O)c4cccnc4)cn3n2)cc(OC)c1OC ZINC000082082183 HG Annotated Mild CCCCNC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082082244 HG Annotated Bother CCCCNC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082082246 HG Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCCC1 ZINC000082082258 HG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCCC1 ZINC000082082259 HG Annotated Bother CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCCC1 ZINC000082082414 HG Annotated Bother CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCCC1 ZINC000082082415 HG Annotated Bother CCC#CCOC(=O)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082082477 HG Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)C ZINC000082082479 HG Annotated Mild CCCCOC(=O)COC(=O)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082650 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(C)C ZINC000082082652 HG Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3ccc4nnc(-c5cccc(C#N)c5)n4c3)c2)CC1 ZINC000082082659 HG Annotated Anodyne CCC#CCOC(=O)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082677 HG Annotated Mild CCC#CCOC(=O)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(C)C ZINC000082082679 HG Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCC1=CCCCC1 ZINC000082082855 HG Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCC1=CCCCC1 ZINC000082082857 HG Annotated Anodyne Cn1c(NCc2ccccc2)nc2cnc(Nc3cccc(S(C)(=O)=O)c3)cc21 ZINC000082082954 HG Annotated Anodyne COc1cc(Nc2nnc([C@@H](O)c3cccc(N(C)C)c3)s2)cc(OC)c1OC ZINC000082082971 HG Annotated Anodyne COc1cc(Nc2nnc([C@H](O)c3cccc(N(C)C)c3)s2)cc(OC)c1OC ZINC000082082973 HG Annotated Anodyne CNc1nc2cnc(Nc3cccnc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083013 HG Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1cccnc1 ZINC000082083024 HG Annotated Anodyne N[C@H](c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)c1ccccc1Cl ZINC000082083038 HG Annotated Anodyne N[C@@H](c1csc(Nc2ccc(C(=O)NCCO)cc2)n1)c1ccccc1Cl ZINC000082083040 HG Annotated Anodyne CNc1nc2cnc(Nc3ccc(N4CCOCC4)cc3)cc2n1Cc1ccco1 ZINC000082083072 HG Annotated Anodyne CNc1nc2cnc(Nc3ccccn3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083130 HG Annotated Anodyne CNc1nc2cnc(Nc3cccc(O)c3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083289 HG Annotated Anodyne CNc1nc2cnc(Nc3cc(OC)c(OC)c(OC)c3)cc2n1Cc1ccco1 ZINC000082083313 HG Annotated Anodyne CNc1nc2cnc(Nc3ccc(O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083374 HG Annotated Anodyne C[C@H](/C(O)=N/[C@H]1CCc2ccccc21)N1Cc2ccc(-c3ccnn3C)nc2C1=O ZINC000082083504 HG Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N(C/C(O)=N/CCc2ccccc2)C3)n(C)n1 ZINC000082083597 HG Annotated Mild CCCCOC(=O)COC(=O)[C@@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083798 HG Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082083802 HG Annotated Anodyne C[C@H](/N=C(\O)[C@@H](C)N1Cc2ccc(N3CCOCC3)nc2C1=O)c1ccc(F)cc1 ZINC000082083916 HG Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N(C/C(O)=N/Cc2ccc(F)cc2)C3)n(C)n1 ZINC000082083981 HG Annotated Mild CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083982 HG Annotated Bother CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082083984 HG Annotated Bother C[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082084001 HG Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082084002 HG Annotated Anodyne O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NCCC1=CCCCC1 ZINC000082084748 HG Annotated Bother O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NCC1CCCCC1 ZINC000082084754 HG Annotated Bother O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NCCC1=CCCCC1 ZINC000082084806 HG Annotated Bother O=C(CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)NCC1CCCCC1 ZINC000082084813 HG Annotated Bother Nc1ccccc1CNC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084817 HG Annotated Anodyne CCCCN(CCCC)CCNC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084884 HG Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccc(Cl)cc2)n1)OCCc1ccccn1 ZINC000082084955 HG Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)OCCc1ccccn1 ZINC000082084994 HG Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085432 HG Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085433 HG Annotated Mild CCC#CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085543 HG Annotated Mild CCC#CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085544 HG Annotated Mild CN(CC(=O)NCCC1=CCCCC1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085621 HG Annotated Anodyne CN(CC(=O)NCc1ccccc1N)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085632 HG Annotated Anodyne CN(CC(=O)NCc1ccccc1N)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085670 HG Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1coc(-c2cccs2)n1 ZINC000082085728 HG Annotated Anodyne CN(CC(=O)NCCCN1CCCC1)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085749 HG Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085775 HG Annotated Bother CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085793 HG Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085795 HG Annotated Anodyne CCCCOCCOC(=O)CN(C)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085835 HG Annotated Bother CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085841 HG Annotated Anodyne CN(C)CCCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085842 HG Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085843 HG Annotated Anodyne O=C(N[C@H](CO)COCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085868 HG Annotated Bother O=C(N[C@@H](CO)COCc1ccccc1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085869 HG Annotated Bother O=C(N[C@H](CO)COCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085940 HG Annotated Bother O=C(N[C@@H](CO)COCc1ccccc1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085941 HG Annotated Bother CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)NCc2ccccc2N)cs1 ZINC000082088096 HG Annotated Anodyne CN(CC(=O)NCC1CCCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082089360 HG Annotated Bother C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN=C3O ZINC000082123304 HG Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128268 HG Annotated Anodyne CCCC[C@H](CC)CNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128269 HG Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128271 HG Annotated Anodyne CCCC[C@H](CC)CNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082128273 HG Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082129258 HG Annotated Anodyne COc1ccccc1CCNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 ZINC000082129260 HG Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132556 HG Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132557 HG Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132559 HG Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1 ZINC000082132560 HG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 ZINC000082132999 HG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2)n1 ZINC000082134218 HG Annotated Anodyne COCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134450 HG Annotated Bother COCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(F)cc2)n1 ZINC000082139541 HG Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1 ZINC000082140274 HG Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N3CCOCC3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082142002 HG Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)C1 ZINC000082142287 HG Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)C1 ZINC000082142288 HG Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccco3)n2)C1 ZINC000082142290 HG Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 ZINC000082142469 HG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H](C)CC)nc1-c1ccco1 ZINC000082142700 HG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccco1 ZINC000082142701 HG Annotated Anodyne CCN(C)c1ncc(C(=O)N(C)CC(C)C)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082143583 HG Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082144454 HG Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CC(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082144723 HG Annotated Anodyne COCCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc(C)c2)n1 ZINC000082145313 HG Annotated Mild Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000082146553 HG Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N2CCC(C)CC2)c1 ZINC000082146557 HG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146779 HG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146783 HG Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 ZINC000082146785 HG Annotated Anodyne COCCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082147791 HG Annotated Bother COCCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082147999 HG Annotated Bother COCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148350 HG Annotated Bother COCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148353 HG Annotated Bother COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148356 HG Annotated Bother COCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148357 HG Annotated Bother COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149874 HG Annotated Bother COCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149876 HG Annotated Bother COCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149879 HG Annotated Bother CN1c2ccccc2S(=O)(=O)n2nc(-c3cccnc3Nc3ccccc3)nc21 ZINC000082150792 HG Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N(C)CC)nc1-c1ccccc1F ZINC000082151955 HG Annotated Anodyne CC(C)(C)c1nc2cc(S(=O)(=O)CC3CC3)ccc2n1CC1CCN(C=O)CC1 ZINC000082154198 HG Annotated Anodyne CC(C)CN(C)c1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(C#N)cc2)n1 ZINC000082154539 HG Annotated Mild CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ncc3c2)c1F ZINC000082155495 HG Annotated Anodyne CC[C@@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(C#N)cc2)n1 ZINC000082158608 HG Annotated Mild CC[C@H](C)Nc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(C#N)cc2)n1 ZINC000082158609 HG Annotated Mild CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159405 HG Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(C#N)cc1 ZINC000082159554 HG Annotated Mild Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163657 HG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163658 HG Annotated Bother CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163887 HG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174552 HG Annotated Bother Cc1nc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174555 HG Annotated Bother CC(C)CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCN1CCCC1=O ZINC000082177852 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC(C)C)ncnc21 ZINC000082177912 HG Annotated Clean COCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178246 HG Annotated Anodyne CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21 ZINC000082178571 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179425 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179557 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179571 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179611 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179630 HG Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179748 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccnc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179880 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179899 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180145 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180310 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180564 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180752 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180772 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180833 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180859 HG Annotated Anodyne CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082181044 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCC3CC3)ncnc21 ZINC000082181176 HG Annotated Clean CC(=O)NCCn1c(CC(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185104 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185670 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185753 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082185788 HG Annotated Anodyne O=C1CCCN1CCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000082186065 HG Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(C(=O)OC)cc1)n2CCNC(C)=O ZINC000082186342 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187141 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187266 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccc(C)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187347 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187385 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccnc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188121 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccnc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188123 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188184 HG Annotated Anodyne CC(=O)NCCn1c(-c2ccoc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188185 HG Annotated Anodyne CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189012 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1[N+](=O)[O-] ZINC000082192392 HG Annotated Bother CSCC[C@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194011 HG Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194015 HG Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194020 HG Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194024 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082194183 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000082194185 HG Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082194192 HG Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082194194 HG Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082194636 HG Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082194638 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 ZINC000082194748 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 ZINC000082194750 HG Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000082194753 HG Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@@H]3C(=O)NC[C@H]3CCCO3)n2)c1 ZINC000082194754 HG Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195112 HG Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(O)cc2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195114 HG Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@@H]1CCCO1 ZINC000082195117 HG Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NC[C@H]1CCCO1 ZINC000082195120 HG Annotated Anodyne COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082195368 HG Annotated Bother O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000082195441 HG Annotated Bother O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000082195442 HG Annotated Bother COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000082195471 HG Annotated Mild CSCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NCC(F)(F)F ZINC000082195493 HG Annotated Anodyne COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)c(OC)c1 ZINC000082195566 HG Annotated Anodyne COc1ccc(OC)c(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)c1 ZINC000082195567 HG Annotated Anodyne COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082195986 HG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1Cl)CC3 ZINC000082195994 HG Annotated Anodyne O=C(c1ccco1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196014 HG Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccco1)C3 ZINC000082196025 HG Annotated Anodyne COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)cc1 ZINC000082196043 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccccc1F)CC3 ZINC000082196052 HG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)CC3 ZINC000082196061 HG Annotated Anodyne Cc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082196102 HG Annotated Anodyne Cc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)c1 ZINC000082196103 HG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(Cl)cc1)CC3 ZINC000082196126 HG Annotated Anodyne Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1)CC3 ZINC000082196163 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1)CC3 ZINC000082196176 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1ccc(F)cc1F)CC3 ZINC000082196229 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1c(F)cccc1F)CC3 ZINC000082196231 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCc1ccccc1)CC3 ZINC000082196238 HG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(Cl)c1)CC3 ZINC000082196241 HG Annotated Anodyne Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCc1ccccc1)CC3 ZINC000082196249 HG Annotated Anodyne O=C(C1CCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196265 HG Annotated Anodyne CC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196267 HG Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196269 HG Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CCC1)C3 ZINC000082196276 HG Annotated Anodyne CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C(C)(C)C)C3 ZINC000082196278 HG Annotated Anodyne CC(C)=CC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196280 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cc(F)cc(F)c1)CC3 ZINC000082196303 HG Annotated Anodyne Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1F)CC3 ZINC000082196309 HG Annotated Anodyne CCOc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196320 HG Annotated Anodyne C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082196347 HG Annotated Mild C=CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196359 HG Annotated Mild CC(=O)NCCn1c(CC(C)(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082197028 HG Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198376 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198377 HG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198378 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082199876 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082199878 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000082199880 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082199881 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082199883 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000082199888 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082199944 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082199945 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082199947 HG Annotated Anodyne Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCCCN(C)c1ccccc1 ZINC000082204121 HG Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)CC1 ZINC000082204166 HG Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)CC1 ZINC000082204168 HG Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)CC1 ZINC000082204170 HG Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)CC1 ZINC000082204171 HG Annotated Anodyne COc1cc(CNc2nc(N3C[C@H](C)O[C@H](C)C3)ncc2C)cc(OC)c1OC ZINC000082204245 HG Annotated Anodyne COc1cc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)ncc2C)cc(OC)c1OC ZINC000082204247 HG Annotated Anodyne COc1cc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)ncc2C)cc(OC)c1OC ZINC000082204249 HG Annotated Anodyne COc1cccc(CNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)c1OC ZINC000082204380 HG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204419 HG Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)CCN2 ZINC000082204421 HG Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082204425 HG Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204532 HG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 ZINC000082204545 HG Annotated Anodyne CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205022 HG Annotated Anodyne CCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205036 HG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205038 HG Annotated Anodyne COc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000082205091 HG Annotated Anodyne CC(C)n1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205108 HG Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000082205111 HG Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205297 HG Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 ZINC000082205302 HG Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205320 HG Annotated Mild COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205329 HG Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205463 HG Annotated Mild CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205539 HG Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205751 HG Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205754 HG Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205765 HG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205793 HG Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)[C@@H]1CCCC[C@H]1N2 ZINC000082205876 HG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205934 HG Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206035 HG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206313 HG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccccc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206314 HG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206317 HG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206319 HG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206368 HG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206369 HG Annotated Anodyne COCCn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082206374 HG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206628 HG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206630 HG Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206636 HG Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206638 HG Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@@H](C(C)C)N2 ZINC000082206678 HG Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](C(C)C)N2 ZINC000082206680 HG Annotated Mild CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C)N3)cc1 ZINC000082207225 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C)N3)cc1 ZINC000082207227 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207502 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207504 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207636 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207638 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207643 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207646 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207649 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082207653 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082207767 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082207773 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000082207775 HG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](CC)N2 ZINC000082207785 HG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082207786 HG Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207874 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207923 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(C(C)C)c2=O)N1 ZINC000082207925 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207992 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000082207994 HG Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208021 HG Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208024 HG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208126 HG Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@@H](CC)N2 ZINC000082208388 HG Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC)N2 ZINC000082208390 HG Annotated Mild O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 ZINC000082208501 HG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 ZINC000082208502 HG Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 ZINC000082208617 HG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 ZINC000082208713 HG Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 ZINC000082208714 HG Annotated Anodyne COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208874 HG Annotated Anodyne CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208944 HG Annotated Anodyne CCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208950 HG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208961 HG Annotated Anodyne CCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208964 HG Annotated Anodyne C=CCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209174 HG Annotated Mild C=CCn1c(=O)c(NCc2ccc(OCC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209177 HG Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000082209220 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000082209224 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000082209227 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082209242 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082209244 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082209247 HG Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000082209250 HG Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209689 HG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209818 HG Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209822 HG Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209828 HG Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209830 HG Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209867 HG Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209868 HG Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 ZINC000082209874 HG Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 ZINC000082209876 HG Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209920 HG Annotated Mild C=CCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209922 HG Annotated Mild CCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210004 HG Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210151 HG Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210218 HG Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210219 HG Annotated Mild CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210466 HG Annotated Anodyne CCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210469 HG Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210804 HG Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082210808 HG Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211014 HG Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211018 HG Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211158 HG Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082211160 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211529 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211530 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211746 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccsc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211748 HG Annotated Anodyne CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082212154 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@H](C)CN3)cc1 ZINC000082212246 HG Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082212249 HG Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212301 HG Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 ZINC000082212302 HG Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212660 HG Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212662 HG Annotated Anodyne COC[C@H](Cc1ccccc1)Nc1nc(N2CCN(c3ccccn3)CC2)ncc1C ZINC000082212957 HG Annotated Anodyne Cc1cnc(N2CCN(c3ccccn3)CC2)nc1NCc1ccc(N(C)C)cc1 ZINC000082212958 HG Annotated Clean C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213550 HG Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCC#N ZINC000082213551 HG Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCC#N ZINC000082213552 HG Annotated Mild CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3)n2)CC1 ZINC000082214670 HG Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccco1 ZINC000082216569 HG Annotated Anodyne COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082217233 HG Annotated Mild COCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082217236 HG Annotated Mild COCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 ZINC000082217237 HG Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219366 HG Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219368 HG Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219369 HG Annotated Anodyne CC(=O)NCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082219663 HG Annotated Bother CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082220314 HG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082220316 HG Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082220318 HG Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000082220320 HG Annotated Anodyne CCc1cnc(-c2cnc(NCCNC(C)=O)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082221441 HG Annotated Bother CC(=O)NCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082221443 HG Annotated Bother CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCc3cccs3)ncnc21 ZINC000082222801 HG Annotated Anodyne O=C(N1CCCC1)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222862 HG Annotated Anodyne CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 ZINC000082222872 HG Annotated Anodyne CC(C)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082222891 HG Annotated Anodyne Cc1ccc([C@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 ZINC000082230265 HG Annotated Anodyne Cc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 ZINC000082230266 HG Annotated Anodyne O=c1[nH]c2ccc(N3CCCC[C@@H]3CCO)nc2nc1CSCc1ccccc1 ZINC000082231530 HG Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O ZINC000082231767 HG Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)O[C@@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N21 ZINC000083921759 HG Annotated Mild in-vitro CC[C@H](C)[C@H]1C(=O)O[C@@H]2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12 ZINC000083921762 HG Annotated Mild in-vitro CNc1ccnc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000084375256 HG Annotated Anodyne CN(C)/N=N\C(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C ZINC000084466219 HG Annotated Clean COc1ccc(-c2cn([C@@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)nn2)cc1 ZINC000084587946 HG Annotated Mild COc1ccc(-c2cn([C@H]3C4=C(OC3(C)C)c3ccccc3C(=O)C4=O)nn2)cc1 ZINC000084587950 HG Annotated Mild CN(C)[C@@H]1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)nc(-c3cccc(C#N)c3)n2)C1 ZINC000084596489 HG Annotated Mild O=C(c1cc(O)c(O)cc1Br)c1cc(O)c(O)cc1Br ZINC000084596633 HG Annotated Clean O=P(O)(O)C1(P(=O)(O)O)C(=S)c2ccccc2N=C1C1CCCCC1 ZINC000084603799 HG Annotated Clean O=C(c1c(NC(=O)C23C[C@@H]4CC2C[C@@H](C4)C3)sc2c1CCOC2)N1CCOCC1 ZINC000084604311 HG Annotated Anodyne CN(C)CCNC(=O)c1ccc(/C=C2\CCn3c2nc2cc(Cl)ccc2c3=O)cc1 ZINC000084604953 HG Annotated Anodyne Cc1n[nH]cc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084605327 HG Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(F)c([N+](=O)[O-])c2)c(OC)c1 ZINC000084614514 HG Annotated Bother Cc1oncc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084615043 HG Annotated Anodyne Cc1ncoc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084615045 HG Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N(CCc3cccs3)CC(=O)O)cccc12 ZINC000084615777 HG Annotated Anodyne CCCNC(=O)c1c(NC(=O)C23C[C@@H]4CC(C[C@@H](C4)C2)O3)sc2c1CCOC2 ZINC000084615788 HG Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1n1cc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000084615916 HG Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1n1cc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000084615918 HG Annotated Mild CSc1cccc(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)c1 ZINC000084616388 HG Annotated Anodyne Cc1ccccc1Nc1nc(N2CCCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084618342 HG Annotated Anodyne CNCCN(C)c1nc(Nc2ccccc2SC)c2ncnc(NCC3CC3)c2n1 ZINC000084618495 HG Annotated Anodyne c1ccc(C2CC2)c(Nc2nc(N3CCNCC3)nc3c(NCC4CC4)ncnc23)c1 ZINC000084619139 HG Annotated Anodyne COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)n3)OC2=S)cc1 ZINC000084619762 HG Annotated Anodyne Clc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084633020 HG Annotated Anodyne COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)N(CCC(C)C)CCC(C)C)cc2[nH]1 ZINC000084633594 HG Annotated Anodyne COc1cc(-c2cn([C@@H]3CC[C@H]4CCCC[C@@H]4NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084633624 HG Annotated Anodyne COc1cc(-c2cn([C@H]3CC[C@H]4CCCC[C@@H]4NC3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084633627 HG Annotated Anodyne Cc1cnc(C(=O)Nc2ccc(C(C)C)cc2N2CCN(c3cnccn3)CC2)cn1 ZINC000084633895 HG Annotated Anodyne CC(C)c1ccc(NC(=O)C2CCOCC2)c(N2CCN(c3cnccn3)CC2)c1 ZINC000084633897 HG Annotated Anodyne Cc1nocc1C(=O)Nc1ccc(C(C)C)cc1N1CCN(c2cnccn2)CC1 ZINC000084633905 HG Annotated Anodyne CN(C)c1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cn1 ZINC000084634112 HG Annotated Anodyne N#Cc1cc(N)ncc1-c1cc(Nc2cnc3ccccc3c2)nc(N2CCOCC2)n1 ZINC000084634547 HG Annotated Mild Cc1ccccc1Nc1nc(N2CCC(N)CC2)nc2c(NCC3CC3)ncnc12 ZINC000084635677 HG Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@@H]1CC(C)(C)Oc3ccc(F)cc31)N2 ZINC000084652381 HG Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N=C(C(=O)N[C@H]1CC(C)(C)Oc3ccc(F)cc31)N2 ZINC000084652382 HG Annotated Anodyne Cn1nnnc1Sc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O ZINC000084652621 HG Annotated Clean C1=C(c2ncccn2)CN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CC1 ZINC000084652883 HG Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(Cc3ccc(C(=O)O)cc3)c2n1 ZINC000084653771 HG Annotated Anodyne O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(F)cc3)n2)cc1 ZINC000084668899 HG Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cn[nH]n3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000084668931 HG Annotated Anodyne Cn1cc(-c2c(Cc3cccc4ccccc34)cc(=O)n3c2SC[C@H]3C(=O)O)nn1 ZINC000084668932 HG Annotated Anodyne COc1ccc(-c2n[nH]nc2Cc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000084669349 HG Annotated Bother Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1Br ZINC000084669723 HG Annotated Anodyne O=C1N(c2nnc(N3CCC(N4CCCCC4)CC3)s2)CCN1C1CCCC1 ZINC000084670984 HG Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000084671472 HG Annotated Mild Cc1cc(C)n(C(=O)c2nc(O)c3c(n2)N(c2ccccc2)C(=O)N2CCC[C@H]32)n1 ZINC000084671493 HG Annotated Anodyne Cc1cc(C)n(C(=O)c2nc(O)c3c(n2)N(c2ccccc2)C(=O)N2CCC[C@@H]32)n1 ZINC000084671494 HG Annotated Anodyne CCOC(=O)c1cc2c(=O)n3nc(SCC)n(-c4ccccc4)c3c(C#N)c2[nH]1 ZINC000084671634 HG Annotated Mild CCSc1nn2c(=O)c(/C=N/O)c(NCC(C)C)c(C#N)c2n1-c1ccccc1 ZINC000084671661 HG Annotated Mild N=C(N)SCc1ccccc1C(=O)c1cc([N+](=O)[O-])ccc1CSC(=N)N ZINC000084671827 HG Annotated Bother COC(=O)c1cc2c(s1)C(=O)C(Cl)=C([n+]1cccc(Br)c1)C2=O ZINC000084671855 HG Annotated Mild O=C(NCCCn1cnc([N+](=O)[O-])n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084671987 HG Annotated Bother COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@H](c1ccccn1)N2 ZINC000084672263 HG Annotated Anodyne COc1c(C(=O)NCc2ccc(F)cc2)ccc2c1C(=O)N(C)[C@@H](c1ccccn1)N2 ZINC000084672264 HG Annotated Anodyne CN(C)CCCNC(=O)c1ccc2[nH]c(=O)c3sc4cc([N+](=O)[O-])ccc4c3c2c1 ZINC000084687619 HG Annotated Bother CCOC(=O)c1c2c(n3cc(Cl)ccc13)C(=O)c1cc(C(=O)OC)sc1C2=O ZINC000084688182 HG Annotated Clean CC(C)NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c(=O)c2c(N)scc12 ZINC000084690003 HG Annotated Anodyne CC1=NN=C(O)/C1=N/Nc1[nH]nc(C)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084690299 HG Annotated Mild CCc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1 ZINC000084690549 HG Annotated Bother Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCCCC1 ZINC000084690551 HG Annotated Bother Cc1nc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)sc1C(=O)N1CCC(C)CC1 ZINC000084690708 HG Annotated Bother Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H]3CCOC3)c2n1 ZINC000084691037 HG Annotated Anodyne CN(C)CCNc1nc(N/N=C/c2nccn2Cc2ccccc2)nc2ccccc12 ZINC000084704327 HG Annotated Mild COc1cc(C)cc2c1C(=O)C=C(C1=C(C)C(=O)c3ccc(O)c(OC)c3C1=O)C2=O ZINC000084705154 HG Annotated Mild Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@@H]3CCOC3)c2n1 ZINC000084712957 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)NNS3(=O)=O)CC1 ZINC000084713029 HG Annotated Anodyne COc1cccc2cc(C(=O)Nc3c(C#N)ncn3-c3ccc(F)cc3)c(=N)oc12 ZINC000084714203 HG Annotated Mild Cc1ccc2c(n1)C(=O)C(Br)=C(N1CCN(c3ccccc3)CC1)C2=O ZINC000084723273 HG Annotated Mild COc1cccc2cc(C(=O)Nc3c(C#N)ncn3-c3ccc(C#N)cc3)c(=N)oc12 ZINC000084725702 HG Annotated Mild COc1ccc(-n2cnc(C#N)c2NC(=O)c2cc3cccc(OC)c3oc2=N)cc1 ZINC000084725707 HG Annotated Mild CN(c1ccccc1)c1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc12 ZINC000084726101 HG Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(I)c1O2 ZINC000084727564 HG Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CC[C@@]2(O)Cc1cccc[n+]1[O-] ZINC000084728524 HG Annotated Anodyne CCCCCCOC(=O)[C@@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084729849 HG Annotated Anodyne CCCCCCOC(=O)[C@H](CCCCN1C(=O)CCC1=O)N1CCCCCC1=O ZINC000084729853 HG Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000084729863 HG Annotated Clean O=C(NN1C(=O)CS[C@H]1c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000084729866 HG Annotated Clean c1ccc(C[C@H]2CN(c3nccc(Oc4ccc(-n5ccnc5)cc4)n3)CCN2)cc1 ZINC000084731133 HG Annotated Anodyne C=CCNCCS(=O)(=O)c1cccc(Nc2ccc(-c3ccc(OC)nc3)cn2)c1 ZINC000084731923 HG Annotated Mild NC(=O)[C@@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739632 HG Annotated Anodyne NC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084739634 HG Annotated Anodyne CC(=O)c1nnc2c(/N=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(C)nn2c1C ZINC000084739682 HG Annotated Clean Cc1nn2c3c(nnc2c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)CCC3 ZINC000084739684 HG Annotated Clean COc1cc(CCCO)ccc1O[C@H](C)[C@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000084739897 HG Annotated Anodyne COc1cc(CCCO)ccc1O[C@H](C)[C@@H](O)c1cc(OC)c(OC)c(OC)c1 ZINC000084741126 HG Annotated Anodyne CC(=N)/C(C#N)=N\Nc1n[nH]c(C)c1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084741845 HG Annotated Mild CNC(=O)[C@H](Cc1ccccc1F)CN1CCC2(CC1)OCCc1cc(F)sc12 ZINC000084742636 HG Annotated Anodyne COc1cc2c(cc1O)[C@@H]1CCc3cc(OC)c(OC)c(OC)c3[C@H]2CN1C(C)=O ZINC000084756858 HG Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000084757834 HG Annotated Bother CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1 ZINC000084758312 HG Annotated Anodyne O=c1cc(N2CCOCC2)[nH]c(Cc2nc3c(-c4ccccc4)c(F)ccc3o2)n1 ZINC000084758861 HG Annotated Anodyne CC[C@]12CCCN3C[C@@H](Br)[C@@]4(c5ccccc5N5[C@H]4[C@]5(C(=O)OC)C1)[C@@H]32 ZINC000084893270 HG Annotated Reactive COc1ccc([C@@H]2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)cc1 ZINC000008535784 HG Annotated Mild CCCCN(CC)C(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 ZINC000008588886 HG Annotated Anodyne Cc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)cc1C ZINC000008591892 HG Annotated Anodyne Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000008592811 HG Annotated Anodyne CCOC(=O)CC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 ZINC000008602410 HG Annotated Anodyne O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sc3ccccc3c21)N1CCCC1 ZINC000008604007 HG Annotated Anodyne Cc1ccc(CNC(=O)[C@@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1 ZINC000008605356 HG Annotated Anodyne Cc1ccc(CNC(=O)[C@H](C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)cc1 ZINC000008605357 HG Annotated Anodyne Cn1cccc1-c1cc2n(n1)CCC(=O)N2CC(=O)Nc1ccc(F)cc1Cl ZINC000008609501 HG Annotated Anodyne Cc1nnc(N2CCN(c3ccccc3F)CC2)c2c1nnn2Cc1ccccc1 ZINC000008613259 HG Annotated Anodyne CCCc1cc2c(n1CCO)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000008628908 HG Annotated Anodyne Nc1scc2c(C(=O)NN=Cc3ccc(Cl)cc3)nn(-c3ccccc3)c(=O)c12 ZINC000008666584 HG Annotated Anodyne aggregator O=C(NC[C@@H]1CCCO1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000008671682 HG Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 ZINC000008671683 HG Annotated Anodyne COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2nc1O)N1CCCCCC1 ZINC000008674200 HG Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCCO)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000008677521 HG Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCC(=O)N([C@H](CO)Cc3ccccc3)CC2)cc1 ZINC000008680075 HG Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCC(=O)N([C@@H](CO)Cc3ccccc3)CC2)cc1 ZINC000008680076 HG Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(/C(S)=N/C3CCCCC3)CC2)=C(O)C1 ZINC000008683730 HG Annotated Mild COc1ccccc1NS(=O)(=O)c1cccc(/N=C2\N=C(N)c3ccccc32)c1 ZINC000008685616 HG Annotated Mild COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccncc3)c2)cc1 ZINC000008686934 HG Annotated Reactive COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2nc1O)N1CCCCCC1 ZINC000008716826 HG Annotated Anodyne COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1 ZINC000008772806 HG Annotated Anodyne Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1 ZINC000008772880 HG Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CSC(=S)N/N=C/c1ccccc1O)C2=O ZINC000008829021 HG Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CSC(=S)N/N=C/c1ccccc1O)C2=O ZINC000008829022 HG Annotated Mild CCCCN(CCCC)CCCNC(=O)[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000008829403 HG Annotated Bother CCCCN(CCCC)CCCNC(=O)[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000008829404 HG Annotated Bother CCCCC1=CC2=C(OC(C)=O)C(=O)[C@@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860640 HG Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@](C)(OC(=O)c3ccco3)C(=O)C2=CO1 ZINC000008860641 HG Annotated Mild C[C@]1(OC(=O)c2ccco2)C(=O)C2=COC(C3CC3)=CC2=C(Br)C1=O ZINC000008860668 HG Annotated Mild C[C@@]1(OC(=O)c2ccco2)C(=O)C2=COC(C3CC3)=CC2=C(Br)C1=O ZINC000008860669 HG Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000008860674 HG Annotated Mild COC(=O)CCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CCc3ccccc3)C(=O)C2=CO1 ZINC000008860675 HG Annotated Mild O=S1(=O)c2ccccc2[C@H](O)[C@H](Cc2cccc3[nH]ccc23)N1Cc1cccnc1 ZINC000008993519 HG Annotated Anodyne O=S1(=O)c2ccccc2[C@@H](O)[C@H](Cc2cccc3[nH]ccc23)N1Cc1cccnc1 ZINC000008993520 HG Annotated Anodyne O=S1(=O)c2ccccc2[C@H](O)[C@@H](Cc2cccc3[nH]ccc23)N1Cc1cccnc1 ZINC000008993521 HG Annotated Anodyne O=S1(=O)c2ccccc2[C@@H](O)[C@@H](Cc2cccc3[nH]ccc23)N1Cc1cccnc1 ZINC000008993522 HG Annotated Anodyne CCNC[C@@](O)(CCCCCC1CCC([C@@H]2CC[C@@H](O)[C@H](C)N2)CC1)CC(=O)O ZINC000085488199 HG Annotated Anodyne in-vitro biogenic CCN[C@H]1CC[C@H](CCCCCCC[C@@H]2CC[C@@H](O)[C@H](C)N2)C[C@@]1(O)CC(=O)O ZINC000085488220 HG Annotated Anodyne in-vitro biogenic CCNC[C@@](O)(CCCCCCC[C@H]1CCN2[C@@H](CC[C@@H](O)[C@@H]2C)C1)CC(=O)O ZINC000085488238 HG Annotated Anodyne in-vitro biogenic CC(=O)C[C@@H]1C[C@]2(C)[C@H](CC[C@@H](O)[C@]2(C)O)[C@@](C=O)(C[C@@H](O)c2ccoc2)[C@@H]1C ZINC000085490006 HG Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCCCCCC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510320 HG Annotated Mild in-vitro biogenic CO[C@@H]1[C@@H](C)C=C[C@H]1Cc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2[C@@](C)(O)CO)cc1 ZINC000085510762 HG Annotated Anodyne in-vitro biogenic C=C[C@@H](C)C1=C[C@]2(OC)C(=O)[C@H]([C@@H]1O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C ZINC000085511905 HG Annotated Mild in-vitro biogenic CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]42)CN13 ZINC000085532592 HG Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@H](N)[C@@H]2C#CCc1cc(O)ccc1C[C@H]1C[C@H](CO)C[C@@H]3C1 ZINC000085543176 HG Annotated Mild in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43CCC[C@H]3[C@H]2N1 ZINC000085547418 HG Annotated Anodyne in-vitro biogenic CNCCN[C@@H]1[C@@H]2C=C[C@@]34[C@@H](O)[C@@H]5C=C[C@H]6C[C@]5(C)C[C@](O)(C6)[C@]3(C2)C[C@]42CCC[C@@H]12 ZINC000085547451 HG Annotated Anodyne in-vitro biogenic CNCCN[C@@H]1[C@@H]2CC[C@@]34[C@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@]3(C2)C[C@]42CCC[C@@H]12 ZINC000085547456 HG Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@H]3C[C@@H](O)C4(CCCC4)[C@@H]3N2)[C@@]2(O)CN12 ZINC000085547696 HG Annotated Anodyne in-vitro biogenic O=Cc1ccc([C@@H](C2CCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4[C@@H](O)CC[C@H]4N3)[C@@]3(O)CN23)cc1 ZINC000085547734 HG Annotated Anodyne in-vitro biogenic Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@@H](O)[C@@H]1CC(C)(C)C[C@@H]12 ZINC000085557872 HG Annotated Anodyne in-man COc1cc(=O)oc(/C=C/C=C/C=C/C(C)=C/[C@@]2(C)O[C@@H](C)[C@@](C)(O)[C@@H]2O)c1C ZINC000085592711 HG Annotated Anodyne CCCCCCOC(=O)[C@]12O[C@@]1(CC(CO)=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592720 HG Annotated Clean in-vitro biogenic CCCC[C@H](CNC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O ZINC000085592728 HG Annotated Clean in-vitro biogenic COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3c(cc(OC)c4cc(O)ccc34)[C@@H]1O)CO2 ZINC000085593018 HG Annotated Anodyne in-vitro biogenic C[C@@]1(CC2=Cc3ccccc3CC2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593550 HG Annotated Anodyne in-vitro biogenic C[C@@]1(Cc2ccc3ccccc3c2)Oc2cc3oc(CO)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593557 HG Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2C ZINC000085594146 HG Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2C ZINC000085594147 HG Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)cc4)C[C@@H]3O2)c(CO)c(O)c1O ZINC000085596392 HG Annotated Clean in-vitro biogenic CC(=O)O[C@@H](CCc1ccc(O)c2c1CCCO2)C[C@@H](CCC[C@H](C)O)OC(C)=O ZINC000085596878 HG Annotated Anodyne in-vitro biogenic C[C@H](O)CCC/C=C/C=C/[C@H](O)C[C@H](O)C/C=C\C=C\[C@H](O)C/C=C/C=C\C(=O)O ZINC000085597038 HG Annotated Anodyne CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1-c1ccc(CN)cc1CCO ZINC000085597482 HG Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O ZINC000085625919 HG Annotated Clean in-vitro biogenic CNC(=N)N[C@H](C)CCCC(=O)CC(=O)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085627149 HG Annotated Anodyne in-vitro biogenic CC[C@@]1(CNC)C#CC[C@@H](Cc2ccc(O)c(OC)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628453 HG Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@@H](Cc2ccc(O)c(OCCC=O)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628466 HG Annotated Mild in-vitro biogenic Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@]12O ZINC000085635108 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@]12O ZINC000085635111 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@]12O ZINC000085635114 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@H]3C=C(C(=O)O)[C@]12O ZINC000085635115 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@@H]12 ZINC000085635127 HG Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@@H]12 ZINC000085635128 HG Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@H]21 ZINC000085635131 HG Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]1C(C=O)=C[C@@]1(O)CC(C)(C)C[C@H]21 ZINC000085635132 HG Annotated Reactive in-man CC(=O)OCC1=C[C@H](O)[C@@]2([C@@H](O)/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H]2C1=O ZINC000085638337 HG Annotated Mild COC1=CC(=O)c2cc(C)c(C3=CC(=O)c4c(O)cc(C)cc4C3=O)c(O)c2C1=O ZINC000085647847 HG Annotated Mild CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]2(C[C@H](c3ccoc3)OC2=O)[C@@H]1C ZINC000085669717 HG Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCCN2C(=O)C[C@@H](O)c3ccccc3[C@@H]2CCN1 ZINC000085776303 HG Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12 ZINC000085810288 HG Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12 ZINC000085810291 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12 ZINC000085810293 HG Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)C1=C(CO)[C@H](O)[C@H]1CC(C)(C)C[C@@H]12 ZINC000085810295 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085810297 HG Annotated Anodyne in-man endogenous COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085810302 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085810303 HG Annotated Anodyne in-man COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)C2=C(CO)[C@H](O)[C@H]2CC(C)(C)C[C@@H]23)c(O)c1 ZINC000085810306 HG Annotated Anodyne in-man COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)[C@H]1OC ZINC000085814765 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)[C@H]1OC ZINC000085814766 HG Annotated Mild in-man COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)[C@@H]1OC ZINC000085814771 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)[C@@H]1OC ZINC000085814773 HG Annotated Mild in-man CCCCC[C@H]1CC2=C(C[C@](O)(CCCC)CC3=C1C(=O)OC3=O)C(=O)OC2=O ZINC000085850334 HG Annotated Reactive CCCCC1=C(Br)[C@](O)(C(Br)Br)OC1=O ZINC000085855518 HG Annotated Reactive COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000085859227 HG Annotated Anodyne COc1ccc([C@@H](OC)[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@@H]2CO)cc1OC ZINC000085861489 HG Annotated Anodyne in-vitro COc1ccc([C@@H](OC)[C@@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000085861493 HG Annotated Anodyne in-vitro COc1ccc([C@@H](OC)[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000085861495 HG Annotated Anodyne in-vitro COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@H]2C)cc(O)c1OC ZINC000085913815 HG Annotated Anodyne C=C1C(=O)[C@]23[C@@H](O)[C@H]1CC[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000085932986 HG Annotated Mild C=C1C(=O)[C@]23[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000085933001 HG Annotated Mild COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C=O)c(O)c(C)c2O)c(C)c1O ZINC000085948096 HG Annotated Anodyne C=C(C)[C@@H]1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1 ZINC000085950246 HG Annotated Mild COc1cc2c(c(OC)c1OC)C[C@H]1c3c(c(OC)c4c(c3-2)OCO4)CC[N+]1(C)[O-] ZINC000085996673 HG Annotated Bother CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000086010712 HG Annotated Anodyne in-man endogenous CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@@H](OC(=O)/C=C/SC)[C@H](C)[C@]21C ZINC000086010714 HG Annotated Anodyne in-man CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@@H](C)[C@]21C ZINC000086010718 HG Annotated Anodyne in-man endogenous CO[C@@H]1C2=C(C)C(=O)O[C@]2(OC)C[C@@H]2CC[C@H](OC(=O)/C=C/SC)[C@H](C)[C@]21C ZINC000086010719 HG Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)OC(=O)[C@@]1(C)O[C@H]1C ZINC000086037508 HG Annotated Anodyne COc1cc([C@@H](OC(=O)C=C(C)C)[C@H](C)OC(=O)[C@]2(C)O[C@@H]2C)cc2c1OCO2 ZINC000086037534 HG Annotated Anodyne COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)C1=O ZINC000086044173 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@]2(C)C1=O ZINC000086044175 HG Annotated Mild in-man COC1=C[C@@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000086044178 HG Annotated Mild in-man COC1=C[C@H](C)[C@H]2C[C@H]3O[C@@H](OC)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000086044180 HG Annotated Mild in-man N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000088260840 HG Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000088260841 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@H]1Cc1ccc(F)cc1 ZINC000088260842 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2[C@@H]1Cc1ccc(F)cc1 ZINC000088260843 HG Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260864 HG Annotated Anodyne N[C@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260865 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)c(F)c1 ZINC000088260866 HG Annotated Anodyne N[C@@H]1CCc2ccc(CNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)c(F)c1 ZINC000088260867 HG Annotated Anodyne COC(=O)c1cccc2c1c(I)nn2C(=O)OC(C)(C)C ZINC000089195577 HG Annotated Anodyne CCc1nc(C2(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)CCCC2)no1 ZINC000089289981 HG Annotated Anodyne C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(-n2ccnc2)cc1 ZINC000009096972 HG Annotated Mild CCOC(=O)N1CCN(C(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000009115400 HG Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)o2)CC1 ZINC000009115401 HG Annotated Anodyne Cc1cccc(NC(=O)CCC2=NS(=O)(=O)c3cc(Br)cnc3N2)c1 ZINC000009252069 HG Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2cccnc2)c1 ZINC000009285176 HG Annotated Reactive COc1ccc2oc(C(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)c(C)c2c1 ZINC000009463331 HG Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Br)o3)c2)nn1 ZINC000009626734 HG Annotated Anodyne COc1ccc(CNC(=O)c2ccccc2NC(=O)C2=CSCCO2)c(OC)c1 ZINC000009739285 HG Annotated Anodyne O=C(C[C@H]1S/C(=N/N=C\c2ccco2)NC1=O)c1ccc(Br)cc1 ZINC000009971517 HG Annotated Mild CC(=O)[C@@H]1c2oc3c4c(cc(O)c3c(=O)c2C[C@@H]2[C@H]1C(=O)OC2(C)C)OC(C)(C)C=C4 ZINC000095099012 HG Annotated Anodyne in-vitro biogenic COc1ccc([C@@]2(O)COc3cc(O)cc(O)c3C2=O)c(OC)c1C(C)=C(C)C ZINC000095536673 HG Annotated Anodyne CCN1C2=C(C(=O)OC2)[C@](C)(c2cc(OC)cc(OC)c2)c2cc3c(cc21)OCO3 ZINC000095549348 HG Annotated Anodyne O=C(Nc1ccc(-c2nnn[nH]2)cn1)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)c1 ZINC000095553585 HG Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N2CCc2ccccn2)cc1 ZINC000095554020 HG Annotated Anodyne COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccccn2)cc1 ZINC000095554021 HG Annotated Anodyne CC[C@@H](C)C(=O)O[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@@]2(C)O[C@@H]12 ZINC000095556081 HG Annotated Anodyne CC[C@H](C)C(=O)O[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@@]2(C)O[C@@H]12 ZINC000095556082 HG Annotated Anodyne Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4cccc(F)c4)cn23)n1 ZINC000095557353 HG Annotated Anodyne CCN(CCO)C(=O)c1cc2cc(OC)cnn2c1-c1cccc(C(F)(F)F)c1 ZINC000095557443 HG Annotated Anodyne Cc1nc(N)nc(-c2c(Nc3cc[nH]n3)nc3ccc(-c4ccccc4F)cn23)n1 ZINC000095557563 HG Annotated Anodyne O=C(N/N=C/N1C=Cc2oncc2C1)c1cnc2c(C(F)(F)F)cccc2c1O ZINC000095557736 HG Annotated Reactive CC(=O)Nc1ccc(C(=O)N[C@H](c2cn(C3(C#N)CC3)nn2)C2CCCCC2)cc1 ZINC000095558152 HG Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 ZINC000095559644 HG Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cccc(NC)c3)cc21 ZINC000095559645 HG Annotated Mild C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3cc(-c4cccc(N)c4)nn3)[C@@H]2CC1 ZINC000095560281 HG Annotated Anodyne COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O ZINC000095560397 HG Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cnccn2)C1 ZINC000095565196 HG Annotated Anodyne Cn1ccc(-c2nnc3n2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1 ZINC000095565853 HG Annotated Anodyne CCCCn1nnnc1[C@@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000095566332 HG Annotated Clean CCCCn1nnnc1[C@H](c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1 ZINC000095566333 HG Annotated Clean COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@H]1c1ccccc1F ZINC000095566359 HG Annotated Reactive COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@@H]1c1ccccc1F ZINC000095566360 HG Annotated Reactive CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(CC(=O)OC)C(=O)c1ccccc12 ZINC000095566590 HG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCc1ccc(O)cc1 ZINC000095567090 HG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCc1ccc(O)cc1 ZINC000095567091 HG Annotated Anodyne CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(CCC(=O)OC)C(=O)c1ccccc12 ZINC000095567421 HG Annotated Anodyne Cc1cc(C)nc(NC(=S)N2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1 ZINC000095567540 HG Annotated Anodyne O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095567584 HG Annotated Anodyne c1ccc2c([C@@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCCC3)ccnc2c1 ZINC000095567947 HG Annotated Anodyne c1ccc2c([C@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCCC3)ccnc2c1 ZINC000095567948 HG Annotated Anodyne Cc1cc(C)nc(N/C(=N/C#N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000095568739 HG Annotated Mild O=C1C(Sc2ccccc2)=C[C@@]2(O)CC[C@@H](O)[C@]1(Sc1ccccc1)[C@H]2O ZINC000095569510 HG Annotated Mild COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 ZINC000095569689 HG Annotated Reactive COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@H]1c1ccc(OC)cc1 ZINC000095569690 HG Annotated Reactive C=C1C(=O)CC2=C1[C@](Cc1ccc(F)cc1)(C(=O)OC)N(C(=O)c1ccccc1)C2 ZINC000095570185 HG Annotated Mild O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 ZINC000095570327 HG Annotated Anodyne N#C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095570354 HG Annotated Mild COc1ccc(C(=O)N(c2c(C)cccc2C)C(COC(C)=O)COC(C)=O)cc1 ZINC000095570439 HG Annotated Anodyne O=S(=O)(N[C@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1 ZINC000095572564 HG Annotated Anodyne O=S(=O)(N[C@@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cccs1 ZINC000095572565 HG Annotated Anodyne O=C(Nc1nn(C(=O)C2CC2)c2c1CN(C(=O)c1ccccc1)C2)c1ccc(F)cc1 ZINC000095572626 HG Annotated Anodyne Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(OC[C@@H](O)CO)cc1C2=O ZINC000095572994 HG Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@@H](c4nccn4C)ON=C23)ccc1-n1cnc(C)c1 ZINC000095573363 HG Annotated Anodyne COc1cc(/C=C2\CCCN3C[C@H](c4nccn4C)ON=C23)ccc1-n1cnc(C)c1 ZINC000095573364 HG Annotated Anodyne Ic1cnn2c1nnc1ccc(NCc3ccccc3)cc12 ZINC000095573478 HG Annotated Anodyne CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(C)cc3)nn(C(=O)C3CC3)c2C1 ZINC000095573731 HG Annotated Anodyne Nc1ccccc1Nc1ccc2c(c1)CCc1ccc(OC[C@H](O)CO)cc1C2=O ZINC000095574123 HG Annotated Anodyne O=S(=O)(c1ccc2[nH]c(N3CCO[C@@H](c4ccccc4)C3)nc2c1)C(F)(F)F ZINC000095574979 HG Annotated Anodyne COC(=O)N1CCC2(CC1)CN=C1c3ccc(Br)cc3SC(=N)N1C2 ZINC000095575525 HG Annotated Anodyne Nc1ccccc1Nc1ccc2c(c1)CCc1c(OC[C@H](O)CO)cccc1C2=O ZINC000095576563 HG Annotated Anodyne COc1ccc([C@H]2C=C(c3nnn(Cc4ccccc4)c3C)NC(=S)N2)c(OC)c1 ZINC000095576625 HG Annotated Anodyne COc1ccc([C@@H]2C=C(c3nnn(Cc4ccccc4)c3C)NC(=S)N2)c(OC)c1 ZINC000095576626 HG Annotated Anodyne CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(F)cc3)nn(C(=O)C3CC3)c2C1 ZINC000095576720 HG Annotated Anodyne O=C(Nc1nn(C(=O)C2CC2)c2c1CN(C(=O)c1ccccc1)C2)c1ccccc1 ZINC000095576798 HG Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)Nc1cc(F)c(C#N)cc1F)=NO2 ZINC000095577480 HG Annotated Mild CC(=O)N1CCC2(CC1)CN=C1c3ccc(Br)cc3SC(=N)N1C2 ZINC000095577886 HG Annotated Anodyne Cc1nc2ccccc2nc1OCc1nc(OC2CCOCC2)cc(N2CCCC2)n1 ZINC000095578530 HG Annotated Anodyne CC(C)COc1cccc2onc(OCC3CCN(CC4(O)CCOCC4)CC3)c12 ZINC000095578658 HG Annotated Anodyne Cc1nc2ccccc2nc1OCc1cc(OC2CCOCC2)nc(N2CCCC2)n1 ZINC000095579902 HG Annotated Anodyne CC(=O)N(C)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1 ZINC000095580357 HG Annotated Anodyne Cc1c(C2=C[C@H](c3ccc([N+](=O)[O-])cc3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095580516 HG Annotated Bother Cc1c(C2=C[C@@H](c3ccc([N+](=O)[O-])cc3)NC(=S)N2)nnn1Cc1ccccc1 ZINC000095580517 HG Annotated Bother COc1ccc(C(=O)OCCCCCN[C@H]2CCCc3[nH]c(=O)ccc32)cc1OC ZINC000095580749 HG Annotated Anodyne COc1cc([C@@H](O)c2nc3ccc(Br)cc3n2C)cc(OC)c1OC ZINC000095581465 HG Annotated Anodyne COc1cc([C@H](O)c2nc3ccc(Br)cc3n2C)cc(OC)c1OC ZINC000095581466 HG Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)ccc1Cl ZINC000095581959 HG Annotated Anodyne COc1cc([C@@H](O)c2nc3cc(Br)ccc3n2C)cc(OC)c1OC ZINC000095582390 HG Annotated Anodyne COc1cc([C@H](O)c2nc3cc(Br)ccc3n2C)cc(OC)c1OC ZINC000095582391 HG Annotated Anodyne Cc1onc(NC(=O)N2CCN(c3nc(-c4ccc(F)cc4)ns3)CC2)c1C ZINC000095582984 HG Annotated Anodyne COc1ccc(OCC#Cc2cccc(C#CCOc3ccc(OC)cc3)[n+]2C)cc1 ZINC000095583185 HG Annotated Mild CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000095583838 HG Annotated Reactive CC(C)(N)CNC(=O)CC1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 ZINC000095584358 HG Annotated Reactive N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cn[nH]c1 ZINC000095585304 HG Annotated Mild CC(C#N)=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 ZINC000095585393 HG Annotated Reactive CCc1nnnn1-c1cc(C(=O)N[C@@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000095585401 HG Annotated Anodyne CCc1nnnn1-c1cc(C(=O)N[C@H](C)c2cnccn2)cc(-c2ccc(C)cc2)c1 ZINC000095585402 HG Annotated Anodyne N#C[C@@H](C(=O)NCc1ccccn1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095585532 HG Annotated Mild N#C[C@H](C(=O)NCc1ccccn1)c1nc2ccccc2nc1N1CCCCCC1 ZINC000095585533 HG Annotated Mild CCOC(=O)C[n+]1c(Br)c(Br)n(C)c1-c1ccccc1 ZINC000095586063 HG Annotated Mild COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)[C@H]2c2ccco2)cc1OC ZINC000095586080 HG Annotated Anodyne COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)[C@@H]2c2ccco2)cc1OC ZINC000095586081 HG Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCc4ccccn4)ccc31)C(=O)c1ccncc1-2 ZINC000095586439 HG Annotated Clean CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCNC(=O)c2ccccc2NC)C1 ZINC000095586689 HG Annotated Anodyne CCCCCCCCOCC#CCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OCO[C@H]21 ZINC000095586797 HG Annotated Mild C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@@]3(O)C=CC(=O)CC3)c[nH]c2=O)C1 ZINC000095586831 HG Annotated Mild C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)C=CC(=O)CC3)c[nH]c2=O)C1 ZINC000095586832 HG Annotated Mild CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@@]12O)CO[C@@H]3O ZINC000095586958 HG Annotated Anodyne C[C@@H](Nc1c(C(N)=O)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12)C1CC1 ZINC000095587071 HG Annotated Anodyne CN(C)CCCOc1c(Br)cc([C@H]2CNC(=O)O2)cc1Br ZINC000095587862 HG Annotated Anodyne O=c1c2ccc3sc4ccccc4c4ccc(c(=O)n1CN1CCNCC1)c2c34 ZINC000095588140 HG Annotated Bother C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](O)[C@H](O)[C@H]1[C@](C)(O)C=CC(=O)[C@@]13C ZINC000095588293 HG Annotated Anodyne CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(NC[C@H](C)O)c2c1Cl ZINC000095588908 HG Annotated Anodyne COc1cc(-c2nc3cc(S(N)(=O)=O)cc4oc5ccccc5n2c34)ccc1O ZINC000095588954 HG Annotated Bother CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc([S@](C)=O)cc3)c2C)C1=O ZINC000095589473 HG Annotated Mild CCOC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3ccc([S@@](C)=O)cc3)c2C)C1=O ZINC000095589474 HG Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(CNCc3ccc4c(c3)OCO4)[nH]c21 ZINC000095590136 HG Annotated Clean NS(=O)(=O)c1cc2nc(-c3cccc([N+](=O)[O-])c3)n3c4ccccc4oc(c1)c23 ZINC000095591030 HG Annotated Bother CN(C)CCn1nc2c3c(c(NCC[C@H]4CCCN4C)ccc31)C(=O)c1ccncc1-2 ZINC000095591408 HG Annotated Clean CN(C)CCn1nc2c3c(c(NCC[C@@H]4CCCN4C)ccc31)C(=O)c1ccncc1-2 ZINC000095591409 HG Annotated Clean Oc1c(Br)cc(Cl)cc1CN1CCC(N2CCC(O)CC2)CC1 ZINC000095591903 HG Annotated Clean O=C(NCCCF)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc1-2 ZINC000095593949 HG Annotated Anodyne O=C(O)[C@H]1CCCN(CCN/N=C/c2ccccc2-c2c(F)cc(F)cc2F)C1 ZINC000095594539 HG Annotated Mild O=C(O)[C@@H]1CCCN(CCN/N=C/c2ccccc2-c2c(F)cc(F)cc2F)C1 ZINC000095594540 HG Annotated Mild N#Cc1sc2nc(N)c(C#N)c(-c3ccccc3I)c2c1N ZINC000095595081 HG Annotated Mild O=C(O)CN1C(=O)/C(=C/C2=Cc3cc(Br)ccc3OC2)SC1=S ZINC000095595235 HG Annotated Clean COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(Cc3ccccc3)nn1)CC2 ZINC000095599482 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095599584 HG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@H]2CO)cc1 ZINC000095599803 HG Annotated Mild N#Cc1cccnc1N1CCN([C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)CC1 ZINC000095599867 HG Annotated Mild N#Cc1cccnc1N1CCN([C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)CC1 ZINC000095599868 HG Annotated Mild Cc1ccccc1CN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095599981 HG Annotated Anodyne Cc1ccccc1CN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000095599982 HG Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000095600269 HG Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 ZINC000095600270 HG Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095600358 HG Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)Oc3ccccc3)OC[C@@H]2C(C)C)cc1 ZINC000095600485 HG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)c1 ZINC000095600602 HG Annotated Anodyne COc1ccc(OC)c(CN2C(=O)CC[C@]2(C)c2nnnn2-c2c(C)cccc2C)c1 ZINC000095600603 HG Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCCC1)C2 ZINC000095600689 HG Annotated Anodyne CC(C)CCN1C(=O)c2ccccc2[C@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095600693 HG Annotated Anodyne CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 ZINC000095600694 HG Annotated Anodyne N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)c1cccnc1 ZINC000095600805 HG Annotated Mild COc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095600818 HG Annotated Anodyne COc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1OC ZINC000095600819 HG Annotated Anodyne CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cccc(OC(F)F)c4)cc32)N=C1N ZINC000095601562 HG Annotated Anodyne CN1C(=O)[C@@]2(CC(C)(C)Oc3ccc(-c4cccc(OC(F)F)c4)cc32)N=C1N ZINC000095601563 HG Annotated Anodyne COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC ZINC000095601600 HG Annotated Reactive COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC ZINC000095601601 HG Annotated Reactive COc1ccc(C(=O)C[C@@H]2OC[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000095601950 HG Annotated Anodyne COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)NC2CC2)cc1OC ZINC000095601955 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095602053 HG Annotated Anodyne O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1CCOc1ccccc1 ZINC000095602069 HG Annotated Anodyne O=C1c2ccccc2[C@H](c2nnnn2Cc2ccccc2)N1CCOc1ccccc1 ZINC000095602070 HG Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095602330 HG Annotated Mild CC[C@@H](C(=O)O)N1Cc2sc(-c3ccn(Cc4ccccc4)n3)cc2S1(=O)=O ZINC000095602796 HG Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccn(Cc4ccccc4)n3)cc2S1(=O)=O ZINC000095602797 HG Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)c1cccnc1 ZINC000095603024 HG Annotated Mild C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(CCC2=CCCCC2)C1=O ZINC000095603431 HG Annotated Mild COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2nnnn2C(C)C)cc1OC ZINC000095603737 HG Annotated Anodyne COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2nnnn2C(C)C)cc1OC ZINC000095603738 HG Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C)cc2)CC1 ZINC000095604042 HG Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccc(C)cc2)CC1 ZINC000095604043 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095604251 HG Annotated Anodyne C#CCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2ccccc2)C1=O ZINC000095604584 HG Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCCC4)[C@H]3C#N)cc2)c1 ZINC000095604646 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@H]2CO)cc1 ZINC000095605459 HG Annotated Mild O=C(O)Cc1sc(/C=C2\NC(=O)CS2)nc1-c1sccc1Br ZINC000095605496 HG Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cnn(C)c4)cc3)cc2S1(=O)=O ZINC000095605615 HG Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4cnn(C)c4)cc3)cc2S1(=O)=O ZINC000095605616 HG Annotated Anodyne N#C[C@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)c1cccnc1 ZINC000095605661 HG Annotated Mild CNCC[C@H](Oc1cccc2c(OS(=O)(=O)O)c(OC)ccc12)c1ccco1 ZINC000095618874 HG Annotated Anodyne in-man CNCC[C@@H](Oc1cccc2c(OS(=O)(=O)O)c(OC)ccc12)c1ccco1 ZINC000095618875 HG Annotated Anodyne in-man COC(=O)c1ccc2c(I)nn(C(=O)OC(C)(C)C)c2c1 ZINC000095642148 HG Annotated Anodyne COC(=O)c1cccc2c(I)nn(C(=O)OC(C)(C)C)c12 ZINC000095642149 HG Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095660947 HG Annotated Clean O=C1[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2nncc2COC[C@@H]2CCCCN12 ZINC000095660968 HG Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095660998 HG Annotated Clean O=C1[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2nncc2COC[C@H]2CCCCN12 ZINC000095661313 HG Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661359 HG Annotated Clean O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 ZINC000095661377 HG Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(Cl)c1 ZINC000095661769 HG Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000095661900 HG Annotated Clean O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095662141 HG Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cnnn2CC[C@@H]1Cc1cccc(Cl)c1 ZINC000095662194 HG Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1cccc(Cl)c1 ZINC000095662424 HG Annotated Anodyne O=C1[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2cc(nn2)COC[C@H]2CCCCN12 ZINC000095662552 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095662559 HG Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(Cl)c1 ZINC000095662718 HG Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(Cl)cc1 ZINC000095662835 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccc(F)cc2)CC1 ZINC000095662926 HG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095663055 HG Annotated Mild O=C1[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2cc(nn2)COC[C@@H]2CCCCN12 ZINC000095663380 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccc(F)cc2)CC1 ZINC000095663820 HG Annotated Anodyne N#C[C@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095663896 HG Annotated Mild O=C1N[C@H](Cc2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(Cl)cc1 ZINC000095664240 HG Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)cc(F)c1)C2 ZINC000095664462 HG Annotated Anodyne O=C(c1ccccn1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1F)C2 ZINC000095664568 HG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@H]23)cc1 ZINC000095664729 HG Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccc(Cl)cc2)C1 ZINC000095664858 HG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095664927 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095664943 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095665098 HG Annotated Mild O=C1[C@@H](Cc2ccc(C(F)(F)F)cc2)CCn2cc(nn2)COC[C@@H]2CCCCN12 ZINC000095665119 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095665471 HG Annotated Anodyne O=[S@](Cc1cn(Cc2ccc(F)cc2)nn1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000095665625 HG Annotated Anodyne O=[S@@](Cc1cn(Cc2ccc(F)cc2)nn1)c1nnc(-c2ccc(Cl)cc2)o1 ZINC000095665627 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C)CC1 ZINC000095666644 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C)CC1 ZINC000095666646 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095666833 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(CC3CCCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095666837 HG Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095667039 HG Annotated Anodyne O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 ZINC000095667044 HG Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095667057 HG Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095667061 HG Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095667065 HG Annotated Anodyne C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@@H](CO)N2 ZINC000095667421 HG Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095667469 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095667478 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095667482 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095667487 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095667597 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095667600 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095667604 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095667613 HG Annotated Mild CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(=O)CC ZINC000095668227 HG Annotated Anodyne N#C[C@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095668428 HG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095668435 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095668438 HG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095668446 HG Annotated Mild O=C(c1ccccn1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N[C@H]2CO ZINC000095668618 HG Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095668653 HG Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095686807 HG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095686808 HG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095686809 HG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095686810 HG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095686811 HG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@@H]1C ZINC000095686812 HG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)CC)cc2OC[C@H]1C ZINC000095686813 HG Annotated Anodyne CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095686827 HG Annotated Anodyne CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@H]1C ZINC000095686828 HG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@H]1C ZINC000095686829 HG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@H]1C ZINC000095686830 HG Annotated Anodyne CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095686831 HG Annotated Anodyne CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)CC)ccc2OC[C@@H]1C ZINC000095686832 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000095720807 HG Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C ZINC000095720810 HG Annotated Anodyne CCCN(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095733320 HG Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095733324 HG Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095733886 HG Annotated Mild CCCN(C)C[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095733900 HG Annotated Mild CCCN(C)C[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095733951 HG Annotated Mild CC(C)(C)OC(=O)NCCC[C@@H](C(=O)NC1CCCCCC1)n1cccc(N)c1=O ZINC000095742500 HG Annotated Anodyne O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1SCCCN12)c1ccccc1 ZINC000095784822 HG Annotated Anodyne COc1ccc([C@H]2C[C@H]3C(I)=C[C@@H]2C(=O)[C@]32CO2)cc1OC ZINC000095784992 HG Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H](CO)N3)cc1 ZINC000095794074 HG Annotated Mild COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCCC2)C3)c1 ZINC000095794115 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095794116 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095794169 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 ZINC000095794171 HG Annotated Anodyne O=C(c1ccccc1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794323 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CC)C23CN(C(=O)c2ccccc2)C3)cc1 ZINC000095794329 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CC)C23CN(C(=O)c2ccccc2)C3)cc1 ZINC000095794330 HG Annotated Anodyne O=C(c1ccccc1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794378 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(=O)CC ZINC000095794492 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794544 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794546 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794548 HG Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095794550 HG Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095794552 HG Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095794554 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095794849 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccc(F)cc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795113 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795115 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795117 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095795118 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@@H]23)cc1 ZINC000095795119 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccc(F)cc4)C[C@H]23)cc1 ZINC000095795120 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795129 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 ZINC000095795130 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795131 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO ZINC000095795133 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795134 HG Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 ZINC000095795135 HG Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095795160 HG Annotated Anodyne COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)cc1 ZINC000095795544 HG Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095795546 HG Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095795549 HG Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H](CO)N12 ZINC000095795749 HG Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@@H]2[C@H](c3ccc(-c4cccnc4)cc3)[C@@H](CO)N12 ZINC000095795750 HG Annotated Anodyne O=C1CN(Cc2ccc(F)cc2)C[C@H]2[C@@H](c3ccc(-c4cccnc4)cc3)[C@H](CO)N12 ZINC000095795751 HG Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@@H](CO)[C@H](c4ccc(-c5cccnc5)cc4)[C@@H]3C2)cc1 ZINC000095795752 HG Annotated Anodyne Cc1ccc(CN2CC(=O)N3[C@H](CO)[C@@H](c4ccc(-c5cccnc5)cc4)[C@H]3C2)cc1 ZINC000095795753 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795814 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095795815 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795840 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795841 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095795842 HG Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095795843 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccc(Cl)cc2)C1 ZINC000095796139 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(Cc2ccccc2F)CC1 ZINC000095796153 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(Cc2ccccc2F)CC1 ZINC000095796154 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(=O)CC ZINC000095796244 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(=O)CC ZINC000095796245 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)CC ZINC000095796246 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 ZINC000095796345 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccc(Cl)c1 ZINC000095796347 HG Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cccc(Cl)c1 ZINC000095796395 HG Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)cc(F)c1)C2 ZINC000095796409 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095796444 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095796465 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095796466 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095796467 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccc(F)cc2)C3)cc1 ZINC000095796489 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(C(=O)c2ccc(F)cc2)C3)cc1 ZINC000095796490 HG Annotated Anodyne O=C(Nc1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095796515 HG Annotated Anodyne O=C(Nc1ccccc1F)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796516 HG Annotated Anodyne O=C(Nc1ccccc1F)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796517 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095796537 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CCN(C)CC1 ZINC000095796538 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)c2ccc(F)cc2)C3)cc1 ZINC000095796552 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)NC2CCCCC2)C3)cc1 ZINC000095796596 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)C23CN(C(=O)NC2CCCCC2)C3)cc1 ZINC000095796597 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1 ZINC000095796716 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C)C1 ZINC000095796717 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)CC ZINC000095796789 HG Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095796793 HG Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796794 HG Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095796795 HG Annotated Anodyne COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@@H]3CO)cc2)c1 ZINC000095797026 HG Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797097 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797098 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095797099 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095797100 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO ZINC000095797101 HG Annotated Anodyne COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@@H]2CO)cc1 ZINC000095797209 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CCCC4)[C@H]3CO)cc2)c1 ZINC000095797343 HG Annotated Mild O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797578 HG Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCCC2)C3)c1 ZINC000095797619 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797735 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797736 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095797737 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797738 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095797739 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095797740 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)c1 ZINC000095798352 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095798391 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)cc1 ZINC000095798396 HG Annotated Mild COc1cccc(CN2[C@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCCC2)C3)c1 ZINC000095798401 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)c1 ZINC000095798416 HG Annotated Mild O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])s1 ZINC000095808355 HG Annotated Reactive COc1cc(Br)c(/C=N/NC(=O)CCCCCCC(=O)O)cc1OC ZINC000095808427 HG Annotated Reactive COc1cc(Br)cc(/C=N/NC(=O)CCCCCCC(=O)O)c1O ZINC000095808655 HG Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2 ZINC000095808711 HG Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(Br)cc(OC)c1O ZINC000095808712 HG Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(O)ccc1[N+](=O)[O-] ZINC000095809383 HG Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1cc(OC)c(O)cc1Br ZINC000095809418 HG Annotated Reactive O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc([N+](=O)[O-])c(O)c1 ZINC000095809773 HG Annotated Reactive O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095864446 HG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@H]2CO)cc1 ZINC000095864520 HG Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccc(F)c1)CC31CN(C)C1 ZINC000095864729 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccc(F)cc1)CC31CN(C)C1 ZINC000095865044 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccc(F)cc1)CC31CN(C)C1 ZINC000095865045 HG Annotated Anodyne C#Cc1ccc([C@H]2C=C(C(=O)NC3CC3)O[C@@H](OCc3ccc(CO)cc3)C2)cc1 ZINC000095866171 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)c1 ZINC000095866472 HG Annotated Mild COc1cccc(CN2[C@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCC2)C3)c1 ZINC000095866488 HG Annotated Anodyne O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095866603 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)c1 ZINC000095866672 HG Annotated Mild O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095866756 HG Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCCC2)C3)c1 ZINC000095866793 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)c1 ZINC000095866829 HG Annotated Mild COc1cccc(CN2[C@@H](CO)[C@@H](c3ccccc3)C23CN(C(=O)C2CCC2)C3)c1 ZINC000095866837 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccccc2[C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)c1 ZINC000095866901 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)c1 ZINC000095866946 HG Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1cccc(F)c1)CC31CN(C)C1 ZINC000095867460 HG Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(Cc2ccc(F)cc2)CC1 ZINC000095867516 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2ccccc2Cl)C1 ZINC000095867546 HG Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2ccccc2Cl)C1 ZINC000095867625 HG Annotated Anodyne N#C[C@H]1[C@@H](c2ccccc2C2=CCCC2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095867914 HG Annotated Mild O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1nccs1 ZINC000095867924 HG Annotated Anodyne C/C=C/c1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cccc(F)c1)[C@H](CO)N2 ZINC000095867937 HG Annotated Anodyne COC[C@@]12C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3[C@@H](CO1)/C2=C\c1ccccc1 ZINC000095868010 HG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)Nc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095868762 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095868763 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4)C[C@@H]23)cc1 ZINC000095868764 HG Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869159 HG Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@@H]1CO ZINC000095869191 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCCC4)[C@H]3C#N)cc2)c1 ZINC000095869192 HG Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO ZINC000095869239 HG Annotated Anodyne COc1cccc(C#Cc2ccc([C@H]3[C@H](C#N)N(C(=O)C4CCCC4)[C@H]3CO)cc2)c1 ZINC000095869244 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccccc2[C@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)c1 ZINC000095869248 HG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@@H]1CO ZINC000095869258 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095869289 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCCC3)[C@H]2CO)cc1 ZINC000095869295 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@H]3CO)cc2)c1 ZINC000095869332 HG Annotated Mild COc1cccc(CN2[C@H](CO)[C@H](c3ccccc3)C23CN(C(=O)C2CCC2)C3)c1 ZINC000095869340 HG Annotated Anodyne CN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)C2CCCC2)[C@H]1CO ZINC000095869365 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)cc1 ZINC000095869366 HG Annotated Mild CN1c2ccc(C#Cc3cccnc3)cc2[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H]1CO ZINC000095869391 HG Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCCC4)[C@@H]3CO)cc2)c1 ZINC000095869420 HG Annotated Mild O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 ZINC000095869426 HG Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 ZINC000095869430 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871299 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095871300 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871301 HG Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871302 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Nc4ccccc4F)CC(=O)N3[C@H]2CO)cc1 ZINC000095871613 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095871647 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095871648 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Nc4ccccc4F)C[C@@H]23)cc1 ZINC000095871649 HG Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3C)cc1)[C@H](CO)N2C(=O)CC ZINC000095871720 HG Annotated Anodyne N#C[C@@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095871805 HG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095871806 HG Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095871808 HG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095871810 HG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2ccc(F)cc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095871812 HG Annotated Mild O=C(C1CCCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1nccs1 ZINC000095872002 HG Annotated Anodyne CCN(C)C[C@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N(C(C)C)[C@@H]1C ZINC000095872170 HG Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C(=O)O)cccc2C1=O ZINC000095872320 HG Annotated Anodyne CC(C)N1C[C@@H](C)[C@H](CN(C)C(=O)OC(C)(C)C)Oc2c(C(=O)O)cccc2C1=O ZINC000095872378 HG Annotated Anodyne O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873251 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095873252 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873253 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095873254 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873255 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095873256 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095873257 HG Annotated Mild O=C(C1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095873258 HG Annotated Mild OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873370 HG Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095873371 HG Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873372 HG Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873373 HG Annotated Anodyne OC[C@H]1[C@@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN21 ZINC000095873374 HG Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873375 HG Annotated Anodyne OC[C@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873376 HG Annotated Anodyne OC[C@@H]1[C@H](c2ccc(-c3cccnc3)cc2)[C@@H]2CN(CC3CCOCC3)CCCCN12 ZINC000095873377 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095874208 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H]2CO ZINC000095874209 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095874210 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 ZINC000095874211 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095874212 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095874213 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@H]2C1 ZINC000095874214 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C)c4)cc3)[C@@H]2C1 ZINC000095874215 HG Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@H]23)cc1 ZINC000095874310 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@H]23)cc1 ZINC000095874311 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874312 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874313 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874314 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(Cc4cncnc4)C[C@@H]23)cc1 ZINC000095874315 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4cncnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874316 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(Cc4cncnc4)CCCCN3[C@H]2CO)cc1 ZINC000095874317 HG Annotated Mild OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H]2CN(Cc3cncnc3)CCCCN12 ZINC000095874383 HG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874600 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874601 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874602 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874603 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874604 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095874605 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095874606 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095874607 HG Annotated Mild C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874663 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@H]23)cc1 ZINC000095874664 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874665 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@H]23)cc1 ZINC000095874666 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874667 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4ccncc4)C[C@@H]23)cc1 ZINC000095874668 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874669 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccncc4)CCCCN3[C@H]2CO)cc1 ZINC000095874670 HG Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095874689 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095874690 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874691 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095874692 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095874693 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095874694 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874695 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095874696 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874967 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095874968 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874969 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095874970 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874971 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4F)cc3)[C@@H]2C1 ZINC000095874972 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4F)cc3)[C@H]2C1 ZINC000095874973 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3F)cc1)[C@@H]2CO ZINC000095874974 HG Annotated Mild COCC#Cc1ccc([C@@H]2[C@H]3CN(Cc4ccccc4F)CCCCN3[C@H]2CO)cc1 ZINC000095875198 HG Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(Cc4ccccc4F)C[C@H]23)cc1 ZINC000095875199 HG Annotated Mild O=C(C1CCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095875200 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095875201 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095875202 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095875203 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095875204 HG Annotated Anodyne O=C(C1CCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095875205 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095875467 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095875468 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@@H]2C1 ZINC000095875469 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H]2CO ZINC000095875470 HG Annotated Anodyne COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccc(C)cc4)cc3)[C@H]2C1 ZINC000095875471 HG Annotated Anodyne CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095875508 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095875509 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@H]2C1 ZINC000095875510 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095875511 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095875512 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095875513 HG Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C#N)c4)cc3)[C@@H]2C1 ZINC000095875514 HG Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H]2CO ZINC000095875515 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875739 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875740 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875741 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095875742 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095875743 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CC4CCCC4)cc3)[C@@H]2C1 ZINC000095875744 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CC3CCCC3)cc1)[C@@H]2CO ZINC000095875745 HG Annotated Mild O=C(C1CC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CC4CCCC4)cc3)[C@H]2C1 ZINC000095875746 HG Annotated Mild OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877206 HG Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(Br)cc2)[C@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877207 HG Annotated Anodyne OC[C@H]1[C@H](c2ccc(Br)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 ZINC000095877208 HG Annotated Anodyne OC[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877209 HG Annotated Anodyne OC[C@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877210 HG Annotated Anodyne OC[C@@H]1[C@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877211 HG Annotated Anodyne OC[C@H]1[C@@H](c2ccc(Br)cc2)[C@H]2CN(Cc3ccccn3)CCCCN21 ZINC000095877212 HG Annotated Anodyne OC[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H]2CN(Cc3ccccn3)CCCCN12 ZINC000095877213 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095877220 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095877221 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095877222 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095877223 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095877224 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@@H]23)cc1 ZINC000095877225 HG Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)Cc4cccnc4)C[C@H]23)cc1 ZINC000095877226 HG Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4cccnc4)CCCCN3[C@H]2CO)cc1 ZINC000095877227 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3)c1 ZINC000095877370 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877371 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3)c1 ZINC000095877372 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3)c1 ZINC000095877373 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)c1 ZINC000095877416 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H](CO)N3)c1 ZINC000095877417 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)c1 ZINC000095877418 HG Annotated Anodyne CN(C)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3)c1 ZINC000095877419 HG Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)cc1 ZINC000095877434 HG Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3)cc1 ZINC000095877435 HG Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@@H](CO)N3)cc1 ZINC000095877436 HG Annotated Mild COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)cc1 ZINC000095877629 HG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)cc1 ZINC000095877630 HG Annotated Anodyne COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)cc1 ZINC000095877631 HG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCOCC1)[C@H](CO)N2 ZINC000095877697 HG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CCOCC1)[C@@H](CO)N2 ZINC000095877698 HG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@@H]1[C@@H](CCN1C(=O)C1CCOCC1)[C@H](CO)N2 ZINC000095877699 HG Annotated Anodyne COc1ccccc1-c1ccc2c(c1)[C@H]1[C@H](CCN1C(=O)C1CCOCC1)[C@@H](CO)N2 ZINC000095877700 HG Annotated Anodyne O=C(c1ccccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@@H]21 ZINC000095877705 HG Annotated Mild O=C(c1ccccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccccc4)cc3[C@H]21 ZINC000095877706 HG Annotated Mild CCCNC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3ccccc3)ccc1N(C)[C@H]2CO ZINC000095877748 HG Annotated Mild CCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@@H]21 ZINC000095877887 HG Annotated Anodyne CCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@@H]21 ZINC000095877888 HG Annotated Anodyne CCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C(=O)N(C)C)cc3)ccc1N[C@H]2CO ZINC000095877889 HG Annotated Anodyne CCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@H]21 ZINC000095877890 HG Annotated Anodyne CCC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3ccccc3OC)ccc1N(C)[C@H]2CO ZINC000095877894 HG Annotated Mild O=C(c1cnccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 ZINC000095877895 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877896 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 ZINC000095877897 HG Annotated Anodyne O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 ZINC000095878114 HG Annotated Anodyne O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO ZINC000095878115 HG Annotated Anodyne O=C(c1ccccc1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N[C@H]2CO ZINC000095878247 HG Annotated Mild O=C(c1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095878248 HG Annotated Mild O=C(c1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@H]21 ZINC000095878249 HG Annotated Mild O=C(c1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095878250 HG Annotated Mild C/C=C/c1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1ccccc1F)[C@H](CO)N2 ZINC000095878597 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3F)ccc1N[C@H]2CO ZINC000095878610 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@H]21 ZINC000095878611 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878612 HG Annotated Anodyne O=C(c1cnccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4F)cc3[C@@H]21 ZINC000095878613 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)c2cnccn2)[C@@H](CO)N3)c1 ZINC000095878700 HG Annotated Anodyne COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cnccn2)[C@H](CO)N3)c1 ZINC000095878701 HG Annotated Anodyne CC(C)NC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccccc3)ccc1N(C)[C@@H]2CO ZINC000095878705 HG Annotated Mild CC(C)NC(=O)N1CC[C@H]2[C@@H]1c1cc(C#Cc3ccccc3)ccc1N(C)[C@H]2CO ZINC000095878706 HG Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1ccccc1)[C@@H](CO)N2C ZINC000095878759 HG Annotated Mild O=C(O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 ZINC000095880288 HG Annotated Anodyne O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCCCC1 ZINC000095880289 HG Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893323 HG Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095893324 HG Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893325 HG Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095893326 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893354 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893355 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893356 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893357 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)c4cccnc4)C[C@@H]32)c1 ZINC000095893370 HG Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)c4cccnc4)C[C@@H]32)c1 ZINC000095893371 HG Annotated Anodyne COc1cccc(CN2[C@@H]3CN(C(=O)c4cccnc4)c4ccccc4[C@@H]3[C@@H]2CO)c1 ZINC000095893372 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)c4cccnc4)C[C@H]32)c1 ZINC000095893373 HG Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095893420 HG Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095893421 HG Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095893422 HG Annotated Anodyne O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095893423 HG Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893451 HG Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893452 HG Annotated Anodyne O=C(C1CCCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1F ZINC000095893453 HG Annotated Anodyne O=C(C1CCCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1F ZINC000095893454 HG Annotated Anodyne O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893484 HG Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893485 HG Annotated Anodyne O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893486 HG Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095893487 HG Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893527 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893528 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893529 HG Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893530 HG Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893531 HG Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893532 HG Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893533 HG Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 ZINC000095893534 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893577 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095893578 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095893579 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095893580 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095893587 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893588 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893589 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095893788 HG Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cc(F)ccc1F ZINC000095893789 HG Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095893790 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095893791 HG Annotated Anodyne COc1ccccc1CN1[C@@H]2CN(C(=O)c3ccncc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893843 HG Annotated Anodyne COc1ccccc1CN1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095893844 HG Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095893845 HG Annotated Anodyne COc1ccccc1CN1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@H]21 ZINC000095893846 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@H]32)c1 ZINC000095893871 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@@H]32)c1 ZINC000095893872 HG Annotated Anodyne COc1cccc(CN2[C@@H]3CN(C(=O)CC(F)(F)F)c4ccccc4[C@@H]3[C@@H]2CO)c1 ZINC000095893873 HG Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@@H]32)c1 ZINC000095893874 HG Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(F)cc3)C[C@@H]21 ZINC000095893875 HG Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)Nc3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893876 HG Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(F)cc3)C[C@@H]21 ZINC000095893877 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893884 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893885 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F ZINC000095893971 HG Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894037 HG Annotated Anodyne O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095894071 HG Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894084 HG Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F ZINC000095894086 HG Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894105 HG Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894106 HG Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1 ZINC000095894108 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095894137 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095894138 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095894139 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095894140 HG Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)Nc3cccc(F)c3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894176 HG Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cccc(F)c3)C[C@H]21 ZINC000095894177 HG Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000095894178 HG Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cccc(F)c3)C[C@@H]21 ZINC000095894179 HG Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894180 HG Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894181 HG Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894182 HG Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 ZINC000095894183 HG Annotated Anodyne COc1ccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@H]32)cc1 ZINC000095894223 HG Annotated Anodyne COc1ccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@@H]32)cc1 ZINC000095894224 HG Annotated Anodyne COc1ccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)CC(F)(F)F)C[C@@H]32)cc1 ZINC000095894225 HG Annotated Anodyne COc1ccc(CN2[C@@H]3CN(C(=O)CC(F)(F)F)c4ccccc4[C@@H]3[C@@H]2CO)cc1 ZINC000095894226 HG Annotated Anodyne COc1cccc(CN2[C@@H]3CN(C(=O)c4ccncc4)c4ccccc4[C@@H]3[C@@H]2CO)c1 ZINC000095894283 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@@H]3c4ccccc4N(C(=O)c4ccncc4)C[C@@H]32)c1 ZINC000095894284 HG Annotated Anodyne COc1cccc(CN2[C@@H](CO)[C@@H]3c4ccccc4N(C(=O)c4ccncc4)C[C@@H]32)c1 ZINC000095894285 HG Annotated Anodyne COc1cccc(CN2[C@H](CO)[C@H]3c4ccccc4N(C(=O)c4ccncc4)C[C@H]32)c1 ZINC000095894286 HG Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1cocn1 ZINC000095894306 HG Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cocn1 ZINC000095894307 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095894378 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 ZINC000095894379 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095894380 HG Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 ZINC000095894381 HG Annotated Anodyne CC(C)NC(=O)N1[C@@H]2CN(C(=O)Nc3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894402 HG Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(F)cc3)C[C@@H]21 ZINC000095894403 HG Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3ccc(F)cc3)C[C@H]21 ZINC000095894404 HG Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3ccc(F)cc3)C[C@@H]21 ZINC000095894405 HG Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894432 HG Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894433 HG Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894434 HG Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894435 HG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095894447 HG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894448 HG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 ZINC000095894449 HG Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 ZINC000095894450 HG Annotated Anodyne O=C(c1cnccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1Cl ZINC000095894483 HG Annotated Anodyne O=C(c1cnccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl ZINC000095894484 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894641 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894642 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1F ZINC000095894643 HG Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1F ZINC000095894644 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894693 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095894694 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894695 HG Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095894696 HG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095894705 HG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095894706 HG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095894707 HG Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095894708 HG Annotated Anodyne N#C[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896033 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896034 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896035 HG Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896036 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896037 HG Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896038 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896039 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H](CO)N1S(=O)(=O)c1ccccc1 ZINC000095896040 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896093 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896094 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095896095 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@H]2CO)cc1 ZINC000095896096 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896097 HG Annotated Mild COc1ccccc1C#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)C3CCC3)[C@@H]2CO)cc1 ZINC000095896098 HG Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@@H]3CO)cc2)c1 ZINC000095896106 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896107 HG Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896108 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896109 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCC4)[C@H]3C#N)cc2)c1 ZINC000095896110 HG Annotated Mild COc1cccc(C#Cc2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@@H]3CO)cc2)c1 ZINC000095896111 HG Annotated Mild COc1cccc(C#Cc2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCC4)[C@H]3C#N)cc2)c1 ZINC000095896112 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896126 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCC4)[C@H]3C#N)cc2)c1 ZINC000095896127 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896128 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896129 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@@H]3CO)cc2)c1 ZINC000095896130 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)c1 ZINC000095896131 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@@H]3CO)cc2)c1 ZINC000095896132 HG Annotated Mild CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)C4CCC4)[C@H]3C#N)cc2)c1 ZINC000095896133 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)cc1 ZINC000095896180 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@@H]3CO)cc2)cc1 ZINC000095896181 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)cc1 ZINC000095896182 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N(C(=O)C4CCC4)[C@H]3C#N)cc2)cc1 ZINC000095896183 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)cc1 ZINC000095896184 HG Annotated Mild CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)C4CCC4)[C@H]3CO)cc2)cc1 ZINC000095896185 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCCCC1 ZINC000095896221 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCCCC1 ZINC000095896222 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896254 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896255 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896256 HG Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896257 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896258 HG Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CC3CCCCC3)cc2)[C@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896259 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896260 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccccn1 ZINC000095896261 HG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897587 HG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897588 HG Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897589 HG Annotated Mild N#C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897590 HG Annotated Mild N#C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897591 HG Annotated Mild N#C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897592 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000095897593 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1S(=O)(=O)c1cccc(F)c1 ZINC000095897654 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)[C@@H](CO)N1C(=O)C1CCOCC1 ZINC000095897740 HG Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N(S(=O)(=O)c3cccc(F)c3)[C@H]2C#N)cc1 ZINC000095897802 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@@H]2CO)cc1 ZINC000095897803 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](C#N)N(S(=O)(=O)c3cccc(F)c3)[C@H]2CO)cc1 ZINC000095897804 HG Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N(S(=O)(=O)c3cccc(F)c3)[C@H]2C#N)cc1 ZINC000095897805 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@@H](CO)N1C(=O)NC1CCCCC1 ZINC000095897875 HG Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)c1cccnc1 ZINC000095898292 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)c1cccnc1 ZINC000095898293 HG Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@H](CO)N1C(=O)c1cccnc1 ZINC000095898294 HG Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#Cc3ccccc3F)cc2)[C@@H](CO)N1C(=O)c1cccnc1 ZINC000095898295 HG Annotated Mild COc1cccc(-c2ccc([C@H]3[C@@H](C#N)N(C(=O)Cc4ccncc4)[C@@H]3CO)cc2)c1 ZINC000095898306 HG Annotated Mild COc1cccc(-c2ccc([C@H]3[C@H](C#N)N(C(=O)Cc4ccncc4)[C@H]3CO)cc2)c1 ZINC000095898307 HG Annotated Mild COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)Cc4ccncc4)[C@H]3C#N)cc2)c1 ZINC000095898308 HG Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@@H](C#N)N(C(=O)Cc4ccncc4)[C@@H]3CO)cc2)c1 ZINC000095898309 HG Annotated Mild O=C1N[C@@H](Cc2ccc(Cl)cc2)COCc2cnnn2CC[C@H]1c1ccccc1 ZINC000095898368 HG Annotated Anodyne O=C1N[C@@H](Cc2ccc(Cl)cc2)COCc2cnnn2CC[C@@H]1c1ccccc1 ZINC000095898369 HG Annotated Anodyne O=C1N[C@H](Cc2ccc(Cl)cc2)COCc2cnnn2CC[C@H]1c1ccccc1 ZINC000095898370 HG Annotated Anodyne O=C1N[C@H](Cc2ccc(Cl)cc2)COCc2cnnn2CC[C@@H]1c1ccccc1 ZINC000095898372 HG Annotated Anodyne O=C1N[C@@H](Cc2cccc(Cl)c2)COCc2cnnn2CC[C@H]1c1ccccc1 ZINC000095898373 HG Annotated Anodyne O=C1N[C@@H](Cc2cccc(Cl)c2)COCc2cnnn2CC[C@@H]1c1ccccc1 ZINC000095898374 HG Annotated Anodyne O=C1N[C@H](Cc2cccc(Cl)c2)COCc2cnnn2CC[C@H]1c1ccccc1 ZINC000095898376 HG Annotated Anodyne O=C1N[C@H](Cc2cccc(Cl)c2)COCc2cnnn2CC[C@@H]1c1ccccc1 ZINC000095898378 HG Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901738 HG Annotated Clean C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901739 HG Annotated Clean C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901740 HG Annotated Clean C[C@@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901741 HG Annotated Clean C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901742 HG Annotated Clean C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901743 HG Annotated Clean C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901744 HG Annotated Clean C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(N(C)C)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901745 HG Annotated Clean C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc(N(C)C)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901746 HG Annotated Clean O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903244 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903245 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903246 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903248 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903249 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903250 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903253 HG Annotated Anodyne O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903254 HG Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903393 HG Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903394 HG Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903395 HG Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903396 HG Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903397 HG Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 ZINC000095903398 HG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095904657 HG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095904658 HG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095904659 HG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095904660 HG Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095904661 HG Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095904662 HG Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)Nc1ccccc1 ZINC000095904663 HG Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)Nc1ccccc1 ZINC000095904664 HG Annotated Anodyne C=C1COC(=O)[C@@]12C[C@]1(C)[C@@H]([C@@H](OC(=O)/C=C/SC)CC[C@H]1C)[C@@H]2OC(C)=O ZINC000095909719 HG Annotated Mild in-vitro biogenic COc1cc([C@H]2COCO[C@H]2c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O ZINC000095909800 HG Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O ZINC000095910457 HG Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000095910458 HG Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]3O ZINC000095910459 HG Annotated Mild in-vitro biogenic COc1cc([C@@H]2Oc3c(OC)cc(CCCOC(C)=O)cc3[C@H]2CO)ccc1O ZINC000095910560 HG Annotated Anodyne in-vitro biogenic COc1cc(C(=O)O[C@H]2C[C@](C)(O)C=C[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O ZINC000095910713 HG Annotated Anodyne in-vitro biogenic COc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)O[C@@H](O)[C@H]23)cc1OC ZINC000095912019 HG Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/COc1ccc([C@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1 ZINC000095912064 HG Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]2[C@@H](OC(C)=O)C[C@]1(O)C3 ZINC000095912422 HG Annotated Mild in-vitro biogenic COc1cc(C(=O)O[C@H]2CC(C)=C[C@H](O)[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000095912660 HG Annotated Anodyne in-vitro biogenic COc1cc(C(=O)O[C@H]2C=C(C)[C@H](O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000095912661 HG Annotated Anodyne in-vitro biogenic COc1cc(C(=O)O[C@H]2C=C(C)[C@@H](O)C[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O ZINC000095912715 HG Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](C(C)=O)[C@@H]1OC(=O)[C@@]2(C)CCC[C@](C)(C(=O)CCc3ccoc3)[C@@H]12 ZINC000095912782 HG Annotated Anodyne in-vitro biogenic C=C1C[C@]23CC[C@H]1C[C@H]2[C@]12C=N[C@@H](O)[C@](C)(CCC1)[C@H]2[C@H](OC(C)=O)[C@H]3OC(C)=O ZINC000095918725 HG Annotated Mild in-vitro biogenic C[C@H]1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(NO)c4s3)CC2)O1 ZINC000095920593 HG Annotated Anodyne C=CNC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)OC=C)C1 ZINC000095920622 HG Annotated Anodyne O=C(O)CC[C@H]1COc2c(ccc(/C=C3C(=N/O)/Cc4ccccc4/3)c2C(=O)O)O1 ZINC000095920884 HG Annotated Mild NCCCCCC(=O)N[C@H]1Cc2ccccc2/C1=C\c1ccc2c(c1C(=O)O)OCO2 ZINC000095920886 HG Annotated Anodyne O=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2[nH]1 ZINC000095920893 HG Annotated Anodyne N[C@H]1CCN(c2nc(Sc3cnc4nccnc4c3)nc3[nH]c4ccccc4c23)C1 ZINC000095920909 HG Annotated Anodyne CC[C@H]1CCC[C@H](O)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000095921034 HG Annotated Mild COc1ccc(-c2cc(C(=O)N[C@@H](CO)Cc3cccc(C#N)c3)co2)cc1OC ZINC000095921331 HG Annotated Mild CC/C(=C/C(=O)N1CC[C@@H](N(Cc2noc(CC)n2)C(C)=O)C1)c1ccc(C)cc1 ZINC000095973797 HG Annotated Anodyne CC/C(=C/C(=O)N1CC[C@H](N(Cc2noc(CC)n2)C(C)=O)C1)c1ccc(C)cc1 ZINC000095973798 HG Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 ZINC000096018980 HG Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)C3CCCCC3)C2)O1 ZINC000096018987 HG Annotated Anodyne CCN(CC)C(=O)CC[C@@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096018997 HG Annotated Anodyne CCN(CC)C(=O)CC[C@H]1CC[C@]2(CCCN(S(=O)(=O)c3ccccc3)C2)O1 ZINC000096019052 HG Annotated Anodyne CC(C)(C)OC(=O)NCc1cc2c(cc1/C=C/S(=O)(=O)NC1CCCC1)OCO2 ZINC000096019095 HG Annotated Anodyne CCCCNS(=O)(=O)/C=C/c1cc2c(cc1CNC(=O)OC(C)(C)C)OCO2 ZINC000096019097 HG Annotated Anodyne CN1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCCC3)ccc2S1(=O)=O ZINC000096019363 HG Annotated Anodyne CCN1Cc2nnn(Cc3ccccc3)c2-c2cc(N3CCCC3)ccc2S1(=O)=O ZINC000096019365 HG Annotated Anodyne CC(C)N1Cc2nnn(Cc3ccc(F)cc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019382 HG Annotated Anodyne C#CCCN([C@H](C(=O)OC)[C@H](C)CC)S(=O)(=O)c1ccccc1Br ZINC000096019421 HG Annotated Anodyne C#CCCN([C@H](C(=O)OC)[C@@H](C)CC)S(=O)(=O)c1ccccc1Br ZINC000096019423 HG Annotated Anodyne CC(C)(C)N1Cc2nnn(Cc3ccccc3)c2-c2cc(F)ccc2S1(=O)=O ZINC000096019908 HG Annotated Anodyne C#CCCN([C@@H](CC(C)C)C(=O)OC)S(=O)(=O)c1ccccc1Br ZINC000096019950 HG Annotated Anodyne C#CCCCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)c1ccccc1Br ZINC000096019960 HG Annotated Anodyne C=CC(C)(C)c1[nH]c2c3c(ccc2c1C[C@@H]1NC(=O)[C@H](C)NC1=O)OC(C)(C)C=C3 ZINC000096086102 HG Annotated Mild N[C@@]1(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2C[C@@H](OC(=O)CCC(=O)O)[C@@H]1C2 ZINC000096086566 HG Annotated Anodyne in-vitro N[C@@]1(C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]2C[C@H](OC(=O)CCC(=O)O)[C@@H]1C2 ZINC000096086567 HG Annotated Anodyne in-vitro CC(=O)/C=C1/C[C@@]2(O)Cc3c(c(O)c4c(O)cc(O)cc4c3CC=C(C)C)C(=O)[C@H]2O1 ZINC000096095202 HG Annotated Mild in-vitro CC(=O)/C=C1/C[C@]2(O)Cc3c(c(O)c4c(O)cc(O)cc4c3CC=C(C)C)C(=O)[C@H]2O1 ZINC000096095203 HG Annotated Mild in-vitro CC(=O)/C=C1/C[C@@]2(O)Cc3c(c(O)c4c(O)cc(O)cc4c3CC=C(C)C)C(=O)[C@@H]2O1 ZINC000096095204 HG Annotated Mild in-vitro CC(=O)/C=C1/C[C@]2(O)Cc3c(c(O)c4c(O)cc(O)cc4c3CC=C(C)C)C(=O)[C@@H]2O1 ZINC000096095205 HG Annotated Mild in-vitro COc1ccc2c(c1)CC[C@@]2(Cc1cc([N+](=O)[O-])ccc1OC)c1cn(C)c(N)n1 ZINC000096168402 HG Annotated Bother COc1ccc2c(c1)CC[C@]2(Cc1cc([N+](=O)[O-])ccc1OC)c1cn(C)c(N)n1 ZINC000096168403 HG Annotated Bother CC(C)CCS(=O)(=O)[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168524 HG Annotated Anodyne CCCN(C)C(=O)O[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168538 HG Annotated Anodyne CCCCOC[C@]1(O)C[C@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 ZINC000096168560 HG Annotated Anodyne Nc1ncc2cc(-c3nccnc3OC3CN(c4ccc5ccccc5n4)C3)ccc2n1 ZINC000096168824 HG Annotated Anodyne CNC(=O)N(C)/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169117 HG Annotated Reactive C/C(=N\N1CCOC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169118 HG Annotated Mild CCNC(=S)N/N=C(\C)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169122 HG Annotated Mild O=C1[C@H]2C[C@](O)(COCC(F)(F)F)C[C@H]2CN1c1ccc(OC(F)(F)F)cc1 ZINC000096169529 HG Annotated Anodyne COc1ccc(-c2cccn3nc(Cc4ccc(N5CCOCC5)cc4)nc23)cn1 ZINC000096169537 HG Annotated Anodyne COc1ccc(Cc2nc3c(Nc4ccccc4S(C)(=O)=O)cccn3n2)cc1 ZINC000096169573 HG Annotated Anodyne Cn1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1=O ZINC000096170145 HG Annotated Anodyne C/C(=N\OCCO)c1ccc2ncc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170313 HG Annotated Mild C/C(=N\OCCF)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170361 HG Annotated Mild C/C(=N\OCCO)c1ccc2ncc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170388 HG Annotated Mild C[C@H](O)CSc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000096170627 HG Annotated Anodyne C[C@H](CO)Sc1nc(Nc2ccc([S@@](C)(=N)=O)cc2)ncc1Br ZINC000096170632 HG Annotated Anodyne CSCCOc1cnc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 ZINC000096172040 HG Annotated Anodyne C[C@@]1(c2cccc(CC(=O)c3cnc(OCC(F)F)cn3)c2)CCSC(N)=N1 ZINC000096172044 HG Annotated Anodyne CC#CCCOc1cnc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)cn1 ZINC000096172049 HG Annotated Mild CCN(CC)CCCCCCNc1cc(-n2[nH]cc(-c3cccnc3)c2=O)ncn1 ZINC000096172352 HG Annotated Anodyne Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172458 HG Annotated Anodyne Cc1ccnc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 ZINC000096172459 HG Annotated Anodyne Cc1nccc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172472 HG Annotated Anodyne Cc1ncc(F)c(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 ZINC000096172477 HG Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(Nc1ncncc1F)=NC2 ZINC000096172479 HG Annotated Anodyne Oc1cc(/C=C/C(=S)NCc2ccc(O)c(O)c2O)cc(Br)c1O ZINC000096172816 HG Annotated Clean C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3ncc(Br)cn3)C2)cc1 ZINC000096172917 HG Annotated Anodyne C[C@H](CC(=O)N(C)C)c1ccc(OC2CN(c3nccc(C(F)(F)F)n3)C2)cc1 ZINC000096172918 HG Annotated Anodyne CS(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(N)n2)c1F ZINC000096174571 HG Annotated Anodyne CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cccc(NS(C)(=O)=O)c2Cl)[nH]1 ZINC000096174576 HG Annotated Anodyne CS(=O)(=O)Nc1cc(F)cc(-c2[nH]c(C3CC3)nc2-c2ccnc(N)n2)c1Cl ZINC000096174581 HG Annotated Anodyne OCCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1 ZINC000096175061 HG Annotated Anodyne CC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN(CCO)CC1 ZINC000096175062 HG Annotated Anodyne COc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1 ZINC000096175101 HG Annotated Anodyne COC1(COc2cccc3ccc(-c4nnc5cc(C)ccn45)nc23)CCNCC1 ZINC000096175116 HG Annotated Anodyne CC(C)(CNC(=O)CF)COc1cccc2ccc(-c3nnc4ccccn34)nc12 ZINC000096175126 HG Annotated Anodyne CN(C)Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@H]3CC[C@@H]2N3)cc1 ZINC000096175138 HG Annotated Anodyne CN(C)Cc1ccc(S(=O)(=O)c2ccc3c(c2)c2c(n3C)C[C@@H]3CC[C@H]2N3)cc1 ZINC000096175139 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cncc(Cl)c2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175311 HG Annotated Anodyne COc1cc(S(=O)(=O)c2cncc(Cl)c2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175312 HG Annotated Anodyne COc1cc(S(=O)(=O)n2ncc3ccccc32)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 ZINC000096175319 HG Annotated Anodyne COc1cc(S(=O)(=O)n2ncc3ccccc32)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 ZINC000096175320 HG Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3ncn([C@@H]4CCOC4)c3c1)=NC2 ZINC000096176020 HG Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3ncn([C@H]4CCOC4)c3c1)=NC2 ZINC000096176021 HG Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3[C@@H]1CCOC1)=NC2 ZINC000096176022 HG Annotated Anodyne c1cc2c(c(OC3CCOCC3)n1)C(c1ccc3c(c1)ncn3[C@H]1CCOC1)=NC2 ZINC000096176023 HG Annotated Anodyne CC(C)n1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1C(=O)N1CCC1 ZINC000096176087 HG Annotated Anodyne CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1cccc[n+]1[O-] ZINC000096176365 HG Annotated Mild N[C@H]1CCCC(F)(F)[C@@H]1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1 ZINC000096177969 HG Annotated Anodyne N[C@H]1CCCC(F)(F)[C@H]1NC(=O)c1nc(-c2cnc3ccccn23)c(Cl)s1 ZINC000096177970 HG Annotated Anodyne O=C(Nc1ccccc1N1CCNCC1)c1csc(Nc2n[nH]c3ccccc23)n1 ZINC000096269604 HG Annotated Anodyne COc1ccc(CC[C@H]2CC[C@@H](CCc3ccc(OC)cc3)N2C[C@@H](O)CO)cc1 ZINC000096269932 HG Annotated Anodyne Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000096273716 HG Annotated Mild Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000096273717 HG Annotated Mild CC(C)Oc1cc(Oc2cnc(C(=O)N(C)C)c(F)c2)cc(-c2nccc(=O)[nH]2)c1 ZINC000096273782 HG Annotated Anodyne CCC(CC)Oc1cc(Oc2cnc(C(=O)N(C)C)nc2)cc(-c2nccc(=O)[nH]2)c1 ZINC000096273788 HG Annotated Anodyne CC(C)(O)C[C@H](NC1=NS(=O)(=O)C(C)(C)C(C)(C)O1)c1ccccc1Cl ZINC000096273926 HG Annotated Anodyne COC(=O)c1c(NC(=O)CSc2ccccc2N)cnn1CCc1ccccc1 ZINC000096283166 HG Annotated Anodyne O=C(O[C@@H]1CS[S@@](=O)C1)c1cc(Br)ccc1Br ZINC000096283328 HG Annotated Reactive O=C(O[C@H]1CS[S@@](=O)C1)c1cc(Br)ccc1Br ZINC000096283329 HG Annotated Reactive O=C(O[C@@H]1CS[S@](=O)C1)c1cc(Br)ccc1Br ZINC000096283330 HG Annotated Reactive O=C(O[C@H]1CS[S@](=O)C1)c1cc(Br)ccc1Br ZINC000096283331 HG Annotated Reactive Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(C#N)cn2)c(C)n1 ZINC000096283740 HG Annotated Mild COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCCF ZINC000096283884 HG Annotated Anodyne CCOc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF ZINC000096283886 HG Annotated Anodyne O=C(Nc1cc(-c2ccncc2)n[nH]1)[C@H](Cc1ccccc1)NCc1cncs1 ZINC000096284450 HG Annotated Anodyne Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]c5ccccc45)C3=O)CC2)n1 ZINC000096285049 HG Annotated Anodyne Cc1ccc2c(c1)C=C(C(=O)NS(=O)(=O)c1cc3ccccc3o1)[C@@H]2CC(=O)O ZINC000096285324 HG Annotated Anodyne Cc1ccc2c(c1)C=C(C(=O)NS(=O)(=O)c1cc3ccccc3o1)[C@H]2CC(=O)O ZINC000096285325 HG Annotated Anodyne Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3Cl)[C@H]4C2=O)cc1 ZINC000096286731 HG Annotated Anodyne O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000096336090 HG Annotated Mild O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000096336091 HG Annotated Mild Ic1ccc(Oc2cc(N3CCOCC3)cc3nonc23)cc1 ZINC000096336740 HG Annotated Anodyne c1ccc(C(c2ccccc2)N2CCN(Cc3nc(-c4cnccn4)no3)CC2)cc1 ZINC000096838237 HG Annotated Anodyne COC(=O)c1c(O)c2c(c3c1O[C@@]1(C)OC[C@H](C)[C@H]1C3)O[C@@]1(C)OC[C@H](C)[C@H]1C2 ZINC000096900517 HG Annotated Anodyne COn1cc(-c2ccccc2)c(O)c([C@@H]2O[C@H]([C@H](C)CCO)[C@@H](C)C[C@H]2C)c1=O ZINC000096900641 HG Annotated Anodyne COc1ccc(CC/N=C/c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2O)cc1OC ZINC000096900797 HG Annotated Mild CN(C)C(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 ZINC000096900828 HG Annotated Anodyne CN1CCC[C@H](CNC[C@H](O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000096901591 HG Annotated Anodyne CN1CCC[C@@H](CNC[C@H](O)COc2ccc3cc(Br)ccc3c2)C1 ZINC000096901592 HG Annotated Anodyne CO/N=C(\C)c1ccc(-n2ccnc2)c(NC(=O)c2cnn(-c3ccccn3)c2)c1 ZINC000096901603 HG Annotated Mild C[C@H](C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000096902032 HG Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@H](O)c3ccc(Cl)cc3)C(=O)[C@@]21C ZINC000096902372 HG Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@@H](O)c3ccc(Cl)cc3)C(=O)[C@@]21C ZINC000096902373 HG Annotated Mild CN1CCC(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000096903831 HG Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)nc1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1cccc(F)c12 ZINC000096906454 HG Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)n1)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1cccc(F)c12 ZINC000096906464 HG Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@]4(CC(c5ccc([N+](=O)[O-])cc5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906629 HG Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(CC(c5ccc([N+](=O)[O-])cc5)=NO4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906630 HG Annotated Mild O=C(CSc1nnc(NC(=O)CCCCl)s1)Nc1ccc(Cl)cn1 ZINC000096908519 HG Annotated Reactive COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000096908642 HG Annotated Bother COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(OC)c1 ZINC000096908648 HG Annotated Bother CC(=O)N1CCc2ccc(-n3cc(CNC(=O)Nc4cccc(CCl)c4)nn3)cc21 ZINC000096908812 HG Annotated Reactive O=C(NCc1cn(Cc2cc(=O)[nH]c3ccccc23)nn1)Nc1cccc(CCl)c1 ZINC000096908813 HG Annotated Reactive CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccc(C)cc32)N1C(=O)C1CCCCC1 ZINC000096908997 HG Annotated Anodyne CCOC(=O)C1=N[C@@]2(SC1)C(=O)N(C(=O)c1ccc(C)cc1)c1ccc(C)cc12 ZINC000096909005 HG Annotated Anodyne COC(=O)CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000096909328 HG Annotated Anodyne COCCn1c(=O)nc(-c2ccc(OCCN(C)C)cc2)c2oc3ccccc3c21 ZINC000096910008 HG Annotated Anodyne CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ncc4ccc([N+](=O)[O-])cc43)[C@@H]2CC1 ZINC000096910787 HG Annotated Bother CC1=C2C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ncc4cc([N+](=O)[O-])ccc43)[C@@H]2CC1 ZINC000096910788 HG Annotated Bother CN(C)CCOc1cncc(-c2cccc(-c3cn4cccc(C(N)=O)c4n3)c2)c1 ZINC000096916054 HG Annotated Anodyne NC(=O)c1nccn2cc(-c3cccc(-c4cncc(OC[C@H]5CCCO5)c4)c3)nc12 ZINC000096916070 HG Annotated Anodyne CCO[C@@H]1CNC(=O)c2c(ncn2Cc2ccc(OC)cc2)N1Cc1ccccc1 ZINC000096917337 HG Annotated Anodyne CCO[C@H]1CNC(=O)c2c(ncn2Cc2ccc(OC)cc2)N1Cc1ccccc1 ZINC000096917339 HG Annotated Anodyne CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCc2ccc(Cl)cc2)cc1OC(C)=O ZINC000096917404 HG Annotated Anodyne Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)cc1 ZINC000096917505 HG Annotated Anodyne C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)nc1 ZINC000096921395 HG Annotated Anodyne COc1c2c(cc(CC(C)=O)c1-c1c(CC(C)=O)cc3c(c1OC)OCO3)OCO2 ZINC000096922554 HG Annotated Anodyne O=c1cc(CCl)oc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000096922705 HG Annotated Reactive O=c1cc(CCl)oc(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1O ZINC000096922715 HG Annotated Reactive O=c1cc(CCl)oc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1O ZINC000096922716 HG Annotated Reactive Cn1c(=O)c2c(-c3ccsc3)c3c(nc2n(C)c1=O)/C(=C/c1ccsc1)COC3 ZINC000096923287 HG Annotated Anodyne COc1c(C(=O)Nc2ccc(N)cc2)cc(N2CCC(=O)NC2=O)cc1C(C)(C)C ZINC000096926929 HG Annotated Clean CN(C)c1nc(N)nc(-c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)n1 ZINC000096927339 HG Annotated Anodyne CCC(CC)c1nn(CCO)c2c1N=C(c1ccc(-n3ccnc3C)cc1)CNC2=O ZINC000096928324 HG Annotated Anodyne COC(=O)c1c(-c2cc3ccccc3oc2=O)nn(-c2cccc(F)c2)c1C(=O)OC ZINC000096928594 HG Annotated Anodyne COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(OC)c(OC)c(OC)c1 ZINC000096929411 HG Annotated Clean CN(C)Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12 ZINC000096929699 HG Annotated Reactive CC(C)(C)OC(=O)c1nn(-c2ccc(OCCF)cc2)c(=O)c2c(N)scc12 ZINC000096929711 HG Annotated Anodyne COC(=O)c1ccc(Cn2cc(C(=O)C(=O)c3ccc(Cl)cc3Cl)nn2)o1 ZINC000096932336 HG Annotated Clean CCCCOc1cc2c(c(N)n1)NC(=O)CN2Cc1cccc(CN2CCCC2)c1 ZINC000096932453 HG Annotated Anodyne CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096932475 HG Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C\C(OC)OC)cc3[C@@H]2CO)ccc1O ZINC000096932727 HG Annotated Anodyne O=C(Nc1ccc(O)c(Sc2ncnc3nc[nH]c23)c1)c1ccc([N+](=O)[O-])cc1 ZINC000096932740 HG Annotated Bother COC/C=C/c1ccc(O[C@H](CO)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000096933046 HG Annotated Anodyne CC(C)CNC(=S)N/N=C\c1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 ZINC000096933191 HG Annotated Mild C=CCNC(=N)NCCCCCCCCN1CCCCCCCCN/C(N)=N/C1=O ZINC000096933929 HG Annotated Mild CCCCCc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2 ZINC000096934195 HG Annotated Anodyne COC(=O)/C=C/C=C/C=C/C=C/C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O ZINC000096934531 HG Annotated Anodyne COc1ccc(-c2cn([C@@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934584 HG Annotated Mild COc1ccc(-c2cn([C@H]3COC4=C(Cl)C(=O)C(=O)c5cccc3c54)nn2)cc1 ZINC000096934585 HG Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@H]3n1cc(-c2ccccc2)nn1 ZINC000096934600 HG Annotated Mild O=C1C(=O)c2cccc3c2C(=C1Br)OC[C@@H]3n1cc(-c2ccccc2)nn1 ZINC000096934601 HG Annotated Mild N#CC1=C(N2C(=O)CN(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@@H]12 ZINC000096935379 HG Annotated Reactive N#CC1=C(N2C(=O)CN(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@H]12 ZINC000096935380 HG Annotated Reactive Cc1ccc(NC(=O)CNC2=C(C#N)[C@@H]3CCCN3C(=O)N2c2ccccc2)cc1 ZINC000096935419 HG Annotated Reactive Cc1ccc(NC(=O)CNC2=C(C#N)[C@H]3CCCN3C(=O)N2c2ccccc2)cc1 ZINC000096935420 HG Annotated Reactive CO[C@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N1CCOCC1)S2 ZINC000096938424 HG Annotated Anodyne CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN=C(N1CCOCC1)S2 ZINC000096938425 HG Annotated Anodyne Cc1ccccc1-c1nn(-c2ccc(F)cc2)cc1CNCCN1CCN(C)CC1 ZINC000096938541 HG Annotated Anodyne Cc1ccccc1-c1nn(Cc2ccccc2)cc1CNCCN1CCN(C)CC1 ZINC000096938543 HG Annotated Anodyne Cc1ccccc1-c1nn(Cc2ccc(F)cc2)cc1CNCCN1CCN(C)CC1 ZINC000096938545 HG Annotated Anodyne Cn1ncc2c1S(=O)(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1Cl ZINC000096938768 HG Annotated Anodyne N#Cc1ccccc1CN1C(=O)N(Cc2cccc(F)c2)S(=O)(=O)n2cccc21 ZINC000096938771 HG Annotated Mild Cc1ccc(S(=O)(=O)Cc2cn3cc(I)ccc3n2)cc1 ZINC000096939351 HG Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2nc3ccc(Br)cn3c2[N+](=O)[O-])cc1 ZINC000096939365 HG Annotated Bother O=[N+]([O-])c1c(CS(=O)(=O)c2ccc(F)cc2)nc2ccc(Br)cn12 ZINC000096939369 HG Annotated Bother O=C(NCCF)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939871 HG Annotated Bother COc1ccc(Nc2nccc3ccn(S(=O)(=O)c4ccc(OC)cc4)c23)cc1 ZINC000096940384 HG Annotated Anodyne CC1=C(C(=O)Nc2cc(C)on2)C(c2ccc[nH]2)C(C(=O)Nc2cc(C)on2)=C(C)N1 ZINC000096940472 HG Annotated Anodyne N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3CCCN32)cc1F ZINC000096940488 HG Annotated Mild C=C[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(F)cc1)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 ZINC000096941635 HG Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](CF)[C@H]3[C@@H]3CCCN32)cc1 ZINC000096941638 HG Annotated Anodyne CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2ccc(Cl)cc2)cc1 ZINC000098081968 HG Annotated Mild Nc1ccc(C2(c3ccc(N)c([N+](=O)[O-])c3)C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000098082479 HG Annotated Clean CCN(CC)CN1C(=O)/C(=N/NC(=S)Nc2ccc(OC)cc2)c2ccccc21 ZINC000098082685 HG Annotated Mild COCCOC(=O)/C(C#N)=C(/C)NCc1ccc(OCc2cnc(Cl)s2)cc1 ZINC000098083001 HG Annotated Reactive Cc1cc(O)c(-c2csc(N3C(=O)CS[C@H]3c3ccc(O)cc3)n2)c(=O)o1 ZINC000098083758 HG Annotated Anodyne Cc1cc(O)c(-c2csc(N3C(=O)CS[C@@H]3c3ccc(O)cc3)n2)c(=O)o1 ZINC000098083759 HG Annotated Anodyne COc1ccc(/C=C(\C#N)Cn2nnn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1 ZINC000098084840 HG Annotated Reactive CS(=O)(=O)c1ccc(Cc2n[nH]c(=S)n2/N=C/c2ccccc2Cl)cc1 ZINC000098085682 HG Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(N(C)c2ccc3ncn(C)c(=O)c3c2)c1F ZINC000098208326 HG Annotated Anodyne