N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=NC(=O)c1ccco1 ZINC000001098272 HE Annotated Anodyne aggregator CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc12 ZINC000001331456 HE Annotated Anodyne O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Br)ccc3OC(=O)[C@H]12 ZINC000001470488 HE Annotated Anodyne CC(=O)Oc1cc(C=O)cc(C(=O)c2cccc(OC(C)=O)c2OC(C)=O)c1C=O ZINC000001487419 HE Annotated Anodyne CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@H]1OC[C@H](O)[C@@H](CO)O1)=CC3=O ZINC000001487528 HE Annotated Mild COc1cc2c(c(O)c1O)[C@@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@](C)(O1)C2=O ZINC000001493823 HE Annotated Clean in-vitro CC(C)(C)N1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)/C(=N/OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000100024068 HE Annotated Mild C[C@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)[C@@H](C)C1=O ZINC000100055045 HE Annotated Mild C[C@@H]1C(=O)/C(=N\Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=N)[C@@H](C)C1=O ZINC000100055046 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@H]2C[C@@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066255 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@H]2C[C@@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066257 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066259 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066262 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@H]2C[C@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066267 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@H]2C[C@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066271 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@@H]2C[C@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066273 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CCC[C@@H]2C[C@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066277 HE Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066355 HE Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066357 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000100066359 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000100066362 HE Annotated Mild C/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C[C@@H](CO)OC=C3C(=O)[C@@]2(C)OC1=O ZINC000100079728 HE Annotated Mild in-vitro CS(=O)(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F ZINC000100083891 HE Annotated Anodyne CS(=O)(=O)N1C[C@H]2C(c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F ZINC000100087811 HE Annotated Anodyne CS(=O)(=O)N1C[C@@H]2[C@@H](c3ccc(Br)cc3)[C@H](C1)N2CC(F)(F)F ZINC000100087814 HE Annotated Anodyne CS(=O)(=O)N1C[C@@H]2C(c3ccc(Br)cc3)[C@@H](C1)N2CC(F)(F)F ZINC000100087817 HE Annotated Anodyne CS(=O)(=O)N1[C@H]2CN(CC(F)(F)F)C[C@H]1C2c1ccc(Br)cc1 ZINC000100088154 HE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100088160 HE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100088166 HE Annotated Anodyne CS(=O)(=O)N1[C@@H]2CN(CC(F)(F)F)C[C@@H]1C2c1ccc(Br)cc1 ZINC000100088173 HE Annotated Anodyne COc1cc2c(c(O)c1O)[C@@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@@](C)(O1)C2=O ZINC000100089133 HE Annotated Clean in-vitro COc1cc2c(c(O)c1O)[C@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@](C)(O1)C2=O ZINC000100089136 HE Annotated Clean in-vitro COc1cc2c(c(O)c1O)[C@]1(C)Oc3c(O)c(OC)cc(C=O)c3[C@](C)(O1)C2=O ZINC000100089144 HE Annotated Clean in-vitro Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100092515 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cn(C)cn3)cc2)cc1 ZINC000100094251 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@@H]3N4)cc2)cc1 ZINC000100105886 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cn(C)cn3)cc2)c1 ZINC000100106909 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4S(=O)(=O)c3cn(C)cn3)cc2)c1 ZINC000100106912 HE Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccc(F)cc3)cc2)c1 ZINC000100106974 HE Annotated Anodyne O=C(CN1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107267 HE Annotated Anodyne O=C(CN1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(/C=C/c2ccccc2)cc1 ZINC000100107271 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@@H]3N4)cc2)c1 ZINC000100108220 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(S(=O)(=O)c5cn(C)cn5)C[C@@H]3N4)cc2)c1 ZINC000100108224 HE Annotated Anodyne O=S(=O)(c1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100108572 HE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100108589 HE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100108592 HE Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100108674 HE Annotated Anodyne Cn1cnc(S(=O)(=O)N2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100108766 HE Annotated Anodyne Cn1cnc(S(=O)(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3F)cc2)c1 ZINC000100114308 HE Annotated Anodyne O=S(=O)(c1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100114404 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000100122537 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000100122552 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000100122558 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000100122574 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)Nc3ccccc3)[C@@H]2N1C(=O)CC ZINC000100140381 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)Nc3ccccc3)[C@H]2N1C(=O)CC ZINC000100140383 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)[C@@H]2N1Cc1ccccc1 ZINC000100141099 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC)[C@H]2N1Cc1ccccc1 ZINC000100141102 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3)[C@@H]2N1CC ZINC000100141599 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccccc3)[C@H]2N1CC ZINC000100141602 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)N(CCc3ccccc3)[C@@H]21 ZINC000100143185 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCc2ccccc2)[C@@H](C(=O)OC)[C@@H]1CO ZINC000100143190 HE Annotated Anodyne CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5OC(=O)CCl)N3[C@@H]1O ZINC000100251051 HE Annotated Reactive in-man O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@@]1(CO)N=C1SCC(=O)N12)c1ccccc1 ZINC000100264208 HE Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)s1 ZINC000100287541 HE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)s1 ZINC000100287545 HE Annotated Anodyne Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)s1 ZINC000100287549 HE Annotated Anodyne CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C=C[C@@]23CO3)[C@@H]1C ZINC000100307065 HE Annotated Mild in-vitro CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C=C[C@@]23CO3)[C@@H]1C ZINC000100307068 HE Annotated Mild in-vitro CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C=C[C@]23CO3)[C@@H]1C ZINC000100307071 HE Annotated Mild in-vitro CC(/C=C/C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](C=C[C@]23CO3)[C@@H]1C ZINC000100307074 HE Annotated Mild in-vitro O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccs2)[C@H]1C(=O)c1ccccc1 ZINC000100308853 HE Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccs2)[C@@H]1C(=O)c1ccccc1 ZINC000100308858 HE Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccs2)[C@H]1C(=O)c1ccccc1 ZINC000100308864 HE Annotated Anodyne O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccs2)[C@@H]1C(=O)c1ccccc1 ZINC000100308869 HE Annotated Anodyne CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccn21 ZINC000100424678 HE Annotated Anodyne Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)cc1 ZINC000100447145 HE Annotated Mild Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)cc1 ZINC000100447151 HE Annotated Mild CN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nncn3C)cc2)c2ccccc21 ZINC000100464635 HE Annotated Reactive CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CSC(=S)NN/C=C1\C=CC=CC1=O)C2=O ZINC000100476658 HE Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CSC(=S)NN/C=C1\C=CC=CC1=O)C2=O ZINC000100476663 HE Annotated Mild O=C(NCc1cccs1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000100478934 HE Annotated Anodyne COc1ccc(C2=C(C)NN/C2=C2/C=CC(OCCN3CCOCC3)=CC2=O)cc1 ZINC000100560224 HE Annotated Mild O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N/Cc1ccccc1Cl ZINC000100560865 HE Annotated Bother Cc1c(COc2ccc([N+](=O)[O-])cc2)c2c(n1C)C(=O)C=C(NCCCCN)C2=O ZINC000100601349 HE Annotated Mild C[C@@H]1CC[C@@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](F)[C@H]3OCC(=O)[C@H]32)CC1 ZINC000100630434 HE Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 ZINC000100630435 HE Annotated Reactive C[C@@H]1CC[C@@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 ZINC000100630437 HE Annotated Reactive CS(=O)(=O)C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000100636809 HE Annotated Anodyne CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000100778128 HE Annotated Reactive in-man endogenous CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000100778130 HE Annotated Reactive in-man endogenous CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000100778131 HE Annotated Reactive in-man endogenous CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000100778134 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000100782903 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000100782905 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000100782907 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000100782909 HE Annotated Reactive in-man endogenous C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1O ZINC000100783558 HE Annotated Mild in-man endogenous C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1O ZINC000100783560 HE Annotated Mild in-man endogenous C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1O ZINC000100783561 HE Annotated Mild in-man endogenous C=C([C@@H]1[C@@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000100783565 HE Annotated Mild in-man endogenous CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784014 HE Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784019 HE Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000100784021 HE Annotated Reactive in-man endogenous O=C1C2C(=O)N(c3ccccc3)C(=S)N3CCN(C(=S)N1c1ccccc1)C23 ZINC000100790539 HE Annotated Anodyne CC(C)(C(=O)N1CCC(CC(=O)O)CC1)/C(O)=C/C(=O)c1ccc(C(=N)N)cc1 ZINC000100819213 HE Annotated Mild COC1=CC(=O)c2c(cc(CO[P@@](N)(=O)N(CCCl)CCCl)n2C)C1=O ZINC000100891552 HE Annotated Reactive CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4ncccn4)CC3)cc21 ZINC000100899109 HE Annotated Anodyne O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3C[C@@H]4C[C@@H]3CN4)c(F)cc2c1=O ZINC000100935236 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000100950232 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000100950238 HE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C[C@@H](C)N1 ZINC000100998994 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc5ccccc45)[C@H](O)[C@@H]3O)cnc1-2 ZINC000101008163 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@@H](CSc4cccc5ccccc45)[C@H](O)[C@@H]3O)cnc1-2 ZINC000101008164 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc5ccccc45)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000101008166 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@@H](CSc4cccc5ccccc45)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000101008168 HE Annotated Anodyne CC(C)CNn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101008842 HE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCC1CC1 ZINC000101012642 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000101014760 HE Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4nc5ccccc5o4)CC3)cc21 ZINC000101021744 HE Annotated Anodyne O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1CCCCO ZINC000101035249 HE Annotated Anodyne CCOC(=O)n1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101037861 HE Annotated Anodyne NCCCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 ZINC000101077609 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@H]5C([C@@H](c6ccccc6)C24CO)[C@H]1C5(CO)[C@H]3c1ccccc1 ZINC000101085570 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@@H]5C([C@H]1[C@@]5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)[C@]24CO ZINC000101085571 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@@H]5C([C@H]1[C@]5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)[C@@]24CO ZINC000101085572 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@@H]5C([C@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@@H]3c1ccccc1 ZINC000101085575 HE Annotated Anodyne C[C@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000101111654 HE Annotated Anodyne C[C@@H](C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000101111656 HE Annotated Anodyne C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000101126889 HE Annotated Mild C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1O ZINC000101126890 HE Annotated Mild CC(=O)Nc1cccc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)c1 ZINC000101137761 HE Annotated Anodyne COc1cc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)cc(OC)c1 ZINC000101139278 HE Annotated Anodyne CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000101162602 HE Annotated Reactive CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000101162608 HE Annotated Reactive N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@H]3[C@H]3CCCN32)cc1 ZINC000101179937 HE Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@](OC)([C@H]1O)[C@H]2O ZINC000101299597 HE Annotated Mild in-vivo C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000101336794 HE Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 ZINC000101336798 HE Annotated Anodyne C/C=C\C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000101338356 HE Annotated Anodyne C/C=C\C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@]12CO2 ZINC000101338357 HE Annotated Anodyne N#Cc1cccnc1N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C1 ZINC000101371349 HE Annotated Mild N#Cc1cccnc1N[C@@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C1 ZINC000101371353 HE Annotated Mild N#Cc1cccnc1N[C@@H]1CCN(C(=O)O[C@H]2[C@H]3CC4C[C@@H]2C[C@](C(N)=O)(C4)C3)C1 ZINC000101371357 HE Annotated Mild N#Cc1cccnc1N[C@@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C1 ZINC000101371361 HE Annotated Mild N#Cc1cccnc1N[C@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C1 ZINC000101371377 HE Annotated Mild N#Cc1cccnc1N[C@H]1CCN(C(=O)O[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](C(N)=O)(C4)C3)C1 ZINC000101371380 HE Annotated Mild N#Cc1cccnc1N[C@H]1CCN(C(=O)O[C@H]2[C@H]3CC4C[C@@H]2C[C@](C(N)=O)(C4)C3)C1 ZINC000101371384 HE Annotated Mild N#Cc1cccnc1N[C@H]1CCN(C(=O)OC2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C1 ZINC000101371388 HE Annotated Mild CCN[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000101371886 HE Annotated Anodyne CCN[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2OC5)C1 ZINC000101371890 HE Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)c3c(c4ccccc4n3C)S(=O)(=O)N2C)s1 ZINC000101374781 HE Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cn(C)cn1 ZINC000101403149 HE Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@@]34C=C[C@H]2O4)c(OC)c1 ZINC000101411544 HE Annotated Anodyne C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@H]1[C@@]4(C(=O)OC)C(=O)OC(C)=O ZINC000101433706 HE Annotated Reactive C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@H]1[C@]4(C(=O)OC)C(=O)OC(C)=O ZINC000101433709 HE Annotated Reactive COc1ccc(CN2Cc3c([nH]c4cc(-c5ccco5)nn4c3=O)C2=O)cc1OC ZINC000101445254 HE Annotated Anodyne CC/C(O)=C(\C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1 ZINC000101459803 HE Annotated Unstable C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000101477993 HE Annotated Mild C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000101477995 HE Annotated Mild C=CCC1=C[C@@]2(OC)[C@H](C)[C@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@@H]2O ZINC000101499092 HE Annotated Mild C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@@H]2O ZINC000101499094 HE Annotated Mild C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@@H]2O ZINC000101499097 HE Annotated Mild C=CCC1=C[C@@]2(OC)[C@@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@@H]2O ZINC000101499100 HE Annotated Mild Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO ZINC000101500491 HE Annotated Anodyne Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO ZINC000101500500 HE Annotated Anodyne C=CCn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 ZINC000101508762 HE Annotated Mild O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCC1 ZINC000101550053 HE Annotated Anodyne O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCC1 ZINC000101550058 HE Annotated Anodyne O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCC1 ZINC000101550061 HE Annotated Anodyne O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCC1 ZINC000101550065 HE Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccc(Cl)cc13)n1c2nc2ccccc2c1=O ZINC000101553423 HE Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccc(Cl)cc2c1=O ZINC000101564229 HE Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C=O)[C@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 ZINC000101573110 HE Annotated Mild C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccc(Cl)cc13)n1c2nc2ccccc2c1=O ZINC000101585922 HE Annotated Anodyne CC(C)[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101586382 HE Annotated Anodyne COc1ccc(Cc2cn(Cc3ccc(O)cc3)c(/N=C/[C@H]3NC(=O)NC3=O)n2)cc1 ZINC000101611725 HE Annotated Mild COc1ccc(Cc2cn(Cc3ccc(O)cc3)c(/N=C/[C@@H]3NC(=O)NC3=O)n2)cc1 ZINC000101611729 HE Annotated Mild O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NC1CCC1 ZINC000101618062 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000101645265 HE Annotated Anodyne O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=N/CCN3CCNCC3)c2O)cc1 ZINC000101655759 HE Annotated Mild CC1=C[C@@H]2[C@@H]([C@H]3[C@H]4[C@@H](C[C@@H]13)[C@@]1(C)CC[C@H]3OC(=O)[C@]45O[C@@]5(O1)[C@@H]3C)[C@H](O)[C@@H](C)[C@@H]2O ZINC000101659654 HE Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2ccc(Cl)cc2c1=O ZINC000101678549 HE Annotated Anodyne CCCCO[C@@]1(OC)C(Br)=C[C@](O)(CC(N)=O)C=C1Br ZINC000101684463 HE Annotated Anodyne CC(C)[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101691281 HE Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@H](O)[C@H](O)[C@@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000101693035 HE Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2cc(Cl)ccc2c1=O ZINC000101697296 HE Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2cc(Cl)ccc2c1=O ZINC000101709444 HE Annotated Anodyne CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@@]2(C)O[C@@H](C=C[C@@]23CO3)[C@H]1C ZINC000101712880 HE Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C#N)c(NS(=O)(=O)c1ccc3ccccc3c1)[n+]2[O-] ZINC000101726797 HE Annotated Mild CC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1 ZINC000101770796 HE Annotated Anodyne CC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1 ZINC000101770798 HE Annotated Anodyne Cc1c2c(nc3[nH]c(=S)n(-c4ccc(S(N)(=O)=O)cc4)c(=N)c13)CCCC2 ZINC000101871480 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000101873829 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000101873835 HE Annotated Anodyne COc1ccc(-c2cn3c(=O)c4ncn([C@H]5C[C@H](N=[N+]=[N-])[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000101877448 HE Annotated Clean CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@]1(C)N ZINC000101879086 HE Annotated Mild CO/N=C1/CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@]1(C)N ZINC000101879091 HE Annotated Mild Cc1c2c(nc3ncn(-c4ccc(S(N)(=O)=O)cc4)c(=N)c13)CC(C)(C)CC2=O ZINC000101883296 HE Annotated Anodyne NC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000101911991 HE Annotated Clean O=C1O[C@@H](COC(=O)N2O[C@H]3C=C[C@H]2C3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000101950052 HE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@@H]2C3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000101950058 HE Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1OC(C)=O ZINC000101954875 HE Annotated Anodyne Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)cc1 ZINC000101961851 HE Annotated Reactive aggregator COCCNC(=O)[C@@]12C[C@@H]3C[C@H](CCOC)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000101972586 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CCCCO ZINC000101997008 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CCCCO ZINC000101997012 HE Annotated Anodyne CC[C@@]1(O)CC[C@@]2(CO1)[C@H]1CCC3=C4[C@H](C[C@@H]3O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000102024742 HE Annotated Anodyne CC1=CC(=O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1/C(=O)CNC1=O)[C@H]2C ZINC000102029100 HE Annotated Mild COCC[C@H]1C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)NCCN(C)C)(C2)[C@H]13 ZINC000102029609 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/CO ZINC000102031800 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/CO ZINC000102031806 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@H](C)O ZINC000102040857 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@H](C)O ZINC000102040864 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@@H](C)O ZINC000102044291 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@@H](C)O ZINC000102044294 HE Annotated Anodyne CN1/C(=C/C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)c2ccccc21 ZINC000102063474 HE Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000102126799 HE Annotated Mild O=C(NCCCN1CCCCC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000102128435 HE Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000102223163 HE Annotated Anodyne Cc1ccc2c(c1)[n+]([O-])c(C(=O)NCc1ccc(Br)cc1)c(C)[n+]2[O-] ZINC000102233455 HE Annotated Anodyne Cc1cccc2c1NC(=O)/C2=C1\Nc2ccccc2\C1=N/OCCN1CCNCC1 ZINC000102374984 HE Annotated Mild CC(C)(C)N1C(=O)[C@H]2CC[C@@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102378240 HE Annotated Mild COc1ccc(/C=N/C(C#N)=C(/C#N)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000102399743 HE Annotated Reactive O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3)[nH]2)nc2ccc(N3CCOCC3)cn12 ZINC000102410555 HE Annotated Anodyne COCCn1c(SCC(=O)NC[C@@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102485966 HE Annotated Anodyne COCCn1c(SCC(=O)NC[C@H]2CCCO2)nc2c3ccccc3nc-2c1O ZINC000102485969 HE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000102489365 HE Annotated Anodyne COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccnc2)cc1OC ZINC000102513315 HE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccnc2)cc1OC ZINC000102513325 HE Annotated Mild CC(C)(C)N1C(=O)[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000102567832 HE Annotated Mild CCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000102597076 HE Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1nccs1)[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br ZINC000102631915 HE Annotated Reactive Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 ZINC000102706654 HE Annotated Mild Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 ZINC000102706659 HE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccn2)cc1OC ZINC000102734840 HE Annotated Mild COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccn2)cc1OC ZINC000102734844 HE Annotated Mild COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 ZINC000102773134 HE Annotated Anodyne CC[C@@H](/C=C/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)c[nH]c1=O)CO ZINC000102809563 HE Annotated Mild CC[C@H](/C=C/C=C/C=C/C(=O)c1c(O)c([C@@]2(O)CC[C@H](O)CC2)c[nH]c1=O)CO ZINC000102809565 HE Annotated Mild O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1csc(N2CCOCC2)n1 ZINC000102832684 HE Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000102887230 HE Annotated Mild COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2CN1C ZINC000102898369 HE Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000102931001 HE Annotated Anodyne Cc1cc2c(cc1C)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1ccccc1C)c(C)[n+]2[O-] ZINC000102932341 HE Annotated Anodyne O=C1/C(=N/Nc2cccc3c(=O)[nH][nH]c(=O)c23)C(c2ccccc2)=NN1c1ccccc1 ZINC000102932562 HE Annotated Mild CN(C)CCCNc1nnc(NCCCN(C)C)c2c(=O)c3sccc3[nH]c12 ZINC000102966710 HE Annotated Anodyne COc1cc([C@]23OC[C@@H](Cc4cc5c(cc42)OCO5)[C@@H]3CO)cc(OC)c1OC ZINC000102986100 HE Annotated Anodyne COc1cc([C@@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3CO)cc(OC)c1OC ZINC000102986102 HE Annotated Anodyne CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCN(c2ncccn2)CC1 ZINC000103004985 HE Annotated Mild CCOC(=O)N1CCN(/C(=N\Nc2ccc3c(=O)cc(C)oc3c2)C(C)=O)CC1 ZINC000103005558 HE Annotated Mild COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@@H]1C)N1CC[C@H]3[C@@]41CC[C@@H](C)O ZINC000103015820 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@@H]1C)N1CC[C@H]3[C@@]41CC[C@H](C)O ZINC000103015830 HE Annotated Anodyne COc1cncc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c12 ZINC000103102270 HE Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4[C@@H](O)C[C@@H]1[C@H]2OC(C)(C)O[C@@]31OC[C@]42CCCC(C)(C)[C@H]2[C@@H]1O ZINC000103139262 HE Annotated Mild C=C1[C@H]2CC3=C4[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@@H]([C@@H](O)O3)[C@]42C=O)[C@@H]1OC(C)=O ZINC000103139263 HE Annotated Mild C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCNCC5)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103144677 HE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+]([O-])c2cc(Cl)c(Cl)cc2[n+]1[O-] ZINC000103147742 HE Annotated Mild Cc1cc(Br)c(C2C(=O)N3CCOCCN3C2=O)c(Br)c1 ZINC000103169504 HE Annotated Clean CC[C@H](C)[C@H](NC(C)=O)C(=O)OCCNC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000103173287 HE Annotated Mild COc1cccc2c1C(=O)C(NCCOC(=O)[C@H](CC(C)C)NC(C)=O)=C(C)C2=O ZINC000103174391 HE Annotated Mild COc1cc(OC)nc([C@H](O)c2cc(Cl)ccc2NS(=O)(=O)C(F)F)n1 ZINC000103176319 HE Annotated Anodyne COc1cc(OC)nc([C@@H](O)c2cc(Cl)ccc2NS(=O)(=O)C(F)F)n1 ZINC000103176321 HE Annotated Anodyne COc1cc(OC)nc([C@H](O)c2ccc(Cl)cc2NS(=O)(=O)C(F)F)n1 ZINC000103176328 HE Annotated Anodyne COc1cc(OC)nc([C@@H](O)c2ccc(Cl)cc2NS(=O)(=O)C(F)F)n1 ZINC000103176331 HE Annotated Anodyne CCCCOC(=O)[C@@H](CC(C)C)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103176743 HE Annotated Anodyne CCCCOC(=O)[C@H](CC(C)C)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103176746 HE Annotated Anodyne CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@@H](CC(C)C)C(=O)OC(C)(C)C)n1 ZINC000103179222 HE Annotated Anodyne CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@H](CC(C)C)C(=O)OC(C)(C)C)n1 ZINC000103179224 HE Annotated Anodyne CCC#CCOc1ccc(CCNC(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)cc1OC ZINC000103182486 HE Annotated Mild CCC#CCOc1ccc(CCNC(=O)[C@H](CC(C)C)NS(C)(=O)=O)cc1OC ZINC000103182489 HE Annotated Mild C[C@@H]1CC[C@H]2C(COC[C@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103183661 HE Annotated Reactive C[C@@H]1CC[C@H]2C(COC[C@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103183663 HE Annotated Reactive C[C@@H]1CC[C@H]2C(COC[C@@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103183664 HE Annotated Reactive C[C@@H]1CC[C@H]2C(COC[C@@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103183666 HE Annotated Reactive COc1ccc(O)cc1[C@H]1OC[C@]2(O)[C@H](Oc3c(OC)cccc3OC)OC[C@H]12 ZINC000103190987 HE Annotated Anodyne N[C@@H](CCC(=O)n1c(-c2ccc(F)c(F)c2F)nc2ccccc2c1=O)C(=O)O ZINC000103193146 HE Annotated Anodyne N[C@H](CCC(=O)n1c(-c2ccc(F)c(F)c2F)nc2ccccc2c1=O)C(=O)O ZINC000103193149 HE Annotated Anodyne COc1cnc(OC)n2nc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)nc12 ZINC000103194082 HE Annotated Anodyne N[C@@H](CCC(=O)n1c(OCc2ccccc2Cl)nc2ccccc2c1=O)C(=O)O ZINC000103194753 HE Annotated Anodyne N[C@H](CCC(=O)n1c(OCc2ccccc2Cl)nc2ccccc2c1=O)C(=O)O ZINC000103194755 HE Annotated Anodyne CC(C)(O)CC(=O)[C@@H](CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13 ZINC000103195057 HE Annotated Mild CC(C)(O)CC(=O)[C@H](CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13 ZINC000103195060 HE Annotated Mild COc1cc2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn2c(OC)n1 ZINC000103195666 HE Annotated Anodyne Cc1c2c(nn1CC(=O)NCc1ccc(F)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103196734 HE Annotated Anodyne COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2sccc2COCCF)n1 ZINC000103199160 HE Annotated Anodyne O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103199757 HE Annotated Bother CC(C)[C@@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200798 HE Annotated Anodyne CC(C)[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 ZINC000103200801 HE Annotated Anodyne COc1ccc(NC(=S)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(OC)c1 ZINC000103201771 HE Annotated Mild CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CCCC(=O)OC)CN1C ZINC000103209150 HE Annotated Anodyne C=CCNC(=O)c1onc(CS(=O)(=O)c2ccc(Cl)cc2)c1C(=O)NCC=C ZINC000103209350 HE Annotated Mild CN(C(=O)c1ccccc1)/C(=N\[N+](=O)[O-])N(C[C@@H]1CCOC1)C(=O)c1ccccc1 ZINC000103209613 HE Annotated Mild CN(C(=O)c1ccccc1)/C(=N\[N+](=O)[O-])N(C[C@H]1CCOC1)C(=O)c1ccccc1 ZINC000103209614 HE Annotated Mild COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@@]3(C)[C@H](C)O[C@](C)([C@H]2O)[C@@H]3O)c1C ZINC000103210725 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000103213823 HE Annotated Anodyne CCOC(=O)CCN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103219696 HE Annotated Anodyne CCCOC(=O)CN1CC([N+](=O)[O-])=C(N(CC)Cc2ccc(Cl)nc2)N(C)C1 ZINC000103222871 HE Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(CC(=O)OC(C)C)CN1C ZINC000103222878 HE Annotated Anodyne CO/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/OC)ccc3[N+](=O)[O-])no2)cc1 ZINC000103226153 HE Annotated Mild Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)c2C)c(N)n1 ZINC000103231837 HE Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)c(N)n1 ZINC000103231849 HE Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3cccc(Cl)c3Cl)c2C)c(N)n1 ZINC000103231851 HE Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c2C)c(N)n1 ZINC000103231853 HE Annotated Reactive CC(=O)c1nnn(-c2cnn(CCc3ccccc3)c(=O)c2Br)c1C ZINC000103235307 HE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@@H](O)CNc3ccccc3)c(F)c2)C(=O)O1 ZINC000103238700 HE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(OC[C@H](O)CNc3ccccc3)c(F)c2)C(=O)O1 ZINC000103238703 HE Annotated Anodyne O=C1CC[C@@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc3c2OCCO3)N1 ZINC000103239960 HE Annotated Anodyne CCn1c(=O)/c(=C2\Sc3cccc(F)c3N2C)s/c1=C\c1cccc[n+]1C ZINC000103247336 HE Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccc(F)cc3N2C)s/c1=C\c1cccc[n+]1C ZINC000103247339 HE Annotated Anodyne CCn1c(=O)/c(=C2\Sc3cc(F)ccc3N2C)s/c1=C\c1cccc[n+]1C ZINC000103247342 HE Annotated Anodyne CCn1c(=O)/c(=C2\Sc3c(F)cccc3N2C)s/c1=C\c1cccc[n+]1C ZINC000103247345 HE Annotated Anodyne Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)c(Cl)c2)n(C)c1=O ZINC000103249956 HE Annotated Anodyne CCC(CC)C(=O)Nc1cc(NC(=O)C(C)C)c(NC(=N)N)cc1OCC(=O)O ZINC000103250977 HE Annotated Anodyne C=CC(=O)Nc1cc(N)nc(Sc2c(OC)nc(N3CCCCC3)nc2OC)n1 ZINC000103253564 HE Annotated Anodyne Nc1nc(OCC2CCCCC2)c2nc(-c3cccc(S(N)(=O)=O)c3)[nH]c2n1 ZINC000103255616 HE Annotated Anodyne O=C(C[C@@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(I)cc1 ZINC000103256307 HE Annotated Anodyne O=C(C[C@]1(O)C(=O)Nc2ccc(O)cc21)c1ccc(I)cc1 ZINC000103256309 HE Annotated Anodyne CCOC(=O)c1nnn(-c2ccc3c(c2)oc2ccccc23)c1[C@H](O)[C@@H](O)[C@H](C)O ZINC000103256617 HE Annotated Anodyne O=C(CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)Nc1ccccc1Cl ZINC000103261997 HE Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(SCC(=O)N3CCOCC3)[nH]c21 ZINC000103264531 HE Annotated Clean O=C1CCN(C(=S)SC[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000103264743 HE Annotated Anodyne O=C1CCN(C(=S)SC[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000103264747 HE Annotated Anodyne CC(C)C[C@H]1C(=O)N[C@@H](CN(C)C)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000103265398 HE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C[C@@]1(C)[C@H](O)C[C@H](OC(C)=O)C(=C)[C@H]21 ZINC000103268013 HE Annotated Mild COCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OCCOC)[C@@H]23)OCO5 ZINC000103268990 HE Annotated Anodyne O=C1C=C(NCc2cn(C3=CC(=O)c4ccccc4C3=O)nn2)C(=O)c2ccccc21 ZINC000103269105 HE Annotated Mild O=C(C[C@@H]1C(=O)NN(c2ccc(Br)cc2)C1=O)c1cc(O)ccc1O ZINC000103289440 HE Annotated Clean O=C(C[C@H]1C(=O)NN(c2ccc(Br)cc2)C1=O)c1cc(O)ccc1O ZINC000103289442 HE Annotated Clean O=C(Nc1ccccc1[N+](=O)[O-])c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O ZINC000103289478 HE Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O ZINC000103289481 HE Annotated Bother C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2OC(C)(C)O[C@]31OC[C@]42C=CC(=O)C(C)(C)[C@H]2[C@@H]1O ZINC000103292724 HE Annotated Mild C=C1C(=O)[C@@]23[C@H]4CC[C@@H]1[C@H]2OC(C)(C)O[C@]31OC[C@]42C(=O)C=CC(C)(C)[C@H]2[C@@H]1O ZINC000103292735 HE Annotated Mild CC1=NN(c2ccc(Br)cc2Br)C(=O)/C1=N\NC(N)=S ZINC000103294288 HE Annotated Mild O=C1COCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303163 HE Annotated Mild O=C1COCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000103303686 HE Annotated Mild Cc1ccc([C@H]2C3=C(CCCC3=O)NC3=C2S(=O)(=O)CC3)cc1S(C)(=O)=O ZINC000103303689 HE Annotated Mild CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCCCC(=O)[C@]4(O)C[C@@]32C(=C4C(=O)O)C1 ZINC000103524762 HE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=C[C@@H]2CC[C@@H]3[C@](O)(COC)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524773 HE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@H]3CCC[C@H]4[C@](O)(COC)C(C(=O)O)=C(C1)[C@@]342 ZINC000103524833 HE Annotated Anodyne in-vitro biogenic CNC(=N)N1C=CC[C@]23[C@@H]4CC[C@@](C)(CC[C@@H]12)[C@]31C[C@@](O)(COC)C(C(=O)O)=C1C4 ZINC000103524836 HE Annotated Anodyne in-vitro biogenic CNC[C@H]1C=CN(C(=N)NC)C[C@@]12[C@@H]1CC[C@@H](C)[C@]23C[C@H](COC)C(C(=O)O)=C3C1 ZINC000103524865 HE Annotated Anodyne in-vitro biogenic CCOC[C@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)[C@]31CC=CN(C(=N)NC)C1 ZINC000103524882 HE Annotated Anodyne in-vitro biogenic CNC[C@@H]1C=CN2C[C@@]13[C@H]1CC4=C(C(=O)O)CC[C@]43[C@H](C)C[C@H]1C#CC/N=C\2NC ZINC000103524938 HE Annotated Mild in-vitro biogenic Cc1ccc2nc3c(O)n(CC(=O)N4CCN(C(=O)c5ccco5)CC4)ncc-3c2c1 ZINC000103536680 HE Annotated Anodyne CC[C@H]1[C@@H]2[C+]3C=CC(C(=O)C[C@H](C)C(=O)O)=[N+]3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000103545942 HE Annotated Mild in-vitro biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C2=C[C@@H](O[C@H]13)[C@H]1C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O ZINC000103550641 HE Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C(\C)C1)OC(=O)[C@]2(O)CCl ZINC000103554560 HE Annotated Reactive in-vitro biogenic CC1=C[C@H](O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1\C(=O)CNC1=O)[C@H]2C ZINC000103558110 HE Annotated Mild CC1=CC(=O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1\C(=O)CNC1=O)[C@H]2C ZINC000103558507 HE Annotated Mild Cn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639702 HE Annotated Anodyne Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C(=O)O)cc1)C1=C(O)c3ccccc3C1=N2 ZINC000103639705 HE Annotated Anodyne Cn1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O ZINC000103643294 HE Annotated Reactive CC/N=c1\c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(O)oc2ccccc12 ZINC000103667697 HE Annotated Anodyne CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)c(=O)n2[nH]1 ZINC000103695882 HE Annotated Anodyne CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 ZINC000103712267 HE Annotated Anodyne CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4C[C@@H](C)S3)C1 ZINC000103712268 HE Annotated Anodyne O=C(c1ccco1)N1CCC(c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)CC1 ZINC000103743658 HE Annotated Anodyne Cc1c(N2C(=O)CS/C2=N\N/C=C2\C=CC=CC2=O)c(=O)n(-c2ccccc2)n1C ZINC000103764888 HE Annotated Mild O=C(CSc1nc2n(-c3cccc(Cl)c3)[nH]cc-2c(=O)n1)NC[C@H]1CCCO1 ZINC000103779978 HE Annotated Anodyne O=C(CSc1nc2n(-c3cccc(Cl)c3)[nH]cc-2c(=O)n1)NC[C@@H]1CCCO1 ZINC000103779984 HE Annotated Anodyne CCc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1ccncc1)N=2 ZINC000103840201 HE Annotated Clean CC(C)(C)N1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)/C(=N\OCc1ccccc1)C[C@@H](O)[C@H]3O ZINC000103854411 HE Annotated Mild O=C(c1ccccc1)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1 ZINC000103865460 HE Annotated Anodyne Cc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCOCC3)c(O)c2=O)CC1 ZINC000103902871 HE Annotated Anodyne CCN(CC)C1=CC(=O)/C(=C/Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C=C1 ZINC000103915397 HE Annotated Mild Nc1ccc(S(=O)(=O)NC2=NC(c3ccccc3)=C/C(=C3/C=CC=CC3=O)N2)cc1 ZINC000103918678 HE Annotated Mild O=C(NCCc1ccccc1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000103960181 HE Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(N)cc3C)nc3nncc-3c2O)cc1 ZINC000103968887 HE Annotated Anodyne CC1=NN(C(N)=S)C(=O)/C1=N/Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000103989486 HE Annotated Mild O=C1C=C/C(=C/NNC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)C=C1O ZINC000103991360 HE Annotated Reactive COc1cc(C(=O)NCC(=O)NN/C=C2\C(C)=Nc3ccccc32)cc(OC)c1OC ZINC000104002295 HE Annotated Reactive COC(=O)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104008505 HE Annotated Anodyne COC(=O)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)[nH]c(=O)n3C)cc1 ZINC000104008511 HE Annotated Anodyne CC1(C)CC(=O)C(SC2=NNC(=C3C=CC(=O)C=C3)N2C[C@@H]2CCCO2)C(=O)C1 ZINC000104008608 HE Annotated Mild CC1(C)CC(=O)C(SC2=NNC(=C3C=CC(=O)C=C3)N2C[C@H]2CCCO2)C(=O)C1 ZINC000104008613 HE Annotated Mild COc1cccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NC[C@@H]4CCCO4)C3=N2)c1 ZINC000104010030 HE Annotated Anodyne COc1cccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NC[C@@H]4CCCO4)C3=N2)c1 ZINC000104010040 HE Annotated Anodyne CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3s2)C(=O)C=C1OCC(=O)NN ZINC000104011050 HE Annotated Reactive COC(=O)c1ccccc1NC(=O)C1=CC2=N[C@H](C(F)F)C[C@H](C(F)F)N2N1 ZINC000104013115 HE Annotated Anodyne COC(=O)c1ccccc1NC(=O)C1=CC2=N[C@@H](C(F)F)C[C@H](C(F)F)N2N1 ZINC000104013120 HE Annotated Anodyne COC(=O)c1ccccc1NC(=O)C1=CC2=N[C@H](C(F)F)C[C@@H](C(F)F)N2N1 ZINC000104013126 HE Annotated Anodyne COC(=O)c1ccccc1NC(=O)C1=CC2=N[C@@H](C(F)F)C[C@@H](C(F)F)N2N1 ZINC000104013131 HE Annotated Anodyne C=CCN1C(SCC(=O)Nc2ccc3c(c2)OCO3)=NN/C1=C1/C=CC=CC1=O ZINC000104013955 HE Annotated Mild CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)[C@H]1c1cccnc1 ZINC000104014091 HE Annotated Mild CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)[C@@H]1c1cccnc1 ZINC000104014098 HE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(N3CCOCC3)cc1)C1=C(O)CCCC1=N2 ZINC000104025444 HE Annotated Anodyne Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(N3CCOCC3)cc1)C1=C(O)CCCC1=N2 ZINC000104025450 HE Annotated Anodyne COc1ccc([C@@H]2C[C@H](C(F)(F)F)N3NC(C(N)=O)=C(Cl)C3=N2)cc1OC ZINC000104032705 HE Annotated Anodyne COc1ccc([C@H]2C[C@H](C(F)(F)F)N3NC(C(N)=O)=C(Cl)C3=N2)cc1OC ZINC000104032710 HE Annotated Anodyne COc1ccc([C@@H]2C[C@@H](C(F)(F)F)N3NC(C(N)=O)=C(Cl)C3=N2)cc1OC ZINC000104032714 HE Annotated Anodyne COc1ccc([C@H]2C[C@@H](C(F)(F)F)N3NC(C(N)=O)=C(Cl)C3=N2)cc1OC ZINC000104032720 HE Annotated Anodyne O=C(ONC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)NOC(=O)c1ccccc1)c1ccccc1 ZINC000104062231 HE Annotated Mild O=C(c1ccco1)N1CCC[C@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000104179376 HE Annotated Anodyne O=C(c1ccco1)N1CCC[C@@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 ZINC000104179379 HE Annotated Anodyne O=C(c1ccco1)N1CCC[C@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000104179459 HE Annotated Anodyne O=C(c1ccco1)N1CCC[C@@H](c2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)C1 ZINC000104179462 HE Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)cc1 ZINC000104179511 HE Annotated Anodyne Cc1ccc(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5ccco5)C4)nc2-3)cc1 ZINC000104179513 HE Annotated Anodyne Fc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2 ZINC000104229690 HE Annotated Clean COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)c(OC)c1 ZINC000104437009 HE Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3ccc4nsnc4c3)C[C@H]2CCO)CC1 ZINC000104437605 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000104470379 HE Annotated Anodyne C=C[C@]1(C)CC(=O)[C@H]([C@H](CO)COC(C)=O)[C@@]12C(=O)Oc1cccc(C)c1C2=O ZINC000104647829 HE Annotated Anodyne CC/C(NCCc1ccc(C(C)C)cc1)=C1/C(=O)NC(=S)N(CCOC)C1=O ZINC000104945680 HE Annotated Anodyne O=C(ONC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NOC(=O)c1ccccc1)c1ccccc1 ZINC000105055019 HE Annotated Mild O=C(OC[C@H]1OCO[C@@H]1[C@H]1OCO[C@@H]1COC(=O)c1ccccc1)c1ccccc1 ZINC000105182088 HE Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@H](CN1)[C@@H]([C@@H](O)c1ccccc1)C2=O ZINC000105426871 HE Annotated Anodyne C=C1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1[C@@H](O)c1ccc(S(=O)(=O)O)cc1 ZINC000105485329 HE Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(O[C@@H]1O)[C@H]1O[C@H]1C(=O)[C@H]1O[C@H]12 ZINC000105568351 HE Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)c(OC)c1 ZINC000107369428 HE Annotated Anodyne NC(=O)c1cc(-c2ncccn2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12 ZINC000113201365 HE Annotated Anodyne C[C@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000113357543 HE Annotated Anodyne C[C@@H](C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000113357545 HE Annotated Anodyne CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000113590516 HE Annotated Mild CC1(C)C(=O)N(C2[C@@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000113590519 HE Annotated Mild O=C(Nc1cccnn1)N1CC(Oc2ccc(-c3cccc(OCCO)c3)cn2)C1 ZINC000114003534 HE Annotated Anodyne Cc1ncoc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C2(C)C ZINC000114179633 HE Annotated Anodyne Cc1ocnc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C2(C)C ZINC000114184601 HE Annotated Anodyne CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OCCCN(C)C)cc12)c1ccccc1 ZINC000114346173 HE Annotated Anodyne CNC[C@H](Nc1ncnc2c(C(N)=O)cc(OCCCN(C)C)cc12)c1ccccc1 ZINC000114346175 HE Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2s1 ZINC000114398095 HE Annotated Anodyne Cc1n[nH]c(N)c1-c1nc2ccc(S(=O)(=O)NNNc3ccccc3)cc2s1 ZINC000114399361 HE Annotated Anodyne NCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 ZINC000114461882 HE Annotated Anodyne COCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 ZINC000011524566 HE Annotated Anodyne O=C1O[C@@H](CNC(=O)C(F)(F)F)CN1c1ccc(C2CCS(=O)CC2)c(F)c1 ZINC000011524774 HE Annotated Anodyne COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@@H](O)CN(C)C(C)C ZINC000011664512 HE Annotated Anodyne COc1cc(CNCc2n[nH]c3c2CCC3)ccc1OC[C@H](O)CN(C)C(C)C ZINC000011664513 HE Annotated Anodyne CCN1C(=O)C[C@@](CC(=O)N2CCC[C@@H](O)C2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011783620 HE Annotated Anodyne CCN1C(=O)C[C@](CC(=O)N2CCC[C@@H](O)C2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011783621 HE Annotated Anodyne CCN1C(=O)C[C@@](CC(=O)N2CCC[C@H](O)C2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011783622 HE Annotated Anodyne CCN1C(=O)C[C@](CC(=O)N2CCC[C@H](O)C2)(c2cccc(C(F)(F)F)c2)C1=O ZINC000011783623 HE Annotated Anodyne CCOC(=O)C[C@@H]1COCCN1C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000011815964 HE Annotated Anodyne CCOC(=O)C[C@H]1COCCN1C(=O)c1cc(COc2ccc(F)c(F)c2)on1 ZINC000011815965 HE Annotated Anodyne COc1ccccc1OCC(=O)NC[C@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000011844329 HE Annotated Anodyne COc1ccccc1OCC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 ZINC000011844330 HE Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000011872221 HE Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)C2 ZINC000011872223 HE Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@H](CNC(=O)[C@H]1CCC(=O)N1)C2 ZINC000011872225 HE Annotated Anodyne COC(=O)c1ccccc1-c1cc(C)cc2c1O[C@@H](CNC(=O)[C@H]1CCC(=O)N1)C2 ZINC000011872227 HE Annotated Anodyne COCCN1C[C@H](CNC(=O)c2cc(COc3ccc(C)c(C)c3)on2)CC1=O ZINC000011874752 HE Annotated Anodyne COCCN1C[C@@H](CNC(=O)c2cc(COc3ccc(C)c(C)c3)on2)CC1=O ZINC000011874753 HE Annotated Anodyne CCn1cc(CNC(=O)CC[C@@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cn1 ZINC000011880942 HE Annotated Anodyne CCn1cc(CNC(=O)CC[C@]2(Cc3ccc(OC)cc3F)CCC(=O)N2)cn1 ZINC000011880943 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(C)Cc2cc(C3CC3)[nH]n2)n1C[C@@H]1CCCO1 ZINC000011935893 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(C)Cc2cc(C3CC3)[nH]n2)n1C[C@H]1CCCO1 ZINC000011935894 HE Annotated Anodyne COc1ccc(O)c(CN2CCC3(CC[C@@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000011995417 HE Annotated Clean COc1ccc(O)c(CN2CCC3(CC[C@H](CNC(=O)[C@@H]4CCCO4)O3)CC2)c1 ZINC000011995418 HE Annotated Clean COc1ccc(O)c(CN2CCC3(CC[C@@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000011995419 HE Annotated Clean COc1ccc(O)c(CN2CCC3(CC[C@H](CNC(=O)[C@H]4CCCO4)O3)CC2)c1 ZINC000011995420 HE Annotated Clean Cc1nn(CC(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)c(=O)c2ccccc12 ZINC000011998648 HE Annotated Anodyne Cc1nn(CC(=O)NC[C@H]2CC(Cc3cccc(F)c3)=NO2)c(=O)c2ccccc12 ZINC000011998650 HE Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@@H](O)C(F)(F)F)n2)cc1OC ZINC000115137467 HE Annotated Anodyne CC(C)Nc1nc(-c2ccc(CC(=O)N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115621956 HE Annotated Anodyne COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O ZINC000115621984 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CCOC3)c2c1=O ZINC000115622088 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(CCN4CCOCC4)cc3)nc(NC3CC3)c2c1=O ZINC000115622169 HE Annotated Anodyne CC(C)Nc1nc(-c2cccc(S(=O)(=O)NC3CC3)c2)cc2ncn(C)c(=O)c12 ZINC000115622595 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CCC(CCO)CC3)c2c1=O ZINC000115622635 HE Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(C)(=O)=O ZINC000115623969 HE Annotated Anodyne COCCNc1nc(-c2ccc(N3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624060 HE Annotated Anodyne COC[C@@H](C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624067 HE Annotated Anodyne COC[C@H](C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624069 HE Annotated Anodyne CC(C)Nc1nc(-c2cccc(S(=O)(=O)N(C)C)c2)cc2ncn(C)c(=O)c12 ZINC000115624223 HE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CCCC4)n3)cc2)CC1 ZINC000115624342 HE Annotated Anodyne COCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624350 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115624354 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(N3CC[C@@H](CO)C3)c2c1=O ZINC000115624462 HE Annotated Anodyne CN(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1S(C)(=O)=O ZINC000115624983 HE Annotated Anodyne COC[C@@H](C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2 ZINC000115625153 HE Annotated Anodyne COC[C@H](C)Nc1nc(-c2ccc(N3CCOCC3)cc2)cc2c1C(=O)N(C)CN2 ZINC000115625155 HE Annotated Anodyne CC(C)Nc1nc(-c2ccc(N(C)C)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625230 HE Annotated Anodyne CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)CC1 ZINC000115625319 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C4CCNCC4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O ZINC000115625382 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCC3CCOCC3)c2c1=O ZINC000115625431 HE Annotated Anodyne CCNS(=O)(=O)c1cccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)c1 ZINC000115625584 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](O)C3)c2c1=O ZINC000115625660 HE Annotated Anodyne Cn1cnc2cc(-c3ccc([C@@H]4CCC(=O)N4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115625997 HE Annotated Anodyne Cn1cnc2cc(-c3ccc([C@H]4CCC(=O)N4)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115626000 HE Annotated Anodyne Cn1cnc2cc(-c3cccc(S(=O)(=O)NC4CC4)c3)nc(NC3CC3)c2c1=O ZINC000115626119 HE Annotated Anodyne CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@@H](F)C4)n3)cc2)CC1 ZINC000115626728 HE Annotated Anodyne CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCN(C)CC3)nc2)c(O)cc1O ZINC000115809395 HE Annotated Anodyne CC(C)c1cc(-c2nnc(S)n2-c2cccc(S(N)(=O)=O)c2)c(O)cc1O ZINC000115809472 HE Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NCc5nnc[nH]5)[nH]c4C)ccc3[nH]2)n1 ZINC000115830616 HE Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@@H]5COCCO5)[nH]c4C)ccc3[nH]2)n1 ZINC000115863155 HE Annotated Anodyne Cc1noc(-c2cc3cc(-c4nc(C(=O)NC[C@H]5COCCO5)[nH]c4C)ccc3[nH]2)n1 ZINC000115863158 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116822473 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ncccc4-c4nc(C)no4)C[C@H]3C2)n1 ZINC000116822476 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ncccc4-c4nc(C)no4)C[C@@H]3C2)n1 ZINC000116822479 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-n4ccnn4)C[C@H]3C2)n1 ZINC000116823223 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-n4ccnn4)C[C@@H]3C2)n1 ZINC000116823225 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4-n4ccnn4)C[C@H]3C2)n1 ZINC000116823226 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc(C)c1C ZINC000116823376 HE Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)nc(C)c1C ZINC000116823377 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@@H]3C2)nc(C)c1C ZINC000116823379 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)n1 ZINC000116823574 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@H]3C2)n1 ZINC000116823576 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncn(C)n4)C[C@@H]3C2)n1 ZINC000116823577 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)nc(C)c1C ZINC000116824200 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@@H]3C2)nc(C)c1C ZINC000116824203 HE Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4nnc[nH]4)C[C@H]3C2)nc(C)c1C ZINC000116824205 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]32)n1 ZINC000116824749 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cc(C)c(C)nc4-n4ccnn4)C[C@@H]32)n1 ZINC000116825229 HE Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4ncc(F)c(C)n4)C[C@@H]3C2)n1 ZINC000116825780 HE Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@H]3CN(c4ncc(F)c(C)n4)C[C@@H]3C2)n1 ZINC000116825782 HE Annotated Anodyne Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4ncc(F)c(C)n4)C[C@H]3C2)n1 ZINC000116825783 HE Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826108 HE Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 ZINC000116826110 HE Annotated Anodyne COc1ccccc1S(=O)(=O)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2C1 ZINC000116826112 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncnn4C)C[C@H]3C2)n1 ZINC000116826518 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ncnn4C)C[C@H]3C2)n1 ZINC000116826520 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ncnn4C)C[C@@H]3C2)n1 ZINC000116826522 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)nc(C)c1C ZINC000116828275 HE Annotated Anodyne Cc1nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@@H]3C2)nc(C)c1C ZINC000116828277 HE Annotated Anodyne Cc1nc(N2C[C@@H]3CN(C(=O)c4cccnc4-c4ccn[nH]4)C[C@H]3C2)nc(C)c1C ZINC000116828279 HE Annotated Anodyne Cc1cc(N2CCOCC2)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1 ZINC000117242282 HE Annotated Anodyne COC(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118395232 HE Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@@H](O)C1 ZINC000118398321 HE Annotated Anodyne O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12)N1CC[C@H](O)C1 ZINC000118398376 HE Annotated Anodyne CNC(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000118401218 HE Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)C[C@@H](C)CN31 ZINC000118726852 HE Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@H](C)C[C@H](C)CN31 ZINC000118726854 HE Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)C[C@@H](C)CN31 ZINC000118726855 HE Annotated Anodyne Cc1noc2c(F)c3c(cc12)CC1(C(=O)NC(=O)NC1=O)[C@@H]1[C@@H](C)C[C@H](C)CN31 ZINC000118726857 HE Annotated Anodyne COc1cc(CN2CCC(N3CCOCC3)CC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734790 HE Annotated Anodyne CO/N=C/C=C\C(=O)NC/C=C/[C@@H]1OC(=O)c2c(O)cccc2/C=C/C=C\C=C/[C@@H]1O ZINC000118805483 HE Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000118922582 HE Annotated Mild COc1cccc(OCc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)no2)c1 ZINC000012027473 HE Annotated Anodyne CN(C)C[C@@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CCO2 ZINC000012028917 HE Annotated Anodyne CN(C)C[C@](C)(O)c1ccc2c(c1)CN(Cc1cccn1-c1ncccn1)CCO2 ZINC000012028918 HE Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H]2CCCO2)O3)cc1 ZINC000012039678 HE Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H]2CCCO2)O3)cc1 ZINC000012039684 HE Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@H](CNC(=O)[C@H]2CCCO2)O3)cc1 ZINC000012039686 HE Annotated Anodyne CS(=O)(=O)c1ccc(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@H]2CCCO2)O3)cc1 ZINC000012039689 HE Annotated Anodyne CCO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)COC)CC2 ZINC000012041691 HE Annotated Anodyne O=C(Cn1cncn1)N(CCN1CCCCC1)C[C@@H]1CCCN(C2CCCC2)C1 ZINC000012056246 HE Annotated Anodyne O=C(Cn1cncn1)N(CCN1CCCCC1)C[C@H]1CCCN(C2CCCC2)C1 ZINC000012056251 HE Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@@H]4COCCO4)c3C)n2)c(C)s1 ZINC000012078917 HE Annotated Anodyne Cc1cc(-c2ccnc(-n3ncc(C(=O)NC[C@H]4COCCO4)c3C)n2)c(C)s1 ZINC000012078919 HE Annotated Anodyne CN(CCO)C(=O)c1cn([C@@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000012079589 HE Annotated Anodyne CN(CCO)C(=O)c1cn([C@H]2CCCN(Cc3ccc(C(F)(F)F)cc3)C2)nn1 ZINC000012079590 HE Annotated Anodyne Cn1c(C2CCC2)nc2cc(C(=O)NC(C)(C)CO)cc(NC(=O)[C@@H]3CCCO3)c21 ZINC000012099343 HE Annotated Anodyne Cn1c(C2CCC2)nc2cc(C(=O)NC(C)(C)CO)cc(NC(=O)[C@H]3CCCO3)c21 ZINC000012099344 HE Annotated Anodyne O=C(Cn1cncn1)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012111764 HE Annotated Anodyne O=C(Cn1cncn1)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000012111765 HE Annotated Anodyne COc1ccc(OC)c(-c2ccnc(-n3ncc(C(=O)N(C)CCO)c3C3CC3)n2)c1 ZINC000012129472 HE Annotated Anodyne CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 ZINC000012130653 HE Annotated Anodyne CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccc(Cl)cc1)CC2 ZINC000012130657 HE Annotated Anodyne COCCN(C)C(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C ZINC000012133042 HE Annotated Anodyne O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000012200294 HE Annotated Anodyne O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000012200305 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(CC)Cc2cnn(C)c2)n1C[C@@H]1CCCO1 ZINC000012204165 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(CC)Cc2cnn(C)c2)n1C[C@H]1CCCO1 ZINC000012204170 HE Annotated Anodyne NC(=O)[C@@H]1CCCN1Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1 ZINC000012298599 HE Annotated Anodyne COc1ccc(-c2[nH]ncc2CN2CCC(C(=O)N3CCOCC3)CC2)c(F)c1 ZINC000012299897 HE Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](N(C)CCc2ccccn2)C1 ZINC000012304330 HE Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](N(C)CCc2ccccn2)C1 ZINC000012304332 HE Annotated Anodyne COCCn1c(CN2CC[C@@H](COC)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012304843 HE Annotated Anodyne COCCn1c(CN2CC[C@H](COC)C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000012304844 HE Annotated Anodyne COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cnsn3)CC2)cc1 ZINC000012314213 HE Annotated Anodyne COCCCn1c(CN2CCN(c3ccccc3C)C[C@@H]2C)cnc1S(C)(=O)=O ZINC000012316160 HE Annotated Anodyne CCOC(=O)C1(c2ccc3c(c2)nc(Cc2ccc(C(=N)N)cc2)c(=O)n3C)CC1 ZINC000012355045 HE Annotated Anodyne N=C(N)N1CCc2ccc(OCCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1 ZINC000012355166 HE Annotated Anodyne CCOC(=O)C1CCN(C[C@@H]2COc3ccc4[nH]c(C(=O)OC)cc4c3O2)CC1 ZINC000012356309 HE Annotated Anodyne CCOC(=O)C1CCN(C[C@H]2COc3ccc4[nH]c(C(=O)OC)cc4c3O2)CC1 ZINC000012356310 HE Annotated Anodyne C[C@H](c1ccon1)N(C)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1 ZINC000012429397 HE Annotated Anodyne C[C@@H](c1ccon1)N(C)C(=O)c1cccc(OC2CCN(S(C)(=O)=O)CC2)c1 ZINC000012429398 HE Annotated Anodyne Cc1cc(C)n(C[C@H](C)NCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 ZINC000012433733 HE Annotated Anodyne Cc1cc(C)n(C[C@@H](C)NCc2c(C(=O)N3CCOCC3)nc3c(C)cccn23)n1 ZINC000012433734 HE Annotated Anodyne COCCn1c(CN2CCC(OC)CC2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000012433900 HE Annotated Anodyne CN(C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)[C@@H]1CCOC1 ZINC000012442168 HE Annotated Anodyne CN(C(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1)[C@H]1CCOC1 ZINC000012442170 HE Annotated Anodyne CN(C)/C=c1\sc2c(C#N)cc(C(=O)c3ccc(Br)cc3)n2c1=O ZINC000012466170 HE Annotated Mild COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@@H](C)n1cncn1 ZINC000012468708 HE Annotated Anodyne COCCN(CC1CCN(Cc2ccccc2F)CC1)C(=O)[C@H](C)n1cncn1 ZINC000012468712 HE Annotated Anodyne COC1=C/C(=C/NNC(=O)CCC(=O)Nc2ccc(Br)cc2)C=CC1=O ZINC000012475342 HE Annotated Reactive COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 ZINC000012479520 HE Annotated Anodyne COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000012479600 HE Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C ZINC000012479691 HE Annotated Anodyne CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(S(C)(=O)=O)cc1)C2 ZINC000012479740 HE Annotated Anodyne COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000012480188 HE Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 ZINC000012480227 HE Annotated Anodyne COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CC1 ZINC000012480301 HE Annotated Anodyne Cc1ccc(OCCN(C)C(=O)[C@@H]2CCC(=O)N(CCCN3CCCC3=O)C2)cc1 ZINC000012575901 HE Annotated Anodyne Cc1ccc(OCCN(C)C(=O)[C@H]2CCC(=O)N(CCCN3CCCC3=O)C2)cc1 ZINC000012575911 HE Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000012671097 HE Annotated Mild COc1cccc(CN(C)C(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)c1 ZINC000012718279 HE Annotated Anodyne COc1cccc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2C2Cc3ccccc3C2)c1 ZINC000012718281 HE Annotated Anodyne O=C(c1cn(C[C@@H]2CCCO2)nn1)N1CCCN(c2nc3ccccc3s2)CC1 ZINC000012718484 HE Annotated Anodyne O=C(c1cn(C[C@H]2CCCO2)nn1)N1CCCN(c2nc3ccccc3s2)CC1 ZINC000012718485 HE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1cccc(C)c1)N1C(=O)c3ccccc3NC(=O)[C@@H]21 ZINC000012726642 HE Annotated Anodyne Cc1nc(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)[C@@H]3CCCO3)C2)cs1 ZINC000012726722 HE Annotated Anodyne Cc1nc(CC(=O)N2CCc3c(cnc(C)c3CNC(=O)[C@H]3CCCO3)C2)cs1 ZINC000012726725 HE Annotated Anodyne O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1csc(N2CCOCC2)n1 ZINC000012803519 HE Annotated Reactive CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccco3)c2)CC1 ZINC000012930019 HE Annotated Anodyne O=C(CSc1ccccc1F)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000013004670 HE Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CSC(=S)NN/C=C1\C=CC=CC1=O)C2=O ZINC000013111034 HE Annotated Mild CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CSC(=S)NN/C=C1\C=CC=CC1=O)C2=O ZINC000013111035 HE Annotated Mild CCCCCCC1=Cc2c/c(=C3/NN=C(c4ccccc4OC)O3)c(=O)oc2=CC1=O ZINC000013111087 HE Annotated Mild CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013115878 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C(=O)Oc3ccccc3C2=O)c1 ZINC000013118389 HE Annotated Mild COC1=C/C(=C/C(C#N)=C2\NN=C(N3CCOCC3)N2c2ccccc2)C=CC1=O ZINC000013119121 HE Annotated Reactive Cc1cc(Cl)ccc1NC(=O)CCC(=O)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013119133 HE Annotated Reactive CCOC1=C/C(=C/NN2C(=O)NC3(CCCCC3)C2=O)C=C(Br)C1=O ZINC000013119264 HE Annotated Mild O=C1C=C/C(=C\NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C(O)=C1 ZINC000013119298 HE Annotated Reactive CCC(O)(CC)C(=O)NN/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013119333 HE Annotated Reactive COC1=CC=C/C(=C\NNC(=O)c2c(C)nc3ccc(Br)cn23)C1=O ZINC000013119350 HE Annotated Reactive O=C1C(Br)=CC(=CNN2C(=O)CSC2=S)C=C1Br ZINC000013120541 HE Annotated Mild COC1=C/C(=C/NNC(=O)c2cnn3c(C)cc(-c4ccccc4)nc23)C=CC1=O ZINC000013121699 HE Annotated Reactive COC1=C/C(=C/NNc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)C=CC1=O ZINC000013122529 HE Annotated Mild O=C1C=CC(Br)=C/C1=C\NNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000013125976 HE Annotated Reactive COC1=C/C(=C/NNC(=O)c2sc(N)c(C#N)c2C)C=C(Br)C1=O ZINC000013126140 HE Annotated Reactive O=C1C(Br)=C(O)C(Br)=C/C1=C\NNC(=O)c1cccnc1 ZINC000013130744 HE Annotated Reactive COc1cc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc(OC)c1OC ZINC000013132483 HE Annotated Anodyne COc1cc([C@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc(OC)c1OC ZINC000013132484 HE Annotated Anodyne COc1cc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc(OC)c1OC ZINC000013132485 HE Annotated Anodyne COc1cc([C@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)O)C3=N2)cc(OC)c1OC ZINC000013132486 HE Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000013133419 HE Annotated Clean CC[C@@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000013138673 HE Annotated Clean C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(N(C)C)cc1 ZINC000013138895 HE Annotated Mild C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(N(C)C)cc1 ZINC000013138896 HE Annotated Mild C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(N(C)C)cc1 ZINC000013138897 HE Annotated Mild C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(N(C)C)cc1 ZINC000013138898 HE Annotated Mild Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)C[C@@H]2C)c1 ZINC000013139538 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)C[C@H]2C)c1 ZINC000013139540 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)C[C@@H]2C)c1 ZINC000013139541 HE Annotated Anodyne CC[C@@]1(C(=O)O)N[C@H](c2cc(OC)ccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013139848 HE Annotated Clean CCOc1ccc(S(=O)(=O)N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000013144039 HE Annotated Mild CCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000013144113 HE Annotated Clean C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(OC)cc1 ZINC000013147249 HE Annotated Mild C=CCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(OC)cc1 ZINC000013147250 HE Annotated Mild C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1ccc(OC)cc1 ZINC000013147251 HE Annotated Mild C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC=C)[C@H]1c1ccc(OC)cc1 ZINC000013147252 HE Annotated Mild COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccnc4)C[C@]34C=C[C@H]2O4)c(OC)c1 ZINC000013147273 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013151527 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013151528 HE Annotated Anodyne C=CCn1c(=O)/c(=C/c2ccc(F)cc2)s/c1=C(\C#N)c1nnc2n1CCCCC2 ZINC000013152662 HE Annotated Mild COc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000013153774 HE Annotated Anodyne CCCC(=O)Nc1cn(COC)c(C(=O)N2C[C@@H]3C[C@]34C2=CC(=O)c2[nH]cc(C)c24)n1 ZINC000013218844 HE Annotated Mild CCCC(=O)Nc1cn(COC)c(C(=O)N2C[C@H]3C[C@@]34C2=CC(=O)c2[nH]cc(C)c24)n1 ZINC000013218846 HE Annotated Mild CN(C)CCc1cc2c(cc1C(=O)C(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2 ZINC000013308308 HE Annotated Clean C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=C(NCCS1(=O)=O)C3=O ZINC000013308358 HE Annotated Mild in-vivo C[C@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)C1=C(NCCS1(=O)=O)C3=O ZINC000013308360 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H]3[C@@H](COC(C)=O)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000013325654 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H]3[C@@H](CO)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12 ZINC000013325683 HE Annotated Mild biogenic C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@H]3[C@H](CO)C[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@@H]12 ZINC000013325687 HE Annotated Mild biogenic CCCCC/C=C/[C@H](O)[C@H](O)/C=C/c1c(C[C@H](O)C(C)(C)O)ccc(O)c1CO ZINC000013334650 HE Annotated Anodyne CCCCC/C=C/[C@H](O)[C@@H](O)/C=C/c1c(C[C@H](O)C(C)(C)O)ccc(O)c1CO ZINC000013334654 HE Annotated Anodyne CCN(CCn1cccn1)Cc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)nc2sccn12 ZINC000013338575 HE Annotated Anodyne CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000013338659 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000013338660 HE Annotated Reactive in-man CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000013338661 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000013338662 HE Annotated Reactive in-man CCC1=C(C(=O)OC)c2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000013360719 HE Annotated Clean COc1cc([C@H](O)[C@@H]2CO2)cc(OC)c1-c1c(OC)cc([C@H](O)[C@@H]2CO2)cc1OC ZINC000013378029 HE Annotated Anodyne in-vitro biogenic COc1cc([C@H](O)[C@@H]2CO2)cc(OC)c1-c1c(OC)cc([C@@H](O)[C@H]2CO2)cc1OC ZINC000013378032 HE Annotated Anodyne in-vitro biogenic O=S(=O)(O)OC[C@@H](O)C#CC#CCCCCCCC#C/C=C/Br ZINC000013379579 HE Annotated Mild O=S(=O)(O)OC[C@H](O)C#CC#CCCCCCCC#C/C=C/Br ZINC000013379580 HE Annotated Mild CCC[C@@H](O)C1=C(Br)[C@@](CI)(OC)OC1=O ZINC000013379608 HE Annotated Reactive CCC[C@H](O)C1=C(Br)[C@](CI)(OC)OC1=O ZINC000013379609 HE Annotated Reactive CCC[C@@H](O)C1=C(Br)[C@](CI)(OC)OC1=O ZINC000013379610 HE Annotated Reactive COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@@H]3C[C@H]12 ZINC000013380867 HE Annotated Bother COC(=O)c1cc(OC)cc(O)c1C(=O)c1c(O)cc2cc(C)oc(=O)c2c1O ZINC000013385066 HE Annotated Anodyne COC(=O)c1cc(OC)cc(OC(=O)c2c(O)cc3cc(C)oc(=O)c3c2O)c1O ZINC000013385067 HE Annotated Anodyne COC(=O)c1cc(OC)cc(O)c1OC(=O)c1c(O)cc2cc(C)oc(=O)c2c1O ZINC000013385068 HE Annotated Anodyne Cn1c(C(=O)NC/C=C/c2cnc(N)[nH]2)cc(Br)c1Br ZINC000013393255 HE Annotated Anodyne COC(=O)C[C@@]12CCCN3C(=O)C[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000013430692 HE Annotated Anodyne CC[C@@]1(O)CC[C@@]2(CO1)[C@@H]1C[C@H](O)C3=C4C(=C(C(=O)OC)C[C@@]42CN(C)C1)CC3 ZINC000013431804 HE Annotated Anodyne Cc1ccc2nc(CN3CCN(Cc4ccc5c(N)ncnc5c4)C(=O)C3)[nH]c2c1 ZINC000013439843 HE Annotated Anodyne O=[N+]([O-])c1cc([C@H](NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1 ZINC000013440495 HE Annotated Bother O=[N+]([O-])c1cc([C@@H](NCC2CCCCC2)P(=O)(O)O)c2nc(O)c(O)nc2c1 ZINC000013440497 HE Annotated Bother O=C(O)COC1CCN(C(=O)N2CCC3(CCN(c4ccncc4)CC3)C2)CC1 ZINC000013440558 HE Annotated Anodyne O=C(O)COC1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440572 HE Annotated Anodyne O=C(O)COCC1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440574 HE Annotated Anodyne O=C(O)CCN1CCC(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440598 HE Annotated Anodyne C[C@@H](CC(=O)O)N1CCC(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440600 HE Annotated Anodyne C[C@H](CC(=O)O)N1CCC(C(=O)N2CCC3(CC2)CCN(c2ccncc2)C3)CC1 ZINC000013440602 HE Annotated Anodyne Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(N3CCCCC3)c21 ZINC000013445472 HE Annotated Anodyne COc1cc([C@@H]2Oc3cc(/C=C/CO)cc(OC)c3O[C@H]2CO)cc(OC)c1O ZINC000013462104 HE Annotated Anodyne in-vitro biogenic O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1CCN1CCOCC1 ZINC000013473145 HE Annotated Anodyne CCCCn1c(=O)c2nn(S(=O)(=O)Cc3ccccc3)cc2n(CCCC)c1=O ZINC000013473880 HE Annotated Anodyne Nc1nc(O)c2c(n1)NC[C@@H](COC(=O)c1ccc(C3(C(F)(F)F)N=N3)cc1)N2 ZINC000013474440 HE Annotated Anodyne Nc1nc(O)c2c(n1)NC[C@H](COC(=O)c1ccc(C3(C(F)(F)F)N=N3)cc1)N2 ZINC000013474441 HE Annotated Anodyne Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1cccnc1 ZINC000013475465 HE Annotated Mild Nc1ncnc(C#Cc2ccc(N3CCOCC3)nc2)c1CCCc1ccncc1 ZINC000013475469 HE Annotated Mild CC(C)C[C@H](N)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCNCC2)nn1 ZINC000013478132 HE Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@@H](C(N)=O)C3)c21 ZINC000013478397 HE Annotated Bother C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478579 HE Annotated Anodyne C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478581 HE Annotated Anodyne C/C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478680 HE Annotated Anodyne C/C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478682 HE Annotated Anodyne C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/C=C/C)C3)c1 ZINC000013478688 HE Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/C=C/C)C3)c1 ZINC000013478689 HE Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478701 HE Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C(C)=C/C)C3)c1 ZINC000013478703 HE Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478714 HE Annotated Mild C=C(C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)/C=C/CC)C3)c1 ZINC000013478716 HE Annotated Mild C/C=C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C=C/C)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478752 HE Annotated Anodyne C/C=C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C=C/C)c3)=NO2)C[C@@H]1C(N)=O ZINC000013478754 HE Annotated Anodyne C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478764 HE Annotated Anodyne C/C=C/C=C\C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1 ZINC000013478766 HE Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478777 HE Annotated Anodyne C/C=C\C=C\C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC)c3)=NO2)C[C@H]1C(N)=O ZINC000013478779 HE Annotated Anodyne C=C(C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C(C)=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478781 HE Annotated Mild C=C(C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C(C)=C\C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478783 HE Annotated Mild C/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C(C)=C/C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478834 HE Annotated Anodyne C/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C(C)=C/C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478836 HE Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478838 HE Annotated Anodyne C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)C2(C)CC2)C3)c1 ZINC000013478841 HE Annotated Anodyne C=C(C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)/C=C\C=C/C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478877 HE Annotated Mild C=C(C)C(=O)N1C[C@]2(CC(c3cccc(NC(=O)/C=C\C=C/C)c3)=NO2)C[C@H]1C(N)=O ZINC000013478879 HE Annotated Mild C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013478998 HE Annotated Anodyne C/C=C\C=C/C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC)C3)c1 ZINC000013479000 HE Annotated Anodyne CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000013486245 HE Annotated Reactive in-man endogenous CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000013486246 HE Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@H]2OC1=O ZINC000013486247 HE Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000013486248 HE Annotated Reactive in-man Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000013489449 HE Annotated Mild CC(C)(C)NC(=O)NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1 ZINC000013489666 HE Annotated Anodyne COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccccc45)[C@](C(=O)NCCN(C)C)(C2)[C@H]13 ZINC000013522303 HE Annotated Anodyne COCCNC(=O)[C@@]12C[C@H]3C[C@H](CCOC)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000013522312 HE Annotated Anodyne in-vivo O=C(CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O)NO ZINC000013530621 HE Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccc(C=O)c4)cc3n2n1 ZINC000013532583 HE Annotated Anodyne O=C(O)c1ccn(-c2cc3c(cc2C(F)(F)F)nc(O)c2nc(C(=O)O)nn23)c1 ZINC000013532600 HE Annotated Anodyne COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ncc[nH]2)cc1 ZINC000013534887 HE Annotated Anodyne CN(C)C(=O)C(C)(C)c1ccc2c(c1)nc(Cc1ccc(C(=N)N)cc1)c(=O)n2C ZINC000013535247 HE Annotated Anodyne NCCCCN(CCCCN)Cc1ccc(CN(CCCCN)CCCCN)cc1 ZINC000013553208 HE Annotated Anodyne COc1ccccc1CCN/C(N)=N/c1nc(-c2ncc(CNC(C)=O)o2)cs1 ZINC000013558608 HE Annotated Mild COc1ccccc1CCN/C(N)=N\c1nc(-c2cc(CNC(C)=O)on2)cs1 ZINC000013558609 HE Annotated Mild CC(C)(COC(=O)N1CCC2(CC1)CC(=O)N(c1ccc(C(=N)N)cc1)C2)C(=O)O ZINC000013560397 HE Annotated Anodyne CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000013580024 HE Annotated Anodyne CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000013580026 HE Annotated Anodyne Cc1noc(-c2nnc3c4c(c(OCc5cccc[n+]5[O-])nn23)C2CCC4CC2)n1 ZINC000013580803 HE Annotated Anodyne COC1=C/C(=C/NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C=CC1=O ZINC000013582066 HE Annotated Reactive O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N3CCNCC3)ccc2[nH]1 ZINC000013588778 HE Annotated Anodyne O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N[C@@H]3CCNC3)ccc2[nH]1 ZINC000013588781 HE Annotated Anodyne O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N[C@H]3CCNC3)ccc2[nH]1 ZINC000013588782 HE Annotated Anodyne O=C(c1nc2ccccn2c1CNCCCn1ncc2ccccc21)N1CCOCC1 ZINC000013595349 HE Annotated Anodyne CCN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCN(C)CC5)c1c4n23 ZINC000013600096 HE Annotated Anodyne NC(N)=Nc1nc(-c2cccc(CNC(=O)CSCc3ccco3)n2)cs1 ZINC000013600789 HE Annotated Mild CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc3ccccn3)S(=O)(=O)[C@H]12 ZINC000013601881 HE Annotated Mild CCOC(=O)c1[nH]c2ccc(CCN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605893 HE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CN3C(=O)NC(C)(C)C3=O)cc2c1CCN(C)C ZINC000013605927 HE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1C1CCN(C)CC1 ZINC000013605934 HE Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1C1=CCN(C)CC1 ZINC000013605936 HE Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc(/C=C/C(=O)O)c1OC ZINC000013606973 HE Annotated Anodyne CCc1cn(C[C@H]2CN(c3ccc(C4=CCS(=O)(=O)CC4)c(F)c3)C(=O)O2)nn1 ZINC000013607969 HE Annotated Anodyne O=C(O)[C@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Br)ccc3OC(=O)[C@H]12 ZINC000013639096 HE Annotated Anodyne Cc1cc(N2CCC(COc3ccc4c(c3)CN(C(=N)N)CC4)(C(=O)O)CC2)ccn1 ZINC000013644386 HE Annotated Anodyne N=C(N)N1CCCc2ccc(OCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1 ZINC000013644401 HE Annotated Anodyne Cc1c(Sc2ccccc2)n(COCCI)c(=O)[nH]c1=O ZINC000013652190 HE Annotated Reactive C#CCNC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)[C@H](CCCO)[C@@H](OCC)O1 ZINC000013656424 HE Annotated Mild C#CCNC(=O)C1=C[C@H](c2coc3ccccc3c2=O)[C@@H](CCCO)[C@H](OCC)O1 ZINC000013656574 HE Annotated Mild COCCNC(=O)c1onc(CSc2cc(C)cc(C)c2)c1C(=O)NCCOC ZINC000013657553 HE Annotated Anodyne Cc1ccc(C(=O)NC[C@H]2CN(c3ccc(N4CCOCC4=O)cc3)C(=O)O2)s1 ZINC000013673235 HE Annotated Anodyne CC(C)CCn1c(=O)n(C2=NS(=O)(=O)c3ccccc3N2)c(=O)c2ccccc21 ZINC000013680561 HE Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2CC[C@@H]3/C(=N/OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O ZINC000013704340 HE Annotated Mild CC(C)CN(C)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1O ZINC000013727928 HE Annotated Clean CS(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3ccccn3)CC1)O2 ZINC000013728479 HE Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc12 ZINC000013737596 HE Annotated Anodyne C=C(CN(C)C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)O)c(O)c2)cc1 ZINC000013741925 HE Annotated Mild C=C(CN(C)C)C(=O)c1ccc(OS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000013741926 HE Annotated Mild COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(C)n(C)c(=O)c1)C2=O ZINC000013744335 HE Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1F)C(=O)CC2 ZINC000013744824 HE Annotated Anodyne CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@@H](CC(=O)O)N2 ZINC000013763791 HE Annotated Anodyne O=C(O)[C@H](O)[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O ZINC000013781072 HE Annotated Anodyne O=C(O)[C@@H](O)[C@@](O)(C[C@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O ZINC000013781073 HE Annotated Anodyne O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccccc1Br ZINC000013781452 HE Annotated Anodyne O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1cccc(Br)c1 ZINC000013781454 HE Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000013781912 HE Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000013781913 HE Annotated Anodyne CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1 ZINC000013797342 HE Annotated Anodyne CC(C)(C)C#C[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803105 HE Annotated Mild CC(C)(C)C#C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1 ZINC000013803107 HE Annotated Mild O=C(O)C[C@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccs1 ZINC000013803111 HE Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(NC(C)=O)c(I)c1 ZINC000013814394 HE Annotated Anodyne CCCCC1=CC2=CC(=O)[C@@](C)(OC(=O)CC)C(=O)C2=CN1CCN1CCOCC1 ZINC000013817364 HE Annotated Mild CCCCC1=CC2=CC(=O)[C@](C)(OC(=O)CC)C(=O)C2=CN1CCN1CCOCC1 ZINC000013817367 HE Annotated Mild COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(C3CC3)N(CC(C)C)C=C2C1=O ZINC000013817378 HE Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(C3CC3)N(CC(C)C)C=C2C1=O ZINC000013817382 HE Annotated Mild C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1 ZINC000013822094 HE Annotated Mild C=C(C)[C@@H]1Cc2oc(cc2CO)[C@@H]2O[C@@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1 ZINC000013822126 HE Annotated Mild COCCOCCN(CCOC)[C@@H](C)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822174 HE Annotated Anodyne COCCOCCN(CCOC)[C@H](C)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822176 HE Annotated Anodyne O=C(NCCNCCO)[C@@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 ZINC000013829067 HE Annotated Anodyne O=C(NCCNCCO)[C@]1(C(F)(F)F)C[C@@H](CCc2ccccc2)CCCO1 ZINC000013829069 HE Annotated Anodyne O=C(NCCNCCO)[C@@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 ZINC000013829071 HE Annotated Anodyne O=C(NCCNCCO)[C@]1(C(F)(F)F)C[C@H](CCc2ccccc2)CCCO1 ZINC000013829073 HE Annotated Anodyne O=C(NCCNCCO)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829104 HE Annotated Anodyne O=C(NCCNCCO)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 ZINC000013829106 HE Annotated Anodyne CCOC(=O)N1C[C@@H](C)N(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000013831455 HE Annotated Clean CCOC(=O)N1C[C@H](C)N(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000013831456 HE Annotated Clean CCOC(=O)N1C[C@@H](C)N(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000013831457 HE Annotated Clean CCOC(=O)N1C[C@H](C)N(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000013831458 HE Annotated Clean Cc1nn(C)c(Cl)c1S(=O)(=O)N(Cc1ccco1)c1ncnc2nc[nH]c12 ZINC000013831595 HE Annotated Anodyne CCOC(=O)[C@@H](CCc1cccc(C(=N)N)c1)Cn1cnc2cc(C(=N)N)ccc21 ZINC000013835112 HE Annotated Anodyne CCOC(=O)[C@@H](CCc1cccc(C(=N)N)c1)Cn1cnc2ccc(C(=N)N)cc21 ZINC000013835113 HE Annotated Anodyne O=C(O)COCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3COc4ccccc4O3)[C@H]2C1 ZINC000013884197 HE Annotated Anodyne CN(CC[S@@](=O)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000013888470 HE Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1 ZINC000013889835 HE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C[C@@H](C)N1 ZINC000013889837 HE Annotated Anodyne CNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C1 ZINC000013889838 HE Annotated Anodyne C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1C ZINC000013889839 HE Annotated Anodyne CC(C)(O)[C@H](O)CC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@H]2[C@@H](O3)[C@@](C)(O)CC[C@H]21 ZINC000013909554 HE Annotated Anodyne CCC[C@H]1OC(C)=Cc2cc3c(c(O)c21)C(=O)C([C@@H]1OC[C@@H](O)[C@H](CO)O1)=CC3=O ZINC000013911443 HE Annotated Mild C=CC[C@]1(O)/C(=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)Nc2ccccc21 ZINC000013973371 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@H]2OC(C)=O ZINC000135756821 HE Annotated Mild CCN(CC)C(=S)N/N=C1\C(=O)N(CN2C[C@H](C)O[C@H](C)C2)c2ccccc21 ZINC000135986264 HE Annotated Mild CCN(CC)C(=S)N/N=C1\C(=O)N(CN2C[C@@H](C)O[C@H](C)C2)c2ccccc21 ZINC000135986301 HE Annotated Mild COc1cc([C@@]23OC[C@@H](Cc4cc5c(cc42)OCO5)[C@H]3CO)cc(OC)c1OC ZINC000135997053 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@@H]5C([C@H]1C5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)C24CO ZINC000136213810 HE Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000136401201 HE Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000136401258 HE Annotated Anodyne COC1=C/C(=C/Nn2c(-c3cc(C)[nH]n3)n[nH]c2=S)C=C(Br)C1=O ZINC000136411548 HE Annotated Mild NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccco1 ZINC000136605621 HE Annotated Anodyne CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000136831087 HE Annotated Reactive COC(=O)CC[C@@]12C3=CCC[C@@H]3CCC(=O)[C@]1(CO)CC[C@@H]1[C@H](C)CN(C=O)[C@@H]12 ZINC000136917119 HE Annotated Anodyne CCCCCCC1=Cc2c/c(=C3\NN=C(c4cccc(OC)c4)O3)c(=O)oc2=CC1=O ZINC000136979008 HE Annotated Mild CCCCCCC1=Cc2c/c(=C3\NN=C(c4ccccc4OC)O3)c(=O)oc2=CC1=O ZINC000137067707 HE Annotated Mild O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc(-c4ccccc4F)c3)c(=O)c12 ZINC000137079426 HE Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc(-c4ccccc4F)cc3)c(=O)c12 ZINC000137079497 HE Annotated Anodyne COc1cccc(/C=C/[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]2C)c1COC(C)=O ZINC000137145712 HE Annotated Anodyne CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000137287366 HE Annotated Mild O=C1OCC2=C1[C@@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000137435370 HE Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 ZINC000137435453 HE Annotated Anodyne C[C@]12C[C@H](C[C@]3(O)C(=O)O[C@H](c4ccoc4)[C@@H](OC(=O)c4ccccc4)[C@@H]13)OC2=O ZINC000137622467 HE Annotated Anodyne CC(C)[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O ZINC000137852921 HE Annotated Anodyne CCOC(=O)[C@H](CCc1cccc(C(=N)N)c1)Cn1cnc2ccc(C(=N)N)cc21 ZINC000137944873 HE Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@@H]1O[C@@]1(C)CC[C@@H](OC(C)=O)[C@@](C)(O)CC[C@H]2O ZINC000138040535 HE Annotated Mild 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/[S@](C)=O ZINC000138167521 HE Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C/c4cnc[nH]4)C(=O)N3[C@@H]1N(OC)c1ccccc12 ZINC000138248645 HE Annotated Mild Cc1c(C(=O)CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)[n+](=O)c2ccccc2n1O ZINC000138311071 HE Annotated Anodyne CCOc1ccc(NC(=O)C(=O)CC(=O)c2c(C)n(O)c3ccccc3[n+]2=O)cc1 ZINC000138311305 HE Annotated Anodyne CCOc1ccccc1NC(=O)C(=O)CC(=O)c1c(C)n(O)c2ccccc2[n+]1=O ZINC000138311429 HE Annotated Anodyne CC(=O)Nc1cccc(CN2Cc3c(nc4cc(-c5ccco5)[nH]n4c3=O)C2=O)c1 ZINC000138734448 HE Annotated Anodyne CO[C@@H](CC[C@H](C)[C@@H](OC(=O)C[C@@H](O)[C@@H](C)O)[C@@H](C)C(=O)O)c1cccc(O)c1 ZINC000138759580 HE Annotated Anodyne Cc1nc2ccccc2n(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1=O ZINC000138865676 HE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(OC)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000139151386 HE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000139191708 HE Annotated Anodyne CNC(=O)[C@H](C#N)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139348621 HE Annotated Mild CNC(=O)[C@@H](C#N)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 ZINC000139348732 HE Annotated Mild C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@H](OC(C)=O)C[C@@](C)(O)/C=C2\OC(=O)C(COC)=C21 ZINC000139436171 HE Annotated Mild biogenic C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@]2(O)CC(=O)C(C)=C2[C@H](O)[C@@H]1C(C)(C)OC(C)=O ZINC000139455683 HE Annotated Mild CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12 ZINC000139523518 HE Annotated Mild COc1ccc(C(=O)Cc2ccncc2Br)n2nc(C3(CO)CC3)nc12 ZINC000139763712 HE Annotated Anodyne C=C(C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@@]3(C(=C)COC3=O)[C@H](OC(C)=O)[C@@H]12)[C@@H](C)O ZINC000139829417 HE Annotated Mild O=C(Cn1cnccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 ZINC000139916610 HE Annotated Anodyne O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 ZINC000139920072 HE Annotated Anodyne O=C(Cn1cccnc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 ZINC000139920366 HE Annotated Anodyne Cc1nc(NC(=O)N2C[C@H](O)C[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000139986300 HE Annotated Anodyne Cc1nc(NC(=O)N2C[C@@H](O)C[C@H]2C(N)=O)sc1-c1csc(C(C)(C)C)n1 ZINC000139986453 HE Annotated Anodyne COC1=CC(=O)c2c(cc(CO[P@](N)(=O)N(CCCl)CCCl)n2C)C1=O ZINC000014139990 HE Annotated Reactive COc1ccc(C(=O)[C@@]2(O)CO[C@H](c3ccc(OC)c(OC)c3)[C@H]2CO)cc1OC ZINC000014435971 HE Annotated Anodyne COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(O)c1O ZINC000014437787 HE Annotated Clean COc1ccc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@H]45)[C@@H]3C2)cc1O ZINC000014487432 HE Annotated Anodyne CCOC(=O)[C@H](CCc1cccc(C(=N)N)c1)Cn1cnc2cc(C(=N)N)ccc21 ZINC000140521592 HE Annotated Anodyne C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(O)CC[C@H]3[C@H](O)C[C@@]21C ZINC000140628647 HE Annotated Reactive C[C@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)[C@H](C)C1=O ZINC000141070324 HE Annotated Mild C[C@@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)[C@H](C)C1=O ZINC000141070496 HE Annotated Mild C[C@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)[C@H](C)C1=O ZINC000141086686 HE Annotated Mild C[C@@H]1C(=N)/C(=N/Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)[C@H](C)C1=O ZINC000141086861 HE Annotated Mild Cc1csc(-c2cccc(Cn3c(=O)c4c(=O)c5[nH]cc[nH]c5c(=O)c4c3=O)c2)c1 ZINC000141145561 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@@H]3[C@H]3CCCN32)cc1 ZINC000141164890 HE Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCCN2CCNC2=O)cn1 ZINC000141327835 HE Annotated Anodyne O=C(NC(CO)CO)c1ccc(OCc2conc2-c2ccc(Cl)cc2)nc1 ZINC000141402939 HE Annotated Anodyne O=C(/C=C/c1ccc(/C=C(/C(=O)NN2CCOCC2)c2ccc(F)cc2)cc1)NO ZINC000141554570 HE Annotated Anodyne C=CC(C)(C)c1[nH]c2c(C[C@H]3O[C@]3(C)CO)cccc2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000141873374 HE Annotated Mild C[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000141903457 HE Annotated Anodyne OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000141929583 HE Annotated Anodyne OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000141944502 HE Annotated Anodyne CCNC(=O)Nc1nc2c(-c3ncccn3)cc(-c3ccc(C(N)=O)nc3)cc2[nH]1 ZINC000142495135 HE Annotated Anodyne NCCCCNc1ccc(NCCCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000142747538 HE Annotated Clean CC(C)(O)CCCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142847711 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCc3ccccn3)ccc1-2 ZINC000142851344 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CCc3ccccn3)ccc1-2 ZINC000142851560 HE Annotated Anodyne N#Cc1ccncc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142865334 HE Annotated Anodyne N#Cc1ccncc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142865548 HE Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N)CC3)n1 ZINC000142888892 HE Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)n1 ZINC000142889088 HE Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N)CC3)n1 ZINC000142889291 HE Annotated Anodyne CO[C@@H](C)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142889384 HE Annotated Anodyne Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N)CC3)n1 ZINC000142889505 HE Annotated Anodyne CO[C@H](C)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142889605 HE Annotated Anodyne Cc1nc2c(s1)CN(c1ncc(-c3cccc(CN(C)C(=O)CN)c3)cn1)CC2 ZINC000142941814 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#Cc3ccncc3)ccc1-2 ZINC000142953285 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#Cc3ccncc3)ccc1-2 ZINC000142953497 HE Annotated Anodyne CCCOCCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142957486 HE Annotated Anodyne CCCOCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142958106 HE Annotated Anodyne CC(C)[C@@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142974337 HE Annotated Anodyne CC(C)[C@H](O)CCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142974552 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#Cc3cccnc3)ccc1-2 ZINC000142975450 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#Cc3cccnc3)ccc1-2 ZINC000142975662 HE Annotated Anodyne CC(C)OCCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142980266 HE Annotated Anodyne CC(C)OCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142980722 HE Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]13C=C(Br)[C@H](O)C[C@H]1S[C@@H](C3)N2 ZINC000142986802 HE Annotated Mild CCC(O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)CC ZINC000142988041 HE Annotated Anodyne CCC(O)(C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)CC ZINC000142988280 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#Cc3ccccn3)ccc1-2 ZINC000142999581 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#Cc3ccccn3)ccc1-2 ZINC000142999788 HE Annotated Anodyne CO[C@@H](C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)C(C)C ZINC000143008674 HE Annotated Anodyne CO[C@H](C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O)C(C)C ZINC000143008893 HE Annotated Anodyne CO[C@@H](C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)C(C)C ZINC000143009056 HE Annotated Anodyne CO[C@H](C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O)C(C)C ZINC000143009259 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCc3ccccn3)ccc1-2 ZINC000143012405 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(OCc3ccccn3)ccc1-2 ZINC000143012604 HE Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000143025000 HE Annotated Anodyne N#Cc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000143025207 HE Annotated Anodyne COc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143039166 HE Annotated Anodyne COc1ncccc1-c1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143039362 HE Annotated Anodyne CCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 ZINC000143046451 HE Annotated Anodyne CCn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)cn1 ZINC000143046659 HE Annotated Anodyne CC(C)C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143049283 HE Annotated Anodyne CC(C)C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143049486 HE Annotated Anodyne CC(C)C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143049696 HE Annotated Anodyne CC(C)C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143049910 HE Annotated Anodyne O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NCc3ccco3)ccc1-2 ZINC000143062925 HE Annotated Anodyne NC1=N[C@](CF)(c2cccc(NC(=O)c3ccc(Br)cn3)n2)COC1 ZINC000143063003 HE Annotated Anodyne O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(NCc3ccco3)ccc1-2 ZINC000143063134 HE Annotated Anodyne NC1=N[C@@](CF)(c2cccc(NC(=O)c3ccc(Br)cn3)n2)COC1 ZINC000143063211 HE Annotated Anodyne COCCCCc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143093634 HE Annotated Anodyne CC(C)Nc1nc(-c2ccc3c(c2)S(=O)(=O)CCN3C)cc2ncn(C)c(=O)c12 ZINC000143103251 HE Annotated Anodyne Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@H]2CC(=O)NO2)cn1 ZINC000143146000 HE Annotated Anodyne C[C@H](Cl)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000143170975 HE Annotated Reactive O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCOCC4)s3)nc12 ZINC000143181265 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@H](O)C3)c2c1=O ZINC000143397381 HE Annotated Anodyne CC(=O)N[C@@H](C)c1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1 ZINC000143399351 HE Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1 ZINC000143401698 HE Annotated Anodyne CNC(=O)COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143406600 HE Annotated Anodyne CNC(=O)COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000143406812 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@H](O)C3)c2c1=O ZINC000143420376 HE Annotated Anodyne CO[C@H]1CC[C@@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2(C)COC2)C3=O)C[C@@H]1C ZINC000143440039 HE Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(CC2COC2)C3=O)C[C@H]1C ZINC000143440501 HE Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@]23N=C(N)N(C[C@@H]2CCO2)C3=O)C[C@H]1C ZINC000143445407 HE Annotated Anodyne CC(C)Nc1nc(-c2ccc([C@@H](C)NS(C)(=O)=O)cc2)cc2ncn(C)c(=O)c12 ZINC000143461900 HE Annotated Anodyne CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC ZINC000143475712 HE Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1 ZINC000143481392 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@@H]3CCC[C@@H]3CO)c2c1=O ZINC000143497516 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@@H](O)C3)c2c1=O ZINC000143508744 HE Annotated Anodyne COc1cc2c3c(c1OC)OC[C@@H](C)N3[C@@H]1C[C@@H]3OC(=O)C[C@@]34C=CCN3CC[C@@]21[C@H]34 ZINC000143647710 HE Annotated Clean O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3cc(N4CCOCC4)cs3)nc12 ZINC000143717431 HE Annotated Anodyne COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)c(NC(=O)[C@H](N)CO)c1 ZINC000143839853 HE Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NC(C)(C)Cc1nc(-c2ccccc2)no1 ZINC000144076386 HE Annotated Anodyne Cc1sc(CCNC(=O)c2c(C(=O)N3CCC3)nnn2C)nc1-c1ccccc1 ZINC000144078636 HE Annotated Anodyne CN(C(=O)c1cnn(C)c1C(=O)NCCc1nc(-c2ccccc2)cn1C)C1CCC1 ZINC000144088471 HE Annotated Anodyne CC(C)(O)Cn1cc2c(n1)CN([C@H]1CCO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 ZINC000144196187 HE Annotated Anodyne O=C(O)COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144711126 HE Annotated Anodyne O=C(O)COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144711318 HE Annotated Anodyne COC(=O)COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144713465 HE Annotated Anodyne COC(=O)COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 ZINC000144713658 HE Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N[C@H]3CCC[C@@H]3CO)c2c1=O ZINC000144800285 HE Annotated Anodyne Cc1cc(C(=O)N2CC(OCC(N)=O)C2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144814974 HE Annotated Anodyne Cc1cc(C(=O)N2CC(OCC(N)=O)C2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144815159 HE Annotated Anodyne CS(=O)(=O)c1cnc(-c2cc(-c3ccon3)n(Cc3ccccc3F)n2)nc1O ZINC000144830565 HE Annotated Anodyne NC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144879885 HE Annotated Anodyne NC(=O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144880083 HE Annotated Anodyne O=c1cc(-c2ccnc(NC3COC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 ZINC000144882444 HE Annotated Anodyne NC(=O)Cn1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144908708 HE Annotated Anodyne NC(=O)Cn1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 ZINC000144908907 HE Annotated Anodyne CC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)N3CC[C@@H]4C[C@@]43C(N)=O)nc1CC2 ZINC000144928299 HE Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@]2(C)CCOC(=O)[C@]2(C)[C@@H]1C ZINC000014516533 HE Annotated Anodyne COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@@H](O)[C@@H]1OC1(C)C ZINC000014587134 HE Annotated Bother in-man endogenous COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@H](O)[C@@H]1OC1(C)C ZINC000014587136 HE Annotated Bother in-man endogenous COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@@H](O)[C@H]1OC1(C)C ZINC000014587138 HE Annotated Bother in-man endogenous COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1[C@H](O)[C@H]1OC1(C)C ZINC000014587140 HE Annotated Bother in-man endogenous COc1cc2c(c(OC)c1OC)OC[C@H](c1cc(O)c(OC)c(OC)c1O)[C@H]2O ZINC000014616681 HE Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](CO)[C@H](CO)Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000014616698 HE Annotated Anodyne O=C(O)[C@@H]1CCC(=O)N1Cc1cc(O)c(O)c(Br)c1Br ZINC000014620166 HE Annotated Clean O=C(O)[C@H]1CCC(=O)N1Cc1cc(O)c(O)c(Br)c1Br ZINC000014620167 HE Annotated Clean CCCC(=O)c1c(O)c(C)c(OC)c2c1O[C@@]1(OC)[C@@](C)(C2)C(=O)O[C@@]1(C)C(=O)O ZINC000014636129 HE Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)[C@H](O)C3)c(O)c1C ZINC000014660183 HE Annotated Anodyne Cc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O ZINC000014680829 HE Annotated Anodyne in-man endogenous Cc1cc(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O ZINC000014680831 HE Annotated Anodyne in-man endogenous Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O ZINC000014680833 HE Annotated Anodyne in-man endogenous Cc1cc(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O ZINC000014680834 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681000 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681001 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681003 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681004 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O ZINC000014681027 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O ZINC000014681028 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O ZINC000014681030 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@H]2CC(C)(C)[C@H](O)[C@@H]2[C@@]2(C)C[C@@H](O)[C@@]12O ZINC000014681032 HE Annotated Anodyne in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681034 HE Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681035 HE Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681037 HE Annotated Reactive in-man endogenous Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000014681043 HE 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(CO)[C@@]12O ZINC000014681071 HE 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(CO)[C@@]12O ZINC000014681073 HE 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(CO)[C@@]12O ZINC000014681075 HE 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(CO)[C@@]12O ZINC000014681077 HE Annotated Anodyne in-man endogenous COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@](C)(O)COC(C)=O)O2 ZINC000014682379 HE Annotated Bother COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@](C)(O)COC(C)=O)O2 ZINC000014682382 HE Annotated Bother COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@@](O)(CO)CCl)O4 ZINC000014682416 HE Annotated Reactive COc1cc(Cc2ccc3cc(OC)c(=O)[nH]c3c2OS(=O)(=O)O)ccc1O ZINC000014693167 HE Annotated Anodyne in-vitro biogenic C=CC(C)(C)c1cc([C@@]2(O)COc3cc(O)cc(O)c3C2=O)c(O)c(O)c1OC ZINC000014694647 HE Annotated Mild COC(=O)c1c(OC)cc(C)c2c1Oc1c(c(C)c(O)c3c1[C@@H](O)OC3=O)OC2=O ZINC000014715887 HE Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(OC)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 ZINC000014719387 HE Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)c3c(O)c(O)c([C@H](C)CO)c(O)c3C(=O)C(=O)[C@@H]2C1(C)C ZINC000014725050 HE Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)c3c(O)c(O)c([C@@H](C)CO)c(O)c3C(=O)C(=O)[C@H]2C1(C)C ZINC000014725051 HE Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)c3c(O)c(O)c([C@H](C)CO)c(O)c3C(=O)C(=O)[C@H]2C1(C)C ZINC000014725053 HE Annotated Clean CC(=O)OC[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000014774160 HE Annotated Clean CC(=O)O[C@@H]1CCO[C@H](c2c(O)cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)C1 ZINC000014828647 HE Annotated Clean CC1=C[C@@]2(C)C[C@H](C)CC[C@H]2[C@@H](C(=O)[C@H]2C(=O)N3CC[C@H]4C(=O)O[C@@H]2[C@]43O)[C@H]1C ZINC000014851149 HE Annotated Anodyne C[C@H](O)c1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@@H]1OC(=O)C[C@@H]1O[C@H]3C ZINC000014853646 HE Annotated Clean CO[C@@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@@]21O ZINC000014855349 HE Annotated Anodyne CCO[C@@]1(c2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](c3ccc4c(c3)OCO4)OC[C@@]21O ZINC000014855353 HE Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@@H]([C@@H](O)c1ccccc1)C2=O ZINC000014918921 HE Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@H]([C@H](O)c1ccccc1)C2=O ZINC000014918922 HE Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@H]([C@@H](O)c1ccccc1)C2=O ZINC000014918924 HE Annotated Anodyne CCCCNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1 ZINC000014945783 HE Annotated Anodyne CCCCNS(=O)(=O)c1ccc(-n2nc(C(=O)O)c3c2-c2cn[nH]c2CC3)cc1 ZINC000014945841 HE Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O ZINC000014947696 HE Annotated Mild Cc1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014955285 HE Annotated Anodyne Cc1nc(N2CCC[C@H]2C(=O)NCc2ccco2)nc2cc(S(C)(=O)=O)ccc12 ZINC000014955289 HE Annotated Anodyne CC[C@@]1(O)CC[C@]2(CO1)[C@@H]1C[C@@H](O)C3=C4C(=C(C(=O)OC)C[C@@]42CN(C)C1)CC3 ZINC000014955699 HE Annotated Anodyne C[C@@H](C(=O)N1CCOc2ccc(CN(C)CCc3ccccn3)cc2C1)n1cncn1 ZINC000014971098 HE Annotated Anodyne C[C@H](C(=O)N1CCOc2ccc(CN(C)CCc3ccccn3)cc2C1)n1cncn1 ZINC000014971103 HE Annotated Anodyne O=c1c2c(OS(=O)(=O)C(F)(F)F)cc(O)cc2ncn1-c1ccc(O)cc1 ZINC000014972381 HE Annotated Unstable COc1cc(Cn2cnc3c(OC)nc(N)nc32)c(Br)c(OC)c1OC ZINC000014974567 HE Annotated Anodyne CCCc1cc(CN(C)C(=O)C[C@@]2(c3ccccc3OC)CC(=O)N(C)C2=O)n[nH]1 ZINC000014993656 HE Annotated Anodyne CCCc1cc(CN(C)C(=O)C[C@]2(c3ccccc3OC)CC(=O)N(C)C2=O)n[nH]1 ZINC000014993658 HE Annotated Anodyne CN(C)CCNc1ccc2c(c1)nc(Cc1ccc3c(c1)OCO3)n1nc(N)nc21 ZINC000145001949 HE Annotated Anodyne CN(N)/N=C(\N)c1ccn2c(-c3cccc(NC(=O)NCC(F)(F)F)c3)cnc2c1 ZINC000145033235 HE Annotated Mild OCC1CCN(c2nccnc2C2CN(c3ccc(Br)cn3)C2)CC1 ZINC000145739197 HE Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)(C[C@H](O)c2ccoc2)[C@H]2CC[C@H](O)[C@]3(CO3)[C@]12CO ZINC000146008568 HE Annotated Anodyne Cn1nccc1-c1cc2c(NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)c(C(N)=O)cnn2c1 ZINC000146045166 HE Annotated Anodyne Cn1nccc1-c1cc2c(NC3[C@H]4CC5C[C@@H]3CC(O)(C5)C4)c(C(N)=O)cnn2c1 ZINC000146045376 HE Annotated Anodyne Cn1nccc1-c1cc2c(NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)c(C(N)=O)cnn2c1 ZINC000146045572 HE Annotated Anodyne CN1CCN(c2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1 ZINC000146169766 HE Annotated Anodyne CCN1C(=O)/C(=N\Nc2ccccc2[N+](=O)[O-])c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000146285065 HE Annotated Mild CN(C)Cc1ccccc1N1CCC(Oc2nc(-c3ccncn3)cc(=O)n2C)CC1 ZINC000146498224 HE Annotated Anodyne Cn1c(OC2CCN(c3ccc([N+](=O)[O-])s3)CC2)nc(-c2ccncn2)cc1=O ZINC000146515748 HE Annotated Anodyne CN(C)Cc1ccc(N2CCC(Oc3nc(-c4ccncn4)cc(=O)n3C)CC2)cc1 ZINC000146536320 HE Annotated Clean CN1Cc2ccc(N3CCC(Oc4nc(-c5ccncn5)cc(=O)n4C)CC3)cc2C1 ZINC000146558198 HE Annotated Clean CS(=O)(=O)CCC(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000146754007 HE Annotated Anodyne Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl ZINC000146802474 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@H]3C2)n1 ZINC000147022956 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@@H]3C2)n1 ZINC000147023144 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccc(C)c4-n4ccnn4)C[C@H]3C2)n1 ZINC000147023360 HE Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H](O)C[C@H]2C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO ZINC000147074180 HE Annotated Mild COc1ncccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 ZINC000147468726 HE Annotated Anodyne CNCC[C@@]1(O)C(=O)N(c2c(O)ccc3[nH]cc(CCN(C)C)c23)c2ccccc21 ZINC000147519560 HE Annotated Anodyne N[C@@]12C[C@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1F)C2 ZINC000147737545 HE Annotated Anodyne N[C@H]1C[C@@H](N2Cc3c[nH]nc3C2)CN(Cc2cnccn2)[C@@H]1c1cc(F)ccc1F ZINC000148287853 HE Annotated Anodyne Cc1ncnc(-c2ccc(F)c(C(=O)N3CCOCC3)c2)c1C#Cc1ccc(N)nc1 ZINC000148498258 HE Annotated Mild CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@H]3[C@H](C(=O)O)c4ccoc4C[C@@H]3[C@@]12C ZINC000148744714 HE Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N(C)CCO)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000148748612 HE Annotated Mild COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 ZINC000148833389 HE Annotated Anodyne Cn1cnc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)c1 ZINC000149015033 HE Annotated Anodyne COc1cc(C2=NCC(=O)N3CCc4c(cccc4N4CCOCC4)C3=C2)ccn1 ZINC000149063948 HE Annotated Anodyne Cn1ccc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)n1 ZINC000149189034 HE Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4cnc(F)cn4)c3CCN12 ZINC000149261412 HE Annotated Anodyne O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3cccc(-c4nccnc4F)c3CCN12 ZINC000149270294 HE Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2[C@@H]1C ZINC000149372835 HE Annotated Anodyne C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2[C@H]1C ZINC000149373051 HE Annotated Anodyne Cn1c(OCC(=O)c2ccc(Br)cc2)nc(-c2ccncn2)cc1=O ZINC000149419765 HE Annotated Anodyne Cc1ccc(C(=O)N2CCN(c3ncnc(C)c3C#Cc3ccc(N)nc3)CC2)o1 ZINC000149467588 HE Annotated Mild CCc1ncnc(N2CCN(Cc3nc(C)c(C)o3)CC2)c1C#Cc1ccc(N)nc1 ZINC000149477988 HE Annotated Mild CN(C)C(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 ZINC000149582656 HE Annotated Anodyne CC(C)Nc1cc(Nc2ncc(C#N)cn2)ncc1C(=O)NC[C@@H](F)C(C)(C)O ZINC000149660518 HE Annotated Anodyne C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000149792387 HE Annotated Reactive C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000149792881 HE Annotated Reactive C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000149793674 HE Annotated Reactive C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000149794099 HE Annotated Reactive CCCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000149795106 HE Annotated Reactive CCCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O ZINC000149810471 HE Annotated Reactive Cn1ccc(-c2ccc3nc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)sc3c2)n1 ZINC000149857055 HE Annotated Mild O=C1CCC(=O)N1Cc1ccccc1N[N+](=O)c1ccccc1CN1C(=O)CCC1=O ZINC000149871058 HE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(C(C)C)O[C@H]2[C@@]1(C)F ZINC000149969728 HE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(C(C)C)O[C@H]2[C@@]1(C)F ZINC000149969959 HE Annotated Anodyne CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(CCCO)c21 ZINC000001549127 HE Annotated Anodyne COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO)cc(OC)c1O ZINC000001556418 HE Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1cc3c(cc1C[C@H](CO)[C@@H](CO)C2)OCO3 ZINC000001575134 HE Annotated Anodyne C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000001591243 HE Annotated Anodyne COP(=O)(CC(=O)[C@@H]1OC(C)(C)O[C@H]1[C@@H](O)COCc1ccccc1)OC ZINC000001626010 HE Annotated Anodyne COc1cc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000001632114 HE Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000001632115 HE Annotated Reactive C=C1O[C@H]2O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]2O1 ZINC000001634819 HE Annotated Anodyne CN(C)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(Cl)cc1Cl ZINC000001636585 HE Annotated Anodyne O=C1C[C@H](NC(=O)C(F)(F)F)c2c(Br)sc(N3CCNCC3)c21 ZINC000001638245 HE Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@@H]23)OCO4)c(OC)c1 ZINC000001640580 HE Annotated Anodyne Cc1cc2occ(S(=O)(=O)/N=C(\O)Nc3ccc(Cl)cc3)c(=O)c2c(=O)o1 ZINC000001642406 HE Annotated Mild COC(=O)CNC(=O)Nc1cc(N2C(=O)ON3[C@H]2C(C)(C)N(O)C3(C)C)ccc1C ZINC000001643614 HE Annotated Mild CCOC(=O)c1[nH]c2ccccc2c1C(=O)C[C@H](NC(=O)C(F)(F)F)C(=O)OC ZINC000001645823 HE Annotated Anodyne CC(=O)OC[C@H]1OC(c2nc3ccccc3s2)=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000001646074 HE Annotated Anodyne Cc1ccc(C(=O)Nc2ccc(CP(=O)(O)O)cc2CP(=O)(O)O)cc1N ZINC000001649360 HE Annotated Anodyne CCN(CC)c1c(-c2c(OC(C)C)c(=O)c2=O)c(=O)n2ccsc2c1OC(C)=O ZINC000001650077 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000001650145 HE Annotated Anodyne CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)c1nc(C(N)=O)cs1 ZINC000001651199 HE Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCNOCCCN1C(=O)c2ccccc2C1=O ZINC000001655135 HE Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCN)OCCCN)c(C)c2c1OC(C)(C)CC2 ZINC000001655137 HE Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3cscc3c(=O)n2N)c(S)cc1Cl ZINC000001655881 HE Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccsc3c(=O)n2N)c(S)cc1Cl ZINC000001655882 HE Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000001804201 HE Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000001804211 HE Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@H]1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccccc1 ZINC000001804222 HE Annotated Anodyne Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)s1 ZINC000001831710 HE Annotated Anodyne COc1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(OC)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000001860516 HE Annotated Anodyne COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3CO)cc(OC)c1OC ZINC000001862596 HE Annotated Anodyne CCN1C(=O)c2cc(OC)c(OC)cc2C(=O)[C@]12OC(=O)c1cc3c(cc12)OCO3 ZINC000001862759 HE Annotated Anodyne N=C(Nn1c(=S)[nH]c2ccccc2c1=O)Nn1c(=S)[nH]c2ccccc2c1=O ZINC000001862809 HE Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(O)cc1)Nc1nc(=O)c2c(=O)oc(Cl)cc2o1 ZINC000001862904 HE Annotated Anodyne COc1cc2c(=O)n(CCN(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5 ZINC000001912585 HE Annotated Bother CN(CC[S@](=O)c1ccccc1)C[C@@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000001915321 HE Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23C[C@@H](O)[C@@H](C)[C@](C)(CCC2=CCOC2=O)[C@H]3C1 ZINC000015050206 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@](C)(CCC2=CCOC2=O)[C@@H]1C ZINC000015050218 HE Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23CC(=O)[C@@H](C)[C@](C)(CCC2=CCOC2=O)[C@H]3C1 ZINC000015050225 HE Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=O)O[C@H]3C[C@](C)(O)[C@](C)(CCC4=CC(=O)OC4)[C@@H](C1)[C@@]23C ZINC000015050253 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(C[C@@H](O)C2=CC(=O)OC2)[C@@H]1C ZINC000015050298 HE Annotated Anodyne O=C(CN1CCOC1=O)N1CCC[C@@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000015067961 HE Annotated Anodyne O=C(CN1CCOC1=O)N1CCC[C@H](CNC(=O)C2(c3ccc(Cl)cc3)CC2)C1 ZINC000015067964 HE Annotated Anodyne CC(C)(C)[C@@H](Cn1ccnc1)NCc1c(C(=O)N2CCOCC2)nc2ccccn12 ZINC000015072538 HE Annotated Anodyne CC(C)(C)[C@H](Cn1ccnc1)NCc1c(C(=O)N2CCOCC2)nc2ccccn12 ZINC000015072540 HE Annotated Anodyne COCCn1c(CN2CC[C@@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000015073289 HE Annotated Anodyne COCCn1c(CN2CC[C@H](COC)C2)cnc1S(=O)(=O)CC1CCCCC1 ZINC000015073290 HE Annotated Anodyne CN(Cc1ccccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@@H]1CCCO1 ZINC000015073626 HE Annotated Anodyne CN(Cc1ccccn1)Cc1cnc(S(=O)(=O)CC2CC2)n1C[C@H]1CCCO1 ZINC000015073627 HE Annotated Anodyne O=C(c1cc2ncccn2n1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000015079646 HE Annotated Anodyne O=C(c1cc2ncccn2n1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000015079649 HE Annotated Anodyne COCCn1c(CN2CCc3[nH]ncc3C2)cnc1S(=O)(=O)C1CCCCCC1 ZINC000015080425 HE Annotated Anodyne CCCCC/C=C/[C@@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1CO ZINC000015104236 HE Annotated Anodyne CCCCC/C=C/[C@H](O)[C@@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1CO ZINC000015104238 HE Annotated Anodyne CCCCC/C=C/[C@@H](O)[C@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1CO ZINC000015104240 HE Annotated Anodyne CCCCC/C=C/[C@H](O)[C@H](O)/C=C/c1c(C[C@@H](O)C(C)(C)O)ccc(O)c1CO ZINC000015104242 HE Annotated Anodyne C=C[C@]1(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)[C@H]1C(=C)C=O ZINC000015108189 HE Annotated Reactive CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000015110460 HE Annotated Reactive in-man endogenous CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000015110462 HE Annotated Reactive in-man CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000015110464 HE Annotated Reactive in-man endogenous COc1cc(C)c(C(=O)OCc2c(OC)cc3c(c2O)C(=O)O[C@H]3O)c(O)c1C ZINC000015149117 HE Annotated Anodyne COc1cc([C@H]2OC[C@@H](C(=O)c3cc(OC)c(O)c(OC)c3)[C@@H]2CO)ccc1O ZINC000015161263 HE Annotated Anodyne CC(=O)O[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 ZINC000015195559 HE Annotated Mild in-man endogenous CC(=O)O[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 ZINC000015195561 HE Annotated Mild in-man endogenous CC(=O)O[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 ZINC000015195563 HE Annotated Mild in-man endogenous CC(=O)O[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 ZINC000015195565 HE Annotated Mild in-man endogenous COC(=O)C1=CC(=O)C=C(OC)[C@]12OC(=O)c1c(O)c(Cl)c(C)c(Cl)c1O2 ZINC000015253559 HE Annotated Mild COc1c(O)cc([C@H]2Oc3c(CNC(=O)SC)c(O)cc(O)c3C[C@@H]2O)cc1O ZINC000015262075 HE Annotated Clean COc1c(O)cc([C@H]2Oc3cc(O)c(CNC(=O)SC)c(O)c3C[C@@H]2O)cc1O ZINC000015262085 HE Annotated Clean NCCc1ccc(O[C@H]2C=C[C@@]34c5cc6c(cc5CN(C[C@H]3O)[C@@H]4C2)OCO6)cc1 ZINC000015266249 HE Annotated Anodyne COC1=C(OC)[C@]23CCc4c([N+](=O)[O-])cc(OC)c(O)c4[C@]2(CCN3C)CC1=O ZINC000015267766 HE Annotated Mild COc1ccc2c(n1)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150170120 HE Annotated Anodyne COCc1nc2c(s1)CCN(C(=O)c1cc3ncc(Br)cn3n1)CC2 ZINC000150173630 HE Annotated Anodyne O=C(c1cc2ncc(Br)cn2n1)N1CCc2cc(Cl)nnc2CC1 ZINC000150216540 HE Annotated Anodyne C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@](OC)(C1=O)[C@@H]2O ZINC000154443996 HE Annotated Mild C=CCC1=C[C@]2(OC)[C@@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@](OC)(C1=O)[C@@H]2O ZINC000154444105 HE Annotated Mild CCOC(=O)CCc1c(C)nc2nc(NCc3cccc(OC)c3OC)nn2c1O ZINC000015668995 HE Annotated Anodyne CCOC(=O)CCc1c(C)nc2nc(NCc3cc(OC)ccc3OC)nn2c1O ZINC000015669003 HE Annotated Anodyne CCOC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2c(-c3ccccc3)noc2C)C1=O ZINC000015837322 HE Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C1=O ZINC000015885029 HE Annotated Reactive COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1 ZINC000015937061 HE Annotated Reactive O=C(CNC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)OCc1ccccc1 ZINC000015937105 HE Annotated Anodyne COC(=O)C1=C(C)N(CC2CC2)C(NCCN2CCOCC2)=N[C@H]1c1ccccc1 ZINC000015937386 HE Annotated Anodyne COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000015941680 HE Annotated Anodyne COC1=C/C(=C/NN2C(=O)NC3(CCC(C)CC3)C2=O)C=C(Br)C1=O ZINC000015953010 HE Annotated Mild CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1 ZINC000015953019 HE Annotated Reactive CC(C)S(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12 ZINC000015953227 HE Annotated Anodyne CCOC(=O)c1sc(-n2[nH]c(C)c(/C=C3/C=CC(=O)C(OC)=C3)c2=O)nc1C ZINC000015974063 HE Annotated Mild COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H](C)Nc2cccc3ccccc23)C1=O ZINC000015974309 HE Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H](C)Nc2cccc3ccccc23)C1=O ZINC000015974310 HE Annotated Reactive COc1cccc(-c2c(C(=O)N/N=C\c3ccc(C)s3)nnn2-c2nonc2N)c1 ZINC000015978522 HE Annotated Reactive COc1ccc(/C=N\n2c(S)nnc2-c2[nH]nc3c2CCC3)c(OC)c1OC ZINC000015987704 HE Annotated Mild Cn1c(O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c(=O)c2ccccc21 ZINC000015990538 HE Annotated Reactive Cn1c(O)c(C(=O)NNC(=O)c2ccccc2Br)c(=O)c2ccccc21 ZINC000015990540 HE Annotated Reactive C/C=C/CC/C(O)=C1/C(=O)C(C)=C(O)[C@@]2(C)OC(=O)[C@@](C)(NC(=O)/C=C/C(=O)O)[C@@H]12 ZINC000156103785 HE Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000156607020 HE Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)C2=CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000157105941 HE Annotated Anodyne COC(=O)C(Cc1ccccc1)(Cc1ccc(NS(=O)(=O)O)cc1)C(=O)OC ZINC000016052091 HE Annotated Anodyne in-vivo O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000016134115 HE Annotated Reactive C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1OC(C)=O ZINC000164870627 HE Annotated Anodyne CN(c1ccc(-c2csc(CC(=S)N3CCOCC3)n2)cc1)S(C)(=O)=O ZINC000016940384 HE Annotated Anodyne C=C1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1[C@@H](O)c1ccc(S(=O)(=O)O)cc1 ZINC000016953400 HE Annotated Anodyne CCOC(=O)Nc1cc2c(c(=O)[nH]1)N=C(CN(C)c1ccc(C(=O)OC)cc1)CN2 ZINC000016955787 HE Annotated Anodyne N#C[C@@H](C(=O)/C(=N/Nc1nc(S)nn1N)[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000016957363 HE Annotated Mild C[C@H](O)Cc1c(O)c(O)c2c(c1O)C(=O)C(O)=C1[C@@](C)(COC=O)CCC[C@@]12C ZINC000165251568 HE Annotated Mild Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1 ZINC000166317984 HE Annotated Anodyne COCCS(=O)(=O)NC1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1 ZINC000166377949 HE Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3C[C@@]3(CO)[C@@H]1C[C@H](O)[C@H]1C[C@](C)([C@H](Br)CO)CC=C12 ZINC000166568095 HE Annotated Reactive C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@@H]2/C(=C\[C@H](OC(C)=O)[C@H]3OC3(C)C)C(=O)OC[C@@H]12 ZINC000166805193 HE Annotated Mild Cc1nc(-c2ccc3c(c2)c(C#N)cn3CCNS(C)(=O)=O)sc1C(=O)O ZINC000166877080 HE Annotated Anodyne NC(=O)c1cccc2c(NC[C@H]3C=C(NC(=O)c4ccncc4)C=CC3)ncnc12 ZINC000167006245 HE Annotated Anodyne NC(=O)c1cccc2c(NC[C@@H]3C=C(NC(=O)c4ccncc4)C=CC3)ncnc12 ZINC000167006351 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4Br)C[C@H]3C2)n1 ZINC000167019203 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4Br)C[C@@H]3C2)n1 ZINC000167019317 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ncccn4)C[C@H]3C2)n1 ZINC000167181640 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccnc4-c4ncccn4)C[C@@H]3C2)n1 ZINC000167181757 HE Annotated Anodyne Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cccnc4-c4ncccn4)C[C@H]3C2)n1 ZINC000167181876 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 ZINC000169290237 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@@H]3[C@@H]3CCCN32)cc1 ZINC000169290238 HE Annotated Anodyne Cc1c(N2CC[C@@H]([C@@H](N)c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000169290823 HE Annotated Anodyne Cc1c(N2CC[C@H]([C@@H](N)c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000169290824 HE Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O ZINC000169292339 HE Annotated Reactive COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O ZINC000169292340 HE Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O ZINC000169292341 HE Annotated Reactive COc1cccc2c1O[C@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O ZINC000169292342 HE Annotated Reactive CCO[C@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000169292753 HE Annotated Anodyne CCO[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000169292754 HE Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@H](O)[C@H](O)[C@@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000169292947 HE Annotated Anodyne Cc1cc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)no1 ZINC000169293571 HE Annotated Reactive Cc1cc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 ZINC000169293572 HE Annotated Reactive C[C@@H]1COC(=O)CCC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169293719 HE Annotated Anodyne CC(C)[C@H]1NC2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21 ZINC000169293753 HE Annotated Clean CCC[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169293980 HE Annotated Clean CCC[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169293981 HE Annotated Clean CCC[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169293982 HE Annotated Clean CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)c1 ZINC000169294089 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)c1 ZINC000169294090 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC000169294091 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC000169294092 HE Annotated Anodyne O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1nccs1)[C@@H](Br)[C@@H]3Br ZINC000169294220 HE Annotated Reactive O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1nccs1 ZINC000169294221 HE Annotated Reactive O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1nccs1)[C@@H](Br)[C@@H]3Br ZINC000169294222 HE Annotated Reactive O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1nccs1 ZINC000169294223 HE Annotated Reactive O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1ccccn1)[C@@H](Br)[C@@H]3Br ZINC000169295483 HE Annotated Reactive O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1 ZINC000169295484 HE Annotated Reactive O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1ccccn1)[C@@H](Br)[C@@H]3Br ZINC000169295485 HE Annotated Reactive O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1 ZINC000169295487 HE Annotated Reactive COc1ccc2ncc(F)c(CCN3C[C@H](CNCc4ccccc4)[C@@H](O)C3)c2n1 ZINC000169295651 HE Annotated Anodyne Nc1[nH]cnc2c([C@H]3N[C@@H](CSc4cccc5ccccc45)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000169297157 HE Annotated Anodyne Nc1[nH]cnc2c([C@H]3N[C@H](CSc4cccc5ccccc45)[C@@H](O)[C@@H]3O)cnc1-2 ZINC000169297158 HE Annotated Anodyne CCC[C@@]1(C(=O)O)N[C@@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169298250 HE Annotated Clean CCC[C@]1(C(=O)O)N[C@@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169298251 HE Annotated Clean CCC[C@@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169298253 HE Annotated Clean COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H](CC(=O)O)[C@H]([C@@H]5C[C@@H]41)[C@@H]3N2 ZINC000169299118 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H](CC(=O)O)[C@H]([C@@H]5C[C@@H]41)[C@@H]3N2 ZINC000169299119 HE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169299236 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169299237 HE Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000169299238 HE Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCCCN1C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C1=O)[C@H]1C=C[C@H]2C1 ZINC000169299239 HE Annotated Anodyne C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169299480 HE Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O ZINC000169299481 HE Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@]1(C)O ZINC000169299484 HE Annotated Mild CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000169299608 HE Annotated Anodyne COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)c(OC)c1 ZINC000169299736 HE Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)c(OC)c1 ZINC000169299737 HE Annotated Anodyne CC[C@@]1(C(=O)O)N[C@@H](c2cc(OC)ccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169300036 HE Annotated Clean CC[C@]1(C(=O)O)N[C@@H](c2cc(OC)ccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169300037 HE Annotated Clean CC[C@@]1(C(=O)O)N[C@H](c2cc(OC)ccc2O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000169300038 HE Annotated Clean CCCCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2cc(C(=O)NC[C@@H](O)CO)ccc21 ZINC000169301387 HE Annotated Anodyne CCCCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2cc(C(=O)NC[C@@H](O)CO)ccc21 ZINC000169301388 HE Annotated Anodyne CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Br)o1 ZINC000169301865 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCCC[C@H]2O)CC1 ZINC000169303425 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000169303551 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@H]2CCC[C@@H](O)C2)CC1 ZINC000169303553 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCC[C@H](O)C2)CC1 ZINC000169303555 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@H]2CCC[C@H](O)C2)CC1 ZINC000169303556 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCCC[C@@H]2O)CC1 ZINC000169303843 HE Annotated Anodyne NC1=C(NS(=O)(=O)c2ccc(Br)s2)C(=O)c2ccccc2C1=O ZINC000169304581 HE Annotated Mild O=C1Nc2ccccc2-n2nnnc2[C@@H]1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000169304828 HE Annotated Anodyne O=C1Nc2ccccc2-n2nnnc2[C@H]1N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000169304829 HE Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C/[C@H]1C ZINC000169305662 HE Annotated Anodyne COc1cccc(/C=C/C(=O)N2CCN(c3nn4nnnc4c4ccccc34)CC2)c1 ZINC000169306833 HE Annotated Anodyne C=CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccc(OC)cc1 ZINC000169307568 HE Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O ZINC000169307569 HE Annotated Mild C=CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC=C)C(=O)C[C@]1(C)O ZINC000169307571 HE Annotated Mild CC[C@@]1(C(=O)O)N[C@@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169307593 HE Annotated Clean CC[C@]1(C(=O)O)N[C@@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169307594 HE Annotated Clean CC[C@@]1(C(=O)O)N[C@H](c2cccc(OC)c2O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169307596 HE Annotated Clean CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000169308577 HE Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000169308579 HE Annotated Anodyne CCCCOCCCN/C(C)=C1/C(=O)N2[C@@H](C(C)(C)C)OC[C@]2(C(=O)OCC)C1=O ZINC000169309233 HE Annotated Mild NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(C(F)(F)F)cc1 ZINC000169309406 HE Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(Br)cc1 ZINC000169309411 HE Annotated Anodyne O=S(=O)(C[C@@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@@](Br)([C@H]32)C41OCCO1)c1ccccc1 ZINC000169309860 HE Annotated Anodyne O=S(=O)(C[C@]12[C@H]3[C@H]4[C@H]5[C@@H]([C@@H]51)[C@@](Br)([C@H]32)C41OCCO1)c1ccccc1 ZINC000169309862 HE Annotated Anodyne O=S(=O)(C[C@@]12[C@H]3[C@@H]4[C@@H]3[C@@]3(Br)[C@@H]1[C@@H]2[C@@H]4C31OCCO1)c1ccccc1 ZINC000169309864 HE Annotated Anodyne O=S(=O)(C[C@]12[C@H]3[C@@H]4[C@@H]3[C@@]3(Br)[C@@H]1[C@@H]2[C@@H]4C31OCCO1)c1ccccc1 ZINC000169309866 HE Annotated Anodyne NC(=O)c1ccccc1Oc1ccc(Nc2ccccc2NC2=NNC(=O)C2)nn1 ZINC000169310463 HE Annotated Anodyne CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(\C)NCc1ccc(C)o1)C2=O ZINC000169310574 HE Annotated Mild CC(C)(C)OC(=O)N1CCN(C(=O)Nc2cnc3ccc(Cl)cn3c2=O)CC1 ZINC000169313112 HE Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1OC(C)=O ZINC000169314115 HE Annotated Anodyne O=C(O)COC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000169314455 HE Annotated Anodyne O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000169314457 HE Annotated Anodyne O=c1n(-c2ccc3c(c2)OCO3)c2ncccc2n1S(=O)(=O)c1ccc(F)cc1 ZINC000169316550 HE Annotated Anodyne COC1=C[C@H]2[C@H]3Cc4c(Br)cc(OC)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O ZINC000169318283 HE Annotated Mild O=C(Nc1nnn[nH]1)C(c1coc2ccccc2c1=O)c1coc2ccccc2c1=O ZINC000169318379 HE Annotated Anodyne C[C@H](N[C@H](C)COc1ccccc1)[C@@H](O)c1ccc(O)c(CS(=O)(=O)N(C)C)c1 ZINC000169320058 HE Annotated Anodyne C[C@H](COc1ccccc1)N[C@H](C)[C@@H](O)c1ccc(O)c(CS(=O)(=O)N(C)C)c1 ZINC000169320060 HE Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@]3(C)[C@@H](O)[C@](C)(O[C@@H]3C)[C@H]2O)c1C ZINC000169320330 HE Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@@H](N)[C@@H]1C(=O)OCC ZINC000169322147 HE Annotated Mild CCOC(=O)[C@@H](C#N)[C@H]1c2cc(Br)ccc2O[C@@H](N)[C@@H]1C(=O)OCC ZINC000169322148 HE Annotated Mild CCOC(=O)[C@H](C#N)[C@H]1c2cc(Br)ccc2O[C@@H](N)[C@@H]1C(=O)OCC ZINC000169322151 HE Annotated Mild CS(=O)(=O)Nc1ccc(C#N)cc1-c1cc2cc(C#N)ccc2n1S(C)(=O)=O ZINC000169323474 HE Annotated Mild CCOC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169323729 HE Annotated Anodyne CCOC(=O)c1ccc(Nc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 ZINC000169323730 HE Annotated Anodyne NC(=O)Cc1ccc(-c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)c(Cl)c1 ZINC000169324813 HE Annotated Anodyne COCC/C=C/[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169325413 HE Annotated Anodyne COCC/C=C/[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169325415 HE Annotated Anodyne COCC/C=C/[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169325416 HE Annotated Anodyne COCC/C=C/[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169325418 HE Annotated Anodyne Cc1ccc(OCC(=O)N/N=C\c2c(C)[nH]n(-c3ccccc3)c2=O)c([N+](=O)[O-])c1 ZINC000169325485 HE Annotated Reactive COc1ccc(CN[C@H]2CCC[C@@H]3[C@@H]2NC(=O)C(=O)N3Cc2ccc(OC)cc2)cc1 ZINC000169325645 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CCCCO ZINC000169326453 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CCCCO ZINC000169326454 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CCCCO ZINC000169326455 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CCCCO ZINC000169326457 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326645 HE Annotated Anodyne CC[C@H](O)C[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326647 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326649 HE Annotated Anodyne CC[C@H](O)C[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326652 HE Annotated Anodyne CCC[C@@H](O)[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326744 HE Annotated Anodyne CCC[C@@H](O)[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326745 HE Annotated Anodyne CCC[C@@H](O)[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326747 HE Annotated Anodyne CCC[C@@H](O)[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169326749 HE Annotated Anodyne COCCNC(=O)c1c(O)c2ncc3c(ccn3Cc3ccc(F)cc3)c2[nH]c1=O ZINC000169327009 HE Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3c2c(n(C)c(=O)n(C)c2=O)OC1(C)C ZINC000169330912 HE Annotated Anodyne O=C(O)c1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000169331584 HE Annotated Bother CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@@]21CO1 ZINC000169331755 HE Annotated Mild CC(=O)O[C@@H]1[C@@H](O[C@H]2CCCCO2)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@@]21CO1 ZINC000169331757 HE Annotated Mild COc1cc(/C=C(\C)C(=O)N2CCC=C(N3CCOCC3)C2=O)cc(OC)c1OC ZINC000169331803 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000169332251 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000169332254 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1 ZINC000169335100 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/CO ZINC000169335478 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/CO ZINC000169335479 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/CO ZINC000169335481 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41/C=C/C=C/CO ZINC000169335483 HE Annotated Anodyne CC(=O)C1=C(O)/C(=C(\O)Nc2ccc3oc(C)noc(C)nc3c2)C(=O)OC1=O ZINC000169336521 HE Annotated Reactive CCCCN1C(=O)CN(S(=O)(=O)c2ccc(-n3nc(C)cc3C)cc2)C1=S ZINC000169336819 HE Annotated Anodyne CCCN1C(=O)CCN(S(=O)(=O)c2ccc(-n3nc(C)cc3C)cc2)C1=S ZINC000169336838 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@H](C)O ZINC000169337628 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@H](C)O ZINC000169337631 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@H](C)O ZINC000169337638 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@@H](C)O ZINC000169338677 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@@H](C)O ZINC000169338679 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@@H](C)O ZINC000169338681 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@H]([C@@H]2[C@H]1C)N1CC[C@@H]3[C@@]41CC[C@@H](C)O ZINC000169338683 HE Annotated Anodyne CC[C@@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1C ZINC000169339309 HE Annotated Bother CC[C@H](C(=O)NO)[C@@H](CO)Cc1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1C ZINC000169339311 HE Annotated Bother CC[C@@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1C ZINC000169339313 HE Annotated Bother CC[C@H](C(=O)NO)[C@H](CO)Cc1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1C ZINC000169339315 HE Annotated Bother COC(=O)c1cc(Br)cnc1N1CC[C@@H](NC2CCCCC2)[C@@H](O)C1 ZINC000169340958 HE Annotated Anodyne COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1 ZINC000169340959 HE Annotated Anodyne COc1ccccc1NC1=C/C(=N/NC(N)=S)C(=O)N=C1Nc1ccccc1OC ZINC000169341080 HE Annotated Mild COc1cccc(NC2=C/C(=N/NC(N)=S)C(=O)N=C2Nc2cccc(OC)c2)c1 ZINC000169341083 HE Annotated Mild CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1c(C)cccc1C ZINC000169341576 HE Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@@]1(C)C(=O)Nc1c(C)cccc1C ZINC000169341578 HE Annotated Anodyne c1cc2cn[nH]c2cc1-n1nnc2nc(Nc3ccn(C4CCOCC4)n3)ncc21 ZINC000169341693 HE Annotated Anodyne CCn1ccc(Nc2ncc3c(nnn3-c3ccc(C(C)(C)OCCO)cc3)n2)n1 ZINC000169341696 HE Annotated Anodyne CCn1cnc2c3c(c(O)cc21)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C\3 ZINC000169342463 HE Annotated Mild CCn1cnc2c3c(c(O)cc21)C(=O)O[C@@H](C)[C@H](C)/C=C/C(=O)[C@@H](O)[C@@H](O)C/C=C\3 ZINC000169342464 HE Annotated Mild CCn1cnc2c3c(c(O)cc21)C(=O)O[C@@H](C)[C@H](C)/C=C/C(=O)[C@@H](O)[C@@H](O)C/C=C/3 ZINC000169342466 HE Annotated Mild Cc1nc2c3c(c(O)cc2n1C)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C\3 ZINC000169342542 HE Annotated Mild Cc1nc2c3c(c(O)cc2n1C)C(=O)O[C@@H](C)[C@H](C)/C=C/C(=O)[C@@H](O)[C@@H](O)C/C=C\3 ZINC000169342544 HE Annotated Mild Cc1nc2c3c(c(O)cc2n1C)C(=O)O[C@@H](C)[C@H](C)/C=C/C(=O)[C@@H](O)[C@@H](O)C/C=C/3 ZINC000169342546 HE Annotated Mild Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4nc[nH]c(=O)c34)cccc12 ZINC000169342729 HE Annotated Anodyne Cn1cc2c(Nc3nc(N[C@@H]4CCOC[C@@H]4N)cc4cc[nH]c(=O)c34)cccc2n1 ZINC000169342731 HE Annotated Anodyne CCOC(=O)O[C@@H]1C(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C[C@H]1OC(=O)OCC ZINC000169344556 HE Annotated Anodyne CCOC(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@H]1OC(=O)OCC)[C@@H]34 ZINC000169344557 HE Annotated Anodyne CSc1ccc2c(c1)c(C(N)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@@H]1N ZINC000169347364 HE Annotated Anodyne CSc1ccc2c(c1)c(C(N)=O)c(-c1ccccc1)n2C1=NNC(=S)N[C@H]1N ZINC000169347365 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000169347411 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000169347413 HE Annotated Anodyne COc1ccccc1/C=c1\c(=O)[nH]/c(=C/c2cccc(Cl)c2Cl)c(=O)n1C ZINC000169348739 HE Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)C1=C(N(C)C)C(=O)N(c2ccc(F)cc2)C1=O ZINC000169348847 HE Annotated Anodyne CCOP(=O)(OCC)[C@H](O)C1=C(N(C)C)C(=O)N(c2ccc(F)cc2)C1=O ZINC000169348848 HE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@@H]1C(=O)N(O)C(=O)c2cc(Br)ccc21 ZINC000169349232 HE Annotated Anodyne O=C(NCc1ccc(F)cc1)[C@H]1C(=O)N(O)C(=O)c2cc(Br)ccc21 ZINC000169349233 HE Annotated Anodyne COCCN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 ZINC000169349324 HE Annotated Bother COc1ccnc2c1nc(CCn1c(=O)n(C)c3nccnc31)n2-c1ccccc1 ZINC000169349812 HE Annotated Anodyne Cc1onc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)n(C)c4nccnc24)C3)c1C ZINC000169351710 HE Annotated Anodyne CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169352726 HE Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000169352727 HE Annotated Mild Cn1c(C(=O)N2CCCNCC2)c(Br)c2[nH]c(=O)c3ccccc3c21 ZINC000169352949 HE Annotated Anodyne COc1cnc2c(C(=O)NCC(F)F)cn(Cc3ncnc(N(C)C)c3C)c2c1 ZINC000169353754 HE Annotated Anodyne COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(OC(F)F)c3C)c2c1 ZINC000169353756 HE Annotated Anodyne Cc1ncc(CNC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1C#N ZINC000169354079 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000169354914 HE Annotated Mild CC1(C)C(=O)N([C@H]2[C@H]3CCC[C@@H]2C[C@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000169354915 HE Annotated Mild CC1(C)C(=O)N([C@@H]2[C@@H]3CCC[C@@H]2C[C@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000169355121 HE Annotated Mild CC1(C)C(=O)N([C@H]2[C@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000169355122 HE Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3\OC(=O)C(COC(C)=O)=C31)O2 ZINC000169356153 HE Annotated Mild COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CN1C ZINC000169356831 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CN1C ZINC000169356832 HE Annotated Anodyne COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CN1C ZINC000169356833 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169358541 HE Annotated Anodyne CCC[C@H](O)[C@]12[C@@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169358542 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169358543 HE Annotated Anodyne CCC[C@H](O)[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000169358544 HE Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000169361521 HE Annotated Mild CN1CC[C@@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362976 HE Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@@H]4SC=CN34)c3cccnc32)C1 ZINC000169362977 HE Annotated Anodyne O=C1[C@@H]2C=CC=C3C=CC=C([C@@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@H]1[C@H]32 ZINC000169363113 HE Annotated Anodyne O=C1[C@@H]2C=CC=C3C=CC=C([C@@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@H]1[C@@H]32 ZINC000169363115 HE Annotated Anodyne C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@]5([C@@H]4N(CC)C6)[C@@H]3C[C@@H]2OC(C)=O)[C@@H]1O ZINC000169363689 HE Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000169363690 HE Annotated Mild Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)C[C@@H]2C)c1 ZINC000169364633 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000169365989 HE Annotated Anodyne CN1[C@H]2C3[C@H]4N(C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169366436 HE Annotated Anodyne CN1[C@H]2C3[C@@H]4N(C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169366437 HE Annotated Anodyne CN1[C@@H]2C3[C@H]4N(C)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169366439 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@@H]4C[C@@H](CO)[C@@H](O)[C@@H]4O)c3n2)cc1 ZINC000169366539 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@H]4C[C@@H](CO)[C@@H](O)[C@@H]4O)c3n2)cc1 ZINC000169366540 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@H]4C[C@H](CO)[C@@H](O)[C@@H]4O)c3n2)cc1 ZINC000169366541 HE Annotated Anodyne CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000169368933 HE Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000169370880 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2cccs2)[C@]2(C)CC[C@@H]1C2 ZINC000169370881 HE Annotated Anodyne COC(=O)CCS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000169372030 HE Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169373036 HE Annotated Reactive C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000169373037 HE Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C=CCC[C@]34C=O)[C@]1(O)C[C@@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000169373522 HE Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C=CCC[C@]34C=O)[C@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000169373523 HE Annotated Mild COc1ccc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000169546521 HE Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@](OC)(C1=O)[C@@H]2O ZINC000169589784 HE Annotated Mild C=CCC1=C[C@@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@@](OC)(C1=O)[C@@H]2O ZINC000169589786 HE Annotated Mild COc1ccc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)O[C@@H](O)[C@H]23)cc1OC ZINC000169647056 HE Annotated Anodyne C[C@@]12CC(=O)O[C@@H]1[C@]13C[C@@]4(CO)[C@H](CC[C@H]5CCC=C5[C@]45CCC(=O)O[C@H]15)CN3C2 ZINC000169655578 HE Annotated Anodyne C=C1C(=O)OC[C@@H]2C(C)(C)CC[C@H](OC(C)=O)[C@]23COC(=O)[C@@H]2C[C@H]1CC(=O)[C@@H]23 ZINC000169658538 HE Annotated Mild CC(=O)O[C@@H]1C[C@@]2(CO2)[C@]2(CC[C@]3(C=COC3)O2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000169658748 HE Annotated Anodyne COC1=C(C)C(=O)O[C@@]12C(=O)C(C)=C1CCCCN3[C@H]([C@@H]4C[C@H](C)C(=O)O4)CC[C@@]132 ZINC000169667087 HE Annotated Mild CC[C@@H]1[C@@H]2CCCCN(C2=O)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@H]2[C@H](C)C(=O)O[C@H]21 ZINC000169670045 HE Annotated Anodyne CC[C@@H]1C(=O)CCCCN2C(=O)[C@@H](C[C@H]2[C@@H]2C[C@H](C)C(=O)O2)[C@H]2[C@H](C)C(=O)O[C@@H]12 ZINC000169671443 HE Annotated Anodyne Cc1onc([C@@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685432 HE Annotated Anodyne Cc1onc([C@H]2CC[C@@H](F)CN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685433 HE Annotated Anodyne Cc1onc([C@@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685434 HE Annotated Anodyne Cc1onc([C@H]2CC[C@H](F)CN2)c1COc1ccc(C(=O)NC(C)(C)CO)cn1 ZINC000169685435 HE Annotated Anodyne O=C(NC1CCOCC1)c1ccc(OCc2conc2[C@@H]2CC[C@@H](F)CN2)nc1 ZINC000169685441 HE Annotated Anodyne O=C(NC1CCOCC1)c1ccc(OCc2conc2[C@H]2CC[C@@H](F)CN2)nc1 ZINC000169685442 HE Annotated Anodyne O=C(NC1CCOCC1)c1ccc(OCc2conc2[C@@H]2CC[C@H](F)CN2)nc1 ZINC000169685443 HE Annotated Anodyne O=C(NC1CCOCC1)c1ccc(OCc2conc2[C@H]2CC[C@H](F)CN2)nc1 ZINC000169685444 HE Annotated Anodyne Cc1onc([C@@H]2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@@H]2CO)cn1 ZINC000169685459 HE Annotated Anodyne Cc1onc([C@H]2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@@H]2CO)cn1 ZINC000169685460 HE Annotated Anodyne Cc1onc([C@@H]2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@H]2CO)cn1 ZINC000169685465 HE Annotated Anodyne Cc1onc([C@H]2CCCNC2)c1COc1ccc(C(=O)N2CCC[C@H]2CO)cn1 ZINC000169685466 HE Annotated Anodyne COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccnc1 ZINC000169687322 HE Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccnc1 ZINC000169687323 HE Annotated Anodyne Cc1ccc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c1 ZINC000169688340 HE Annotated Anodyne Cc1ccc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c1 ZINC000169688341 HE Annotated Anodyne Cc1ccc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c1 ZINC000169688342 HE Annotated Anodyne Cc1ccc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c1 ZINC000169688343 HE Annotated Anodyne C=CC[c-]1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)c1=O ZINC000169689423 HE Annotated Reactive COc1ccc(CC(=O)N/N=C/[c-]2cc([N+](=O)[O-])cc(Br)c2=O)cc1 ZINC000169689623 HE Annotated Reactive C=c1c(C#N)c2[nH]c(N)c(C#N)c(C)c-2/c1=C\c1ccc(OCC(=O)O)c(Cl)c1 ZINC000169689808 HE Annotated Mild COC(=O)c1ccc(-n2c(O)cc(N3CCN(C(=O)c4ccco4)CC3)c2O)cc1 ZINC000169690501 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000169690682 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000169690683 HE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000169691417 HE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000169691418 HE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1OC ZINC000169691419 HE Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000169691564 HE Annotated Anodyne COC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1C(=O)O[C@@H](C)C(=O)c1ccccc1 ZINC000169691565 HE Annotated Anodyne C/C(=N\n1cc(O)[nH]c1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000169694201 HE Annotated Mild CCc1nc(N)nc(N2CCCCC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697503 HE Annotated Mild OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(C4CCCCC4)cc3)cn21 ZINC000169697551 HE Annotated Anodyne OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(C4CCCCC4)cc3)cn21 ZINC000169697552 HE Annotated Anodyne OC[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(C4CCCCC4)cc3)cn21 ZINC000169697553 HE Annotated Anodyne OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nc(CCCc3ccc(C4CCCCC4)cc3)cn21 ZINC000169697554 HE Annotated Anodyne Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CO)c3ccccc3)s2)s1 ZINC000169698030 HE Annotated Anodyne Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CO)c3ccccc3)s2)s1 ZINC000169698031 HE Annotated Anodyne CN(C)c1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12 ZINC000169698804 HE Annotated Anodyne CN(C)c1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 ZINC000169698809 HE Annotated Anodyne CN(C)c1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12 ZINC000169698819 HE Annotated Anodyne COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21N=C(N)N(CC(=O)O)C1=O ZINC000169700433 HE Annotated Mild COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(CC(=O)O)C1=O ZINC000169700434 HE Annotated Mild COCCN1C(=O)[C@@]2(N=C1N)c1cc(OC(F)F)ccc1CC21CCC(OC)CC1 ZINC000169700437 HE Annotated Anodyne COCCN1C(=O)[C@]2(N=C1N)c1cc(OC(F)F)ccc1CC21CCC(OC)CC1 ZINC000169700438 HE Annotated Anodyne COc1cccc(CO)c1C(=O)N1CC[C@@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000169701336 HE Annotated Anodyne COc1cccc(CO)c1C(=O)N1CC[C@H]2CN(c3cnc4ccccc4n3)[C@@H]2C1 ZINC000169701338 HE Annotated Anodyne CNC(=O)c1c(NC(=O)c2nc(C(C)C)ncc2Nc2cncc(F)c2)cnn1C ZINC000169701813 HE Annotated Anodyne Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cccnc2)c1C(=O)N1CCC1 ZINC000169701850 HE Annotated Anodyne Cn1nc(Nc2nc(N[C@@H](CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702564 HE Annotated Anodyne Cn1nc(Nc2nc(N[C@H](CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C ZINC000169702565 HE Annotated Anodyne N#CC1(NC(=O)Cc2nnc(Cc3nc4ccc(-c5ncccn5)cc4s3)o2)CC1 ZINC000169702911 HE Annotated Mild CCOC(=O)N[C@@H]1CC[C@@H](NC(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)CC1 ZINC000169704040 HE Annotated Anodyne CC(C)Oc1cc(-c2cc(C(=O)NC3CCC(N)CC3)c3c(N)ncnn23)ccn1 ZINC000169704068 HE Annotated Anodyne Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CCC4)c3n2)c1=O ZINC000169704292 HE Annotated Anodyne C[C@@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 ZINC000169704297 HE Annotated Anodyne C[C@H](NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1 ZINC000169704298 HE Annotated Anodyne Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4(C)CC4)c3n2)c1=O ZINC000169704299 HE Annotated Anodyne COc1cc2c(cc1OC[C@@H](O)CO)ncc1c2c(-c2ccc(C#N)cc2)nn1C ZINC000169704814 HE Annotated Mild COc1cc2c(cc1OC[C@H](O)CO)ncc1c2c(-c2ccc(C#N)cc2)nn1C ZINC000169704815 HE Annotated Mild Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC[C@@H]2CC(=O)NO2)cn1 ZINC000169707485 HE Annotated Anodyne Cc1cn(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)nn1 ZINC000169707714 HE Annotated Anodyne Cc1nc(C)n(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)n1 ZINC000169707899 HE Annotated Anodyne CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)o3)cc21 ZINC000169708953 HE Annotated Mild CN1C(=O)Cc2ccc(-c3cnc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708966 HE Annotated Mild CN1C(=O)Cc2ccc(-c3cnc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21 ZINC000169708967 HE Annotated Mild Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(Cl)nn4C)n2)cc1CN1CC(O)C1 ZINC000169709014 HE Annotated Anodyne O=C1N=Nc2nc(CN3CCN(S(=O)(=O)c4ccccc4)CC3)nc3cccc1c23 ZINC000169710175 HE Annotated Anodyne N#Cc1nc(C(=O)NCc2ccncc2)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710936 HE Annotated Mild N#Cc1nc(C(=O)NCCCCC(=O)O)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710940 HE Annotated Mild COc1cc(CNC(=O)n2sc3ncccc3c2=O)ccc1OCCN(C)C ZINC000169711341 HE Annotated Anodyne COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1 ZINC000169711366 HE Annotated Anodyne Cc1cc(CN2CC(O)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O ZINC000169711438 HE Annotated Anodyne CNCc1ccc(C(=O)Cn2ncc(OCc3ccc(OC)cn3)cc2=O)c(C)c1 ZINC000169711481 HE Annotated Anodyne Cc1nc2c(c(OC(F)F)n1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711667 HE Annotated Anodyne COc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711670 HE Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3CCc4cnn(CC(F)(F)F)c4C3)ncnn12 ZINC000169711799 HE Annotated Anodyne NCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1 ZINC000169715833 HE Annotated Anodyne CC(C)(C)[C@H]1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1CCC1CC1 ZINC000169719342 HE Annotated Anodyne CC(=O)SCCOCCOC(=O)[C@@H]1C(C)=NC(=S)N[C@@H]1c1cccc(O)c1 ZINC000169720069 HE Annotated Anodyne CC(=O)SCCOCCOC(=O)[C@H]1C(C)=NC(=S)N[C@@H]1c1cccc(O)c1 ZINC000169720070 HE Annotated Anodyne CC(=O)SCCOCCOC(=O)[C@@H]1C(C)=NC(=S)N[C@H]1c1cccc(O)c1 ZINC000169720071 HE Annotated Anodyne CC(=O)SCCOCCOC(=O)[C@H]1C(C)=NC(=S)N[C@H]1c1cccc(O)c1 ZINC000169720072 HE Annotated Anodyne C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)[C@@H]1C(=NCCS1(=O)=O)C3=O ZINC000169721081 HE Annotated Clean C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)[C@H]1C(=NCCS1(=O)=O)C3=O ZINC000169721082 HE Annotated Clean Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1 ZINC000169724672 HE Annotated Anodyne Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1cccnc1 ZINC000169724673 HE Annotated Anodyne Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccccn1 ZINC000169724674 HE Annotated Anodyne COc1cc(OC)cc(OC/C=[S@]2\NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000169725096 HE Annotated Clean COc1cc(OC)cc(OC/C=[S@@]2\NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000169725097 HE Annotated Clean CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCN1 ZINC000169728496 HE Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)C(=C=N)c1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCCN1 ZINC000169728497 HE Annotated Mild CC(C)(C)S(=O)(=O)c1ccc2c(c1)[C@@H](Nc1cncc(F)c1)C(C(N)=O)=NN2 ZINC000169729098 HE Annotated Anodyne CC(C)(C)S(=O)(=O)c1ccc2c(c1)[C@H](Nc1cncc(F)c1)C(C(N)=O)=NN2 ZINC000169729099 HE Annotated Anodyne CC(=O)OCC1(n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)CCCC1 ZINC000169729806 HE Annotated Anodyne O=C1N=C(O)C2(C(=O)N1)[C@H](c1ccc(F)cc1)NC(=O)N[C@@H]2c1ccc(F)cc1 ZINC000017086893 HE Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000017123317 HE Annotated Mild C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000017123323 HE Annotated Mild C/N=C1\OC2=C3[C@@](c4ccccc4)(O/C(=N/C)N(C)[C@]3(c3ccccc3)OC2=O)N1C ZINC000017174991 HE Annotated Mild COP(=O)(CC(=O)[C@@H]1OC(C)(C)O[C@@H]1[C@@H](O)COCc1ccccc1)OC ZINC000017198870 HE Annotated Anodyne COP(=O)(CC(=O)[C@H]1OC(C)(C)O[C@@H]1[C@@H](O)COCc1ccccc1)OC ZINC000017198872 HE Annotated Anodyne COP(=O)(CC(=O)[C@H]1OC(C)(C)O[C@H]1[C@@H](O)COCc1ccccc1)OC ZINC000017198875 HE Annotated Anodyne C=C1O[C@H]2O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]2O1 ZINC000017220524 HE Annotated Anodyne COc1ccc([C@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)c(OC)c1 ZINC000017249932 HE Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)c(OC)c1 ZINC000017249937 HE Annotated Anodyne COC(=O)CNC(=O)Nc1cc(N2C(=O)ON3[C@@H]2C(C)(C)N(O)C3(C)C)ccc1C ZINC000017254347 HE Annotated Mild CC(=O)OC[C@@H]1OC(c2nc3ccccc3s2)=C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017259369 HE Annotated Anodyne CC(=O)OC[C@H]1OC(c2nc3ccccc3s2)=C[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017259373 HE Annotated Anodyne O=C(ONC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NOC(=O)c1ccccc1)c1ccccc1 ZINC000017310899 HE Annotated Mild Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1 ZINC000017413729 HE Annotated Reactive N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000170188898 HE Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000170188901 HE Annotated Reactive N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000170188903 HE Annotated Reactive N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)c(F)c1 ZINC000170188905 HE Annotated Reactive CNc1ccc(C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000017655338 HE Annotated Reactive C=CCN1C(N)=C(C(N)=O)S/C1=C1/SC(=S)N(c2ccc(C)cc2)C1=O ZINC000017837200 HE Annotated Mild CCn1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000017889456 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000018009236 HE Annotated Anodyne COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000018258005 HE Annotated Anodyne CC(=O)Nc1cnn(-c2ccc(C(=O)N3CCN(c4cccc(C)n4)CC3)cc2)c1 ZINC000019113751 HE Annotated Anodyne Cc1nc(NCCN2CCOCC2)c2nnn(Cc3c(F)cccc3Cl)c2n1 ZINC000019240625 HE Annotated Anodyne CC(C)N1CCC(N2CCN(Cc3ccc4nsnc4c3)C[C@@H]2CCO)CC1 ZINC000019300738 HE Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000019364421 HE Annotated Anodyne CCN1CCN([C@@H](c2ccccc2F)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000019366794 HE Annotated Anodyne COc1ccc2cc(C#N)c(N3CCN(Cc4nnnn4CCC(C)C)CC3)nc2c1 ZINC000019447039 HE Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O[C@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000194975110 HE Annotated Anodyne CCN1CCN([C@H](c2ccccc2F)c2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000019528090 HE Annotated Anodyne COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC ZINC000019589847 HE Annotated Anodyne COc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC ZINC000019589848 HE Annotated Anodyne C[C@H]1CN(C(=O)c2nc3sccn3c2CN(C)CCc2cnn(C)c2)C[C@@H](C)O1 ZINC000019782339 HE Annotated Anodyne O=C(NCCc1cn2cccnc2n1)c1coc(CN2CCc3ccccc3C2)n1 ZINC000019810360 HE Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2N=Cc3sc(Br)cc3B2O)c(C)c1 ZINC000195128851 HE Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3sc(Br)cc3B2O)c(Cl)c1 ZINC000195131722 HE Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@H]1C2=O ZINC000195175445 HE Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@H]1C2=O ZINC000195175457 HE Annotated Reactive CC1(C)C(=O)N([C@@H]2[C@@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000195209226 HE Annotated Mild CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000195216336 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2ccsc2)[C@]2(C)CC[C@@H]1C2 ZINC000195216346 HE Annotated Anodyne CC1(C)C(=O)N([C@@H]2[C@@H]3CCC[C@@H]2C[C@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000195222476 HE Annotated Mild CC1(C)C(=O)N([C@H]2[C@H]3CCC[C@@H]2C[C@@H](C(N)=O)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000195222488 HE Annotated Mild COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H](CC(=O)O)[C@H]([C@@H]5C[C@H]41)[C@H]3N2 ZINC000195354047 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H](CC(=O)O)[C@H]([C@@H]5C[C@H]41)[C@@H]3N2 ZINC000195354051 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H](CC(=O)O)[C@@H]([C@@H]5C[C@H]41)[C@H]3N2 ZINC000195354057 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H](CC(=O)O)[C@@H]([C@@H]5C[C@H]41)[C@@H]3N2 ZINC000195354063 HE Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br ZINC000195379892 HE Annotated Reactive O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000195402878 HE Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CCCCCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000195402883 HE Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(Cc5cccnc5)C(=O)[C@@H]24)O3)c(OC)c1 ZINC000195408500 HE Annotated Anodyne CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195426958 HE Annotated Mild CC(C)CO/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000195426967 HE Annotated Mild CC(C)N(C(=O)[C@]12[C@@H]3[C@H]4[C@]5(C#N)[C@@H]3[C@@]1(C#N)[C@@H]5[C@]42I)C(C)C ZINC000195431160 HE Annotated Mild CC(C)N(C(=O)[C@@]12[C@@H]3[C@H]4[C@]5(C#N)[C@@H]3[C@@]1(C#N)[C@@H]5[C@]42I)C(C)C ZINC000195431164 HE Annotated Mild CC(C)N(C(=O)[C@]12[C@H]3[C@H]4[C@]5(C#N)[C@@H]3[C@@]1(C#N)[C@@H]5[C@]42I)C(C)C ZINC000195431172 HE Annotated Mild CC(C)N(C(=O)[C@@]12[C@H]3[C@H]4[C@]5(C#N)[C@@H]3[C@@]1(C#N)[C@@H]5[C@]42I)C(C)C ZINC000195431178 HE Annotated Mild O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000195434063 HE Annotated Anodyne O=S(=O)(C[C@]12[C@H]3[C@@H]4[C@@H]5[C@H]1[C@H]2[C@](Br)([C@@H]34)C51OCCO1)c1ccccc1 ZINC000195440056 HE Annotated Anodyne O=S(=O)(C[C@]12[C@H]3[C@@H]4[C@@H]5[C@H]1[C@H]2[C@@](Br)([C@@H]34)C51OCCO1)c1ccccc1 ZINC000195440061 HE Annotated Anodyne O=S(=O)(C[C@]12[C@@H]3[C@@H]4[C@H]3[C@@H]3[C@H]1[C@H]2[C@@]4(Br)C31OCCO1)c1ccccc1 ZINC000195440067 HE Annotated Anodyne O=S(=O)(C[C@]12[C@@H]3[C@@H]4[C@H]3[C@@H]3[C@H]1[C@H]2[C@]4(Br)C31OCCO1)c1ccccc1 ZINC000195440073 HE Annotated Anodyne CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC[C@H]3/C(=N/OCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]23)C1=O ZINC000195448060 HE Annotated Mild CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC[C@H]3/C(=N\OCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]23)C1=O ZINC000195448069 HE Annotated Mild CC(C)(C)N1C(=O)[C@H]2CC[C@H]3/C(=N/OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000195448077 HE Annotated Mild CC(C)(C)N1C(=O)[C@H]2CC[C@H]3/C(=N\OCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@@H]2C1=O ZINC000195448081 HE Annotated Mild COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000195450876 HE Annotated Anodyne COc1ccc(N2C(=O)[C@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000195450880 HE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@@H](OC(C)=O)O2 ZINC000195466583 HE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@]4(C(=O)OC)[C@@H](OC(C)=O)O2 ZINC000195466586 HE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000195466590 HE Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000195466596 HE Annotated Anodyne CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C1CCCCC1)c1cccc(F)c1)B(O)O ZINC000195475160 HE Annotated Reactive CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C1CCCCC1)c1cccc(F)c1)B(O)O ZINC000195475164 HE Annotated Reactive C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3\OC(=O)C(COC(C)=O)=C31)O2 ZINC000195522503 HE Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3\OC(=O)C(COC(C)=O)=C31)O2 ZINC000195524298 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(COC(=O)/C=C(\C)CCO)[C@]1(C)[C@]21CO1 ZINC000195890402 HE Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000197345709 HE Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@H]([C@H](O)c1ccccc1)C2=O ZINC000197558413 HE Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45[C@@H](O)CCC(C)(C)[C@H]4C[C@@H](O[C@@H]5OC)[C@@]3([C@@H]1O)[C@@H]2OC(C)=O ZINC000197914909 HE Annotated Mild CC1=C[C@@H]2[C@@H]3[C@@H](C(=O)[C@H]4CC[C@]3(C)O4)[C@@H](O)C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000197997203 HE Annotated Anodyne COc1cc(=O)oc(/C=C/C=C/C=C/[C@@H]2O[C@]3(C)[C@@H](O)[C@@](C)(O[C@@H]3C)[C@H]2O)c1C ZINC000198066932 HE Annotated Anodyne COc1ccc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc1OC ZINC000198345009 HE Annotated Anodyne COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc1OC ZINC000198345017 HE Annotated Anodyne COc1ccc(C(c2ccc(OC)c(OC)c2)[C@H](CO)C(CO)CO)cc1OC ZINC000198892614 HE Annotated Anodyne COc1ccc(CN2C(=O)CC[C@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000199213606 HE Annotated Anodyne COc1ccc(CN2C(=O)CC[C@@]2(C)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000199213628 HE Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1ccc(O)cc1 ZINC000199214528 HE Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCc1ccc(O)cc1 ZINC000199214542 HE Annotated Anodyne C[C@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1 ZINC000199214609 HE Annotated Anodyne C[C@@]1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(=O)N1CCOc1ccccc1 ZINC000199214628 HE Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCCCOC)C2 ZINC000199217931 HE Annotated Anodyne O=S(=O)(O)Oc1cccc2c1[C@H](O)C[C@@H](O)C21Oc2cccc3cccc(c23)O1 ZINC000199263882 HE Annotated Anodyne O=C(C(=O)N1CCC(CNC(=O)[C@H]2COc3ccccc3O2)CC1)c1cccs1 ZINC000199720885 HE Annotated Anodyne O=C(C(=O)N1CCC(CNC(=O)[C@@H]2COc3ccccc3O2)CC1)c1cccs1 ZINC000199720908 HE Annotated Anodyne C[C@H]1C[C@H](N)CN1c1nc2c(-c3ccc(F)cc3F)cc(C(=O)O)c(=O)n2cc1F ZINC000002013634 HE Annotated Anodyne COc1ccc(C(=O)COC(=O)[C@H](C(C)C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000002068394 HE Annotated Anodyne Cc1nc2c(C)cccn2c1C(=O)[C@@H]1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccccc1 ZINC000002432759 HE Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCCC(=O)NC1CCCCC1 ZINC000002455766 HE Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21 ZINC000002456155 HE Annotated Anodyne CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002456182 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nonc12)N[C@@H]1CCCc2ccccc21 ZINC000002457743 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nonc12)N[C@H]1CCCc2ccccc21 ZINC000002457744 HE Annotated Anodyne CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NC(C)C)c21 ZINC000002458874 HE Annotated Anodyne CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 ZINC000002458875 HE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCOC)c21 ZINC000002459228 HE Annotated Anodyne Cc1c(C(=O)NC(C)C)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12 ZINC000002459777 HE Annotated Anodyne CSc1ccc(CNS(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)cc1 ZINC000002464911 HE Annotated Anodyne O=C(Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21)Nc1ccc(F)cc1F ZINC000002467790 HE Annotated Anodyne O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)Nc1ccc(F)cc1F ZINC000002467792 HE Annotated Anodyne O=C([C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1)N1CCc2ccccc21 ZINC000002469247 HE Annotated Anodyne O=C([C@@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1)N1CCc2ccccc21 ZINC000002469248 HE Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c(OC)c1OC ZINC000002483802 HE Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCOCCO ZINC000002483836 HE Annotated Bother CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487201 HE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487203 HE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487206 HE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NC)CC(C)(C)O2 ZINC000002487207 HE Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002487592 HE Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002487594 HE Annotated Anodyne COCCCN[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002487597 HE Annotated Anodyne COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002487598 HE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488128 HE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488130 HE Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488131 HE Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC(C)(C)O2 ZINC000002488133 HE Annotated Anodyne COCCCN[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002491644 HE Annotated Anodyne COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002491646 HE Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491980 HE Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002491982 HE Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000002492068 HE Annotated Anodyne CC1(C)C[C@@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000002492095 HE Annotated Anodyne CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000002492098 HE Annotated Anodyne Cc1sc2ncn(CC(=O)NCCCC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c2c1C ZINC000002493844 HE Annotated Anodyne Cc1sc2ncn(CC(=O)NCCCC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c2c1C ZINC000002493846 HE Annotated Anodyne Cc1sc2ncn(CC(=O)NCCCC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c2c1C ZINC000002493848 HE Annotated Anodyne O=C(Nc1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000002494185 HE Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000020104050 HE Annotated Anodyne O=C(NC[C@H]1CCCO1)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12 ZINC000020104052 HE Annotated Anodyne CCCCNC(=O)CNC(=S)N(CCCN1CCOCC1)Cc1cccs1 ZINC000020107507 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(C)CCc2c(C)n[nH]c2C)n1C[C@@H]1CCCO1 ZINC000020110012 HE Annotated Anodyne CCCS(=O)(=O)c1ncc(CN(C)CCc2c(C)n[nH]c2C)n1C[C@H]1CCCO1 ZINC000020110013 HE Annotated Anodyne CCN1CCN(C(=O)c2cn(CC(C)C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000020116496 HE Annotated Anodyne COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccccc2Cl)c1=O ZINC000020131563 HE Annotated Anodyne CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(CC)CC1 ZINC000020155247 HE Annotated Anodyne O=C(c1cn(CCN2CCCCC2)nn1)N1CCCN(Cc2cccs2)CC1 ZINC000020201544 HE Annotated Anodyne CC(C)Cn1c(CN2CCN(c3nc4ccccc4o3)CC2)cnc1S(C)(=O)=O ZINC000020206251 HE Annotated Anodyne Cc1ccc(C(C)(C)NC(=O)[C@@H]2CCC(=O)N(CCCN3CCOCC3)C2)cc1 ZINC000020211129 HE Annotated Anodyne Cc1ccc(C(C)(C)NC(=O)[C@H]2CCC(=O)N(CCCN3CCOCC3)C2)cc1 ZINC000020211135 HE Annotated Anodyne Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(C)CC1 ZINC000020416989 HE Annotated Anodyne COc1ccc(C(=O)N2C[C@H](O)[C@@H](N(C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000020451606 HE Annotated Anodyne CCCCn1c(CN2CCC[C@@H](CN3CCOCC3)C2)cnc1S(=O)(=O)CC ZINC000020454659 HE Annotated Anodyne CCCCn1c(CN2CCC[C@H](CN3CCOCC3)C2)cnc1S(=O)(=O)CC ZINC000020454661 HE Annotated Anodyne COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCN2c2ncc(Cl)cc21 ZINC000020465121 HE Annotated Anodyne COC(=O)c1ccccc1NC(=O)CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21 ZINC000020465124 HE Annotated Anodyne CC1=C(C)[C@H]2[C@H](CC(C)C)NC(=O)[C@]23C(=O)C[C@@H](O)[C@H](O)CCC/C(C)=C/[C@H]3[C@@H]1O ZINC000200459391 HE Annotated Anodyne CCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000200465863 HE Annotated Anodyne CCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)[C@H](O)[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)C(=O)OC)[C@H]1C ZINC000200466034 HE Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)N1CCSCC1 ZINC000201480545 HE Annotated Anodyne Cc1sc2nc(COC(=O)CNC(=O)c3cc(F)ccc3F)[nH]c(=O)c2c1C ZINC000201489203 HE Annotated Anodyne CCC(=O)CC[C@]12CO[C@]34[C@@H]5CC[C@H]3[C@H](C(=O)OC)C[C@@]41CN(C)C[C@H]2CC5=O ZINC000201643070 HE Annotated Anodyne Cc1nc(NC(=O)N2C[C@H](O)C[C@@]2(C)C(N)=O)sc1-c1ccnc(C(C)(C)C)n1 ZINC000202078080 HE Annotated Anodyne CO[C@@]12C[C@H]3[C@@H](CC[C@]4(O)[C@]3(C)[C@@H](OC(C)=O)CC[C@]4(C)CO)[C@@H](C)C1=CC(=O)O2 ZINC000203393697 HE Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](C[C@@]3(C)CC(=O)[C@H](O3)[C@@H](C(=O)OCC)C(=O)C1)OC2=O ZINC000203452863 HE Annotated Mild COC(=O)c1cc(Br)cnc1N1CC[C@H](NC2CCCCC2)[C@H](O)C1 ZINC000203454849 HE Annotated Anodyne C#CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCC[C@@]21C(=O)OCC ZINC000203455843 HE Annotated Mild C#CCNC(=O)C[C@H]1C(=O)N(Cc2ccc(OC)cc2)C2=CCCCC[C@@]21C(=O)OC ZINC000203456002 HE Annotated Mild COCCCN1C(=O)[C@H](CC(=O)N2CCSCC2)[C@]2(C(=O)OC)CCCCC=C12 ZINC000203464240 HE Annotated Anodyne C=CCN1C(=O)[C@@H](CC(=O)N2CCOCC2)[C@]2(C(=O)OCC)CCCCCC=C12 ZINC000203464830 HE Annotated Mild COC(=O)[C@]1(CNC(=O)c2cc(F)ccc2F)CC(=O)N(C)[C@@H]1c1ccccc1 ZINC000203470223 HE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 ZINC000203473650 HE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)C(C)C)cc3C(=O)N2C)O1 ZINC000203473799 HE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N(C)C3CCCCC3)ccc21 ZINC000203474694 HE Annotated Anodyne COc1cc(O)cc([C@H]2OC[C@]3(O)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)c1 ZINC000203529389 HE Annotated Anodyne O=C(NCc1ccco1)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000020515553 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000020530411 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000020530413 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000020530415 HE Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000020530416 HE Annotated Anodyne O=C1CC[C@@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1CCCN1CCOCC1 ZINC000020534397 HE Annotated Anodyne O=C1CC[C@H](C(=O)N2CCc3c(Cl)cccc3C2)CN1CCCN1CCOCC1 ZINC000020534400 HE Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCC[C@@H]1c1nccs1 ZINC000020537675 HE Annotated Anodyne O=C(Cn1nnnc1CN1CCc2ccccc2C1)N1CCC[C@H]1c1nccs1 ZINC000020537679 HE Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574623 HE Annotated Anodyne CCN1CCC[C@H]1CNC(=O)CCn1cnc2onc(-c3ccc(F)cc3)c2c1=O ZINC000020574624 HE Annotated Anodyne COC(=O)c1ccccc1C(=O)N1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000020600010 HE Annotated Anodyne COc1cc(=O)n2c(c1C(=O)NCc1ccco1)CCN(Cc1cccc(C)n1)CC2 ZINC000020774208 HE Annotated Anodyne C=C1[C@@H]2CC3=C4[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@@H]([C@@H](O)O3)[C@]42C=O)[C@@H]1OC(C)=O ZINC000205073268 HE Annotated Mild Cc1ncc2c(-c3nnc4c(n3)NC(=O)C4(C)C)nn(Cc3ccccc3F)c2n1 ZINC000205093245 HE Annotated Anodyne CO[C@@]12C[C@H]3[C@@H]([C@@H](O)C[C@@]4(O)C(C)(C)CC[C@H](OC(C)=O)[C@]34C)[C@@H](C)C1=CC(=O)O2 ZINC000205184168 HE Annotated Anodyne O=C1N=C2OC(C(=O)N3CCOCC3)=CN2CCN1Cc1ccccc1C(F)(F)F ZINC000205211908 HE Annotated Anodyne CCCNC(=O)c1nnc2n1CCN(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C2 ZINC000205217642 HE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000205223943 HE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)c1 ZINC000205223958 HE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)c1 ZINC000205223973 HE Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)c1 ZINC000205223992 HE Annotated Anodyne COc1cc(OC)cc(C(=O)N2CCn3c(nnc3C(=O)NC3CCCCC3)C2)c1 ZINC000205233141 HE Annotated Anodyne O=C(NCCC(F)(F)F)C1=CN2CCN(Cc3ccc(F)cc3)C(=O)N=C2O1 ZINC000205234797 HE Annotated Anodyne CC(C)CC(=O)O[C@@H]1OC=C(CO)C2=C[C@H](OC(=O)CC(C)C)[C@](O)(CCl)[C@H]21 ZINC000205244606 HE Annotated Reactive COCn1cc([C@@H]2[C@@H](CO)OC(=O)[C@@]23CC(=O)Nc2cc(O)ccc23)c2ccccc21 ZINC000205281566 HE Annotated Anodyne COCn1cc([C@@H]2[C@@H](CO)OC(=O)C[C@]23C(=O)Nc2cc(O)ccc23)c2ccccc21 ZINC000205281605 HE Annotated Anodyne COCCN1CCN(c2nc(C(=O)Nc3ccc(NC(C)=O)cc3)cs2)C1=O ZINC000205358944 HE Annotated Anodyne Cc1ncccc1[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000205787633 HE Annotated Mild Cc1ncccc1[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000205787653 HE Annotated Mild Cc1cccnc1[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000205800215 HE Annotated Mild Cc1cccnc1[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2 ZINC000205800233 HE Annotated Mild O=C(CN1CCN(C(=O)n2nccn2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000205849736 HE Annotated Anodyne CCCCCn1nnnc1[C@@](C)(Cn1nccc1C(=O)OC)NCc1ccco1 ZINC000205857873 HE Annotated Anodyne CCCCCn1nnnc1[C@](C)(Cn1nccc1C(=O)OC)NCc1ccco1 ZINC000205857891 HE Annotated Anodyne Cn1c(C2=CCNC(=O)c3[nH]c(Br)c(Br)c32)cnc1N ZINC000206019459 HE Annotated Anodyne CC(C)NC(=O)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccn3)cc1)C2 ZINC000206022792 HE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)c2ccccc2)cc1 ZINC000206025078 HE Annotated Anodyne CCC[C@H]1[C@@H](NS(=O)(=O)c2cn(C)cn2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 ZINC000206042029 HE Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 ZINC000206057285 HE Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000206057308 HE Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206063768 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000206065690 HE Annotated Anodyne O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000206065817 HE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@@H]12 ZINC000206393467 HE Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(OC)c(OC)c3)C(=O)C[C@H]12 ZINC000206393496 HE Annotated Anodyne NC(N)=Nc1nc(-c2ccc(/N=C(\N)N3CCC[C@@H]3CN3CCCC3)cc2)cs1 ZINC000206863375 HE Annotated Mild CC1(C)OB(c2ccc(N(CCCl)CCOS(C)(=O)=O)cc2)OC1(C)C ZINC000207143970 HE Annotated Reactive CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(=O)NC)c2ncccc23)CC1 ZINC000207525087 HE Annotated Anodyne C=C(C)[C@H]1C/C=C(/C(=O)OC)CC(=O)C[C@@](C)(O)[C@@H](O)c2cc(C(=O)OC)c(o2)C1 ZINC000207608692 HE Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccc2cccnc12 ZINC000208986456 HE Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1cccc2cccnc12 ZINC000208986519 HE Annotated Anodyne Cc1ccccc1CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 ZINC000021040010 HE Annotated Anodyne Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCN(C)CC1)c(=O)n2C ZINC000021041921 HE Annotated Anodyne CCN1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(C)c2=O)CC1 ZINC000021041935 HE Annotated Anodyne CCN1CCN([C@@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097821 HE Annotated Anodyne CCN1CCN([C@H](c2ccccc2F)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000021097827 HE Annotated Anodyne CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)NCC(=O)O ZINC000210437014 HE Annotated Anodyne CC(=O)N1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 ZINC000210466998 HE Annotated Bother NNc1ccc(S(=O)(=O)C(Cl)(Br)Br)cc1[N+](=O)[O-] ZINC000213685670 HE Annotated Bother C[C@@H]1N[C@@H](SCC(=O)Nc2cccc(C(=O)O)c2)NC(=O)[C@H]1Cc1ccccc1 ZINC000214281803 HE Annotated Anodyne C[C@@H]1N[C@@H](SCC(=O)Nc2cccc(C(=O)O)c2)NC(=O)[C@@H]1Cc1ccccc1 ZINC000214281913 HE Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3-n3cc4c(=O)n(C)c(=O)n(C)c4c32)ccc1O ZINC000021659152 HE Annotated Anodyne COc1cc([C@H]2Nc3ccccc3-n3cc4c(=O)n(C)c(=O)n(C)c4c32)ccc1O ZINC000021659154 HE Annotated Anodyne Cc1ccnc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)c1 ZINC000215747025 HE Annotated Mild Cc1ccnc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)c1 ZINC000215747062 HE Annotated Mild C=Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215750081 HE Annotated Mild C=Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000215750125 HE Annotated Mild CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(COc3ccccn3)n1CCO2 ZINC000215754278 HE Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)c1[nH]c(C(N)=O)nc1-2)c1ncccn1 ZINC000215772446 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)no1 ZINC000215773489 HE Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)no1 ZINC000215774636 HE Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2CCO3)no1 ZINC000215775761 HE Annotated Mild C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(Br)cc2)n1 ZINC000215894705 HE Annotated Reactive CC[C@@H]1CN2[C@H](C(=O)O)Cc3c([nH]c4ccc(O)cc34)[C@@H]2C[C@@H]1[C@@H](CO)C(=O)OC ZINC000217021999 HE Annotated Anodyne N#C[C@H](Cc1ccc(-c2cnn3cccnc23)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219291470 HE Annotated Mild N#C[C@H](Cc1ccc(-c2ccc(C(N)=O)s2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219298369 HE Annotated Mild N#C[C@H](Cc1ccc(-c2csc(C(N)=O)c2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219301131 HE Annotated Mild N#C[C@H](Cc1ccc(C2=CCN3CCOC[C@@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219303198 HE Annotated Mild N#C[C@H](Cc1ccc(C2=CCN3CCOC[C@H]3C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219303225 HE Annotated Mild N#C[C@H](Cc1ccc(C2=C[C@@H]3COCCN3CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219303317 HE Annotated Mild N#C[C@H](Cc1ccc(C2=C[C@H]3COCCN3CC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219303350 HE Annotated Mild N#Cc1ccc(-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)cn1 ZINC000219311188 HE Annotated Mild N#C[C@H](Cc1ccc(-c2ccc3c(c2)C(=O)NC3)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219319842 HE Annotated Mild N#C[C@H](Cc1ccc(-c2cnc3cnccn23)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219321920 HE Annotated Mild COc1ccc2[nH]c(=O)c3cc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 ZINC000219321960 HE Annotated Mild COc1ccc2[nH]c(=O)c3cc(C[C@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)ccc3c2c1 ZINC000219321988 HE Annotated Mild N#C[C@H](Cc1ccc(-c2cnc3cccnn23)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219322437 HE Annotated Mild COCCn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000219323443 HE Annotated Mild COCCn1cc(-c2ccc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000219323470 HE Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC3(O)CCCC3)cc1-2 ZINC000219399647 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)no1 ZINC000219426166 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](C)CO3)no1 ZINC000219430815 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](F)CO3)no1 ZINC000219444232 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](C)CO3)no1 ZINC000219447952 HE Annotated Mild Cc1cc([C@](C)(O)C#Cc2cc3c(cc2Cl)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000219451853 HE Annotated Mild Cc1cc([C@@](C)(O)C#Cc2cc3c(cc2Cl)OCCn2cc(C(N)=O)nc2-3)no1 ZINC000219451935 HE Annotated Mild CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 ZINC000219481370 HE Annotated Mild Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3ncccn3)cc1-2 ZINC000219486606 HE Annotated Mild C[C@@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219490789 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](F)CO3)no1 ZINC000219494736 HE Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ncccn1 ZINC000219517770 HE Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)c1ncccn1 ZINC000219517844 HE Annotated Mild C[C@H]1COc2ccc(C#C[C@@](C)(O)c3ncccn3)cc2-c2nc(C(N)=O)sc21 ZINC000219543331 HE Annotated Mild C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H](O)C(F)F)c2cn1)c1ccccc1 ZINC000219749377 HE Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H](O)C(F)F)c2cn1)c1ccccc1 ZINC000219749453 HE Annotated Anodyne COc1ccc2nccc([C@H](OC(C)=O)[C@H]3C[C@@H]4CCN3C[C@@]4(O)[C@@H](C)O)c2c1 ZINC000022047341 HE Annotated Anodyne O=C1NC(c2ccccc2)=N[C@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000022133962 HE Annotated Anodyne O=C1NC(c2ccccc2)=N[C@@]1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000022133964 HE Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@H](CN1CCSCC1)N1CCSCC1 ZINC000022452736 HE Annotated Anodyne CCN1CCN([C@@H](CNS(=O)(=O)c2ccc(OC)c(C)c2)c2cccnc2)CC1 ZINC000022457259 HE Annotated Anodyne CCN1CCN([C@H](CNS(=O)(=O)c2ccc(OC)c(C)c2)c2cccnc2)CC1 ZINC000022457264 HE Annotated Anodyne Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)CN3CCN(C)CC3)cc2c1 ZINC000022459660 HE Annotated Anodyne C=CCN1CCN([C@H](c2ccc(OC)c(OC)c2)c2nnnn2C(C)(C)C)CC1 ZINC000022468900 HE Annotated Mild C=CCN1CCN([C@@H](c2ccc(OC)c(OC)c2)c2nnnn2C(C)(C)C)CC1 ZINC000022468905 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1 ZINC000220008758 HE Annotated Mild Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1 ZINC000220009777 HE Annotated Mild Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)no1 ZINC000220011026 HE Annotated Mild N#CCNc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COc3ncccc3O2)nc1=O ZINC000220167739 HE Annotated Mild N#CCNc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ncccc3O2)nc1=O ZINC000220167809 HE Annotated Mild COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccc(C(=O)O)nc4)CC3)c2c1 ZINC000220782902 HE Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(Cc4ccnc(C(=O)O)c4)CC3)c2c1 ZINC000220785943 HE Annotated Anodyne C[C@@H]1CN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)[C@H](C)CN1C ZINC000220820535 HE Annotated Mild C[C@H]1CN(C)[C@H](C)CN1c1ccc(C[C@@H](C#N)NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)c(F)c1 ZINC000220820592 HE Annotated Mild C[C@@H](C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000220947300 HE Annotated Anodyne C[C@H](C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000220947370 HE Annotated Anodyne Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)NC1CCNCC1 ZINC000221062316 HE Annotated Anodyne Cc1nc(N2CCc3c(ccc(O)c3C=O)C2)sc1C(=O)NC1CCN(C)CC1 ZINC000221062567 HE Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000221125080 HE Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000221125130 HE Annotated Anodyne N#C[C@H]1C[C@@H](NCC(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221203671 HE Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(C(F)(F)F)CC3)n2)cn1 ZINC000221203733 HE Annotated Anodyne N#C[C@H]1C[C@H](NCC(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 ZINC000221203790 HE Annotated Mild CC(C)Oc1cc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cnc1N ZINC000221217420 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC3)CC(F)C4)n2)cn1 ZINC000221376342 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)CC3)n2)cn1 ZINC000221376434 HE Annotated Anodyne Cc1cc(B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)cnc1N1CCOCC1 ZINC000221637731 HE Annotated Mild C[C@H](N[C@H](C)COc1ccccc1)[C@H](O)c1ccc(O)c(CS(=O)(=O)N(C)C)c1 ZINC000221647014 HE Annotated Anodyne C[C@H](COc1ccccc1)N[C@H](C)[C@H](O)c1ccc(O)c(CS(=O)(=O)N(C)C)c1 ZINC000221647125 HE Annotated Anodyne CNC(=O)O[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221835424 HE Annotated Mild CNC(=O)O[C@@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000221835473 HE Annotated Mild CCOC(=O)CN1CCC(CNC(=O)c2n[nH]c3ccc(Br)cc23)CC1 ZINC000221890385 HE Annotated Anodyne O=[N+]([O-])c1ccccc1/C=N/Nc1nc2c(c(N3CCOCC3)n1)CSCC2 ZINC000222043881 HE Annotated Mild O=[N+]([O-])c1ccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CSCC3)cc1 ZINC000222043964 HE Annotated Mild CNC(=O)O[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222982711 HE Annotated Mild CNC(=O)O[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1 ZINC000222982893 HE Annotated Mild O=S(=O)(Nc1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1)C1CC1 ZINC000223672718 HE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(C(C)C)O[C@@H]2[C@@]1(C)F ZINC000224146532 HE Annotated Anodyne CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(C(C)C)O[C@@H]2[C@@]1(C)F ZINC000224146583 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ccncc3=O)c2F)cn1 ZINC000224545002 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3ccncc3=O)c2F)cn1 ZINC000224545051 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3cnccc3=O)c2F)cn1 ZINC000224546446 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3cnccc3=O)c2F)cn1 ZINC000224546488 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3ncccc3=O)c2F)cn1 ZINC000224551311 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3ncccc3=O)c2F)cn1 ZINC000224551357 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)Cn3cccnc3=O)c2F)cn1 ZINC000224558863 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)Cn3cccnc3=O)c2F)cn1 ZINC000224558916 HE Annotated Anodyne N#Cc1cnn(C[C@@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1N ZINC000224560976 HE Annotated Mild N#Cc1cnn(C[C@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)c1N ZINC000224561022 HE Annotated Mild Nc1cnc(-c2ccc(C3CCC3)c(OC[C@H](O)CN3CCOCC3)c2F)cn1 ZINC000224576475 HE Annotated Anodyne Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CN3CCOCC3)c2F)cn1 ZINC000224576519 HE Annotated Anodyne C[C@@H](CO)NS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224674916 HE Annotated Anodyne C[C@H](CO)NS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224674964 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3CS(=O)(=O)N3CC(O)C3)cc2F)cn1 ZINC000224688397 HE Annotated Anodyne C[C@H](O)CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224712532 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1)C(=O)O ZINC000224734392 HE Annotated Anodyne C[C@@H](O)CNS(=O)(=O)Cc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 ZINC000224734505 HE Annotated Anodyne Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1 ZINC000224753250 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](O)C3)cc2F)cn1 ZINC000224753898 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@H](N)C3)cc2F)cn1 ZINC000224761705 HE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@H](CO)C3)cc2F)cn1 ZINC000224763862 HE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@@H](CO)C3)cc2F)cn1 ZINC000224763906 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNCC3)cc2F)cn1 ZINC000224767927 HE Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCNCC3)cc2F)cn1 ZINC000224771334 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC[C@@H](O)C3)cc2F)cn1 ZINC000224773112 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3)cc2F)cn1 ZINC000224776223 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@H](CO)C3)cc2F)cn1 ZINC000224776540 HE Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCO[C@@H](CO)C3)cc2F)cn1 ZINC000224776585 HE Annotated Anodyne C[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(N)s2)c(F)c1 ZINC000224779115 HE Annotated Anodyne NCC1CN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)C1 ZINC000224789698 HE Annotated Anodyne C[C@H](O)CNS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224801958 HE Annotated Anodyne C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 ZINC000224813250 HE Annotated Anodyne CCOC(=O)N1CCC(N2CCN(Cc3ccc(F)c(F)c3)[C@H](CCO)C2)CC1 ZINC000022852377 HE Annotated Anodyne Cn1c(=O)oc2cc([C@@H](O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc21 ZINC000022859962 HE Annotated Anodyne Cn1c(=O)oc2cc([C@H](O)CN3CCN(Cc4ccccn4)CC3)c(Cl)cc21 ZINC000022922393 HE Annotated Anodyne CCOC(=O)N1CCC(N2CCN(Cc3ccc(F)c(F)c3)[C@@H](CCO)C2)CC1 ZINC000022932742 HE Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCOC(=O)CN3CCN(C)CC3)ccc2c1 ZINC000022945092 HE Annotated Anodyne Cn1cc(CCOc2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)cn1 ZINC000225048664 HE Annotated Anodyne Cc1ccc(N2CCNCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](COc2ccccn2)C3)n1 ZINC000226053946 HE Annotated Anodyne Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)n1 ZINC000226064815 HE Annotated Anodyne Cc1cc(NC(=O)c2ncc(C#N)cn2)cc([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1F ZINC000226069745 HE Annotated Mild Cc1cc(C)nc(OC[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1 ZINC000226083187 HE Annotated Anodyne CC(=O)n1nc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1C ZINC000226087923 HE Annotated Mild CC(=O)n1nc(-c2ccc(C[C@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cc1C ZINC000226087931 HE Annotated Mild CN(C)[C@@H]1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000226096226 HE Annotated Mild CN(C)[C@H]1CCCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C1 ZINC000226096242 HE Annotated Mild COc1ccccc1CNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000226569538 HE Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000226569543 HE Annotated Anodyne CCOCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226569620 HE Annotated Anodyne CCOCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226569627 HE Annotated Anodyne O=C(c1nc2ccccn2c1CNC[C@@H]1OCCc2ccccc21)N1CCOCC1 ZINC000023129075 HE Annotated Anodyne O=C(c1nc2ccccn2c1CNC[C@H]1OCCc2ccccc21)N1CCOCC1 ZINC000023129076 HE Annotated Anodyne Cc1cccn2c(CNCCc3nc4ccccc4[nH]3)c(C(=O)N3CCOCC3)nc12 ZINC000023129597 HE Annotated Anodyne COc1cccc(OC)c1OC(=O)[C@@H](CN1CCSCC1)N1CCSCC1 ZINC000023247546 HE Annotated Anodyne COc1cccc(-c2[nH]nc3c2CN(c2nccc(N4CCC[C@@H](O)C4)n2)CC3)c1 ZINC000023478380 HE Annotated Anodyne CC(=O)O[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 ZINC000230087689 HE Annotated Mild in-man CC(=O)O[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 ZINC000230087696 HE Annotated Mild in-man CC(=O)O[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 ZINC000230087699 HE Annotated Mild in-man CC(=O)O[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 ZINC000230087705 HE Annotated Mild in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094351 HE Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094357 HE Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094361 HE Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(CO)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094365 HE Annotated Anodyne in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094369 HE Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094374 HE Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094378 HE Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O ZINC000230094382 HE Annotated Reactive in-man CC1=C2C(=O)C=C(C=O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000230095522 HE Annotated Reactive in-man CC1=C2C(=O)C=C(C=O)[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1 ZINC000230095526 HE Annotated Reactive in-man CC1=C2[C@H](C[C@@H]3CC[C@@H](O)[C@@H](C)[C@@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@@H](C)Cl)OC1=O ZINC000230103352 HE Annotated Reactive in-man CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@]3(C)[C@H](C)[C@H](O)CC[C@@H]3C[C@H]2OC1=O ZINC000230103359 HE Annotated Reactive in-man CC1=C2[C@H](C[C@H]3CC[C@@H](O)[C@@H](C)[C@@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@@H](C)Cl)OC1=O ZINC000230103364 HE Annotated Reactive in-man CC(=O)NCc1ccc(-n2nc(C(N)=O)c(Oc3ccc(Cl)cc3)cc2=O)cc1 ZINC000230497919 HE Annotated Anodyne in-vitro O=C1CN(C(=O)c2cccc(Nc3ncc(-c4ccc5c(c4)OCO5)cn3)c2)CCN1 ZINC000230563452 HE Annotated Anodyne Cc1ccc(CNC2CCN(C[C@@H]3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc1F ZINC000230565113 HE Annotated Anodyne Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@H](N1CCC(CO)CC1)C2 ZINC000023542668 HE Annotated Anodyne Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](N1CCC(CO)CC1)C2 ZINC000023542672 HE Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)OC)C[C@H](O)C[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000238731011 HE Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238731020 HE Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]2(O)CC[C@H](OC(C)=O)[C@H](C)[C@@]12C ZINC000238731035 HE Annotated Anodyne O=C(OC[C@]1(O)[C@@H](Cl)C=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1 ZINC000238731134 HE Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@H]3[C@H](O)[C@@H](CO)[C@]12O ZINC000238731196 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(CO2)[C@]2(CC[C@@]3(C=COC3)O2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000238731360 HE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(OC)cc3)[C@@H]12 ZINC000238732159 HE Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C(C)=C2CC=C(C)[C@]2(O)[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]1OC(C)=O ZINC000238732261 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@]12O)CC(C)(C)[C@@H]3O ZINC000238732365 HE Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000238732523 HE Annotated Anodyne CCO[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@@]1(O)COC(=O)c1ccccc1 ZINC000238732541 HE Annotated Anodyne CC(=O)O[C@@H]1C(C)=C2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]1OC(=O)[C@@]1(C)O[C@@H]1C ZINC000238732631 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@]23[C@@H]4CN5CC[C@@H](CC4=O)[C@H](CC[C@]12C(=O)OC)[C@@H]53 ZINC000238732667 HE Annotated Anodyne COC(=O)C1(C(=O)OC)CCC[C@]2(C=O)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@]12O ZINC000238732702 HE Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCC(=O)C(C)=C3C2)OC[C@@H](O)[C@@H]1O ZINC000238732825 HE Annotated Mild C=CC[C@]12CC(=O)[C@@H](OC(C)=O)[C@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238732925 HE Annotated Mild CC(=O)O[C@H]1/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C(\C)C1)OC(=O)[C@]2(O)CCl ZINC000238732957 HE Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)C2=CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238733664 HE Annotated Anodyne C/C=C1/CN[C@H]2C[C@H]1[C@@](COC(C)=O)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238733898 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@@]2(O)CC[C@@](C)(/C=C3\OC(=O)C(COC(C)=O)=C31)O2 ZINC000238733911 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238733916 HE Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1c(O)c(C[C@H](C)O)c(O)c(O)c12 ZINC000238734143 HE Annotated Mild COc1ccc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@@H]45)[C@H]3C2)cc1O ZINC000238734652 HE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@@H](OC(C)=O)O2 ZINC000238734888 HE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238734977 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2O[C@]23C[C@]2(OCC)OC(=O)C(C)=C2[C@@H](O)[C@]3(C)[C@H]1C ZINC000238735124 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@H]2[C@@]2(C)C[C@@H](O)[C@@]12O ZINC000238735768 HE Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CC[C@H](OC(C)=O)[C@@H]1C ZINC000238735823 HE Annotated Reactive COc1cc(C(=O)O[C@H]2CCN3C[C@@H]4C[C@@H](CN5C(=O)CCC[C@@H]45)[C@H]3C2)ccc1O ZINC000238735901 HE Annotated Anodyne CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@]2(C)O[C@H]2C)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12 ZINC000238736014 HE Annotated Anodyne CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12 ZINC000238736224 HE Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](OC(C)=O)[C@]1(C)CC[C@@H](O1)[C@@](C)(O)CC[C@@H]2O ZINC000238736806 HE Annotated Mild C=C(C)C(=O)O[C@H]1C/C(C)=C/[C@@H](OC(C)=O)C[C@](C)(O)/C=C2\OC(=O)C(COC)=C21 ZINC000238736850 HE Annotated Mild COc1cc2c(c(OC)c1O)C[C@H]1C(=O)c3cc(OC)c(O)c(OC)c3[C@@H]2[C@H]1CO ZINC000238737687 HE Annotated Anodyne C=CCC1=C[C@@]2(OC)[C@@H](C)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@](OC)([C@H]2O)[C@@H]1O ZINC000238737861 HE Annotated Mild C=C(C/C=C/[C@@](O)(C(=O)O)[C@H](O)[C@@H](C)CC)CCC(=O)C1=C(O)C[C@@H](C)OC1=O ZINC000238738505 HE Annotated Mild COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)ccc54)[C@H]3C[C@H]12 ZINC000238739151 HE Annotated Bother C=C1C[C@H](OC(C)=O)[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H]2O[C@@]2(C)[C@@H](OC(C)=O)CC1=O ZINC000238739253 HE Annotated Mild COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@@]31CO[C@@](O)(C(C)C)[C@@H](O)C1 ZINC000238739319 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238739694 HE Annotated Anodyne CC[C@]1(O)CC[C@@]2(CO1)[C@@H]1CC(=O)C3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238739788 HE Annotated Mild C=C(C)[C@H]1C[C@]2(O)C(=C(C)[C@@H](O)C3=C2OC[C@H](c2ccc(O)cc2OC)C3=O)O1 ZINC000238740320 HE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238740752 HE Annotated Anodyne CC[C@@]1(/C=C(/O)C(=O)OC)CCCN2CC[C@]3(C(=O)Nc4cc(OC)c(O)cc43)[C@@H]21 ZINC000238741676 HE Annotated Anodyne CC[C@@]1(O)CC[C@@]2(CO1)[C@@H]1CC(=O)C3=C4[C@H](CC3)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238741687 HE Annotated Mild CC[C@@]1(/C=C(\O)C(=O)OC)CCCN2CC[C@]3(C(=O)Nc4cc(OC)c(O)cc43)[C@@H]21 ZINC000238741688 HE Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1C(C)=C(C)C(=O)C[C@]21C ZINC000238741863 HE Annotated Mild COC(=O)[C@@H]1C[C@]23C(=O)[C@@H]4C[C@@H]5[C@@]2(CO)[C@H](CCC2=C3[C@@H]1CC2)C[N+]5([O-])C[C@H]4C ZINC000238742310 HE Annotated Bother CC1=C[C@@H](C[C@@](C)(O)[C@H](O)COc2c3ccoc3cc3oc(=O)ccc23)OC1=O ZINC000238742377 HE Annotated Anodyne CC[C@]12CCCN3CC[C@]4(C(=Nc5cc(OC)c(O)cc54)[C@@](O)(C(=O)OC)C1)[C@@H]32 ZINC000238743224 HE Annotated Anodyne C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(C)=O ZINC000238744254 HE Annotated Reactive CC(=O)OCC1=C2/C(=C/[C@](C)(O)CCC(=O)[C@@H](C)C[C@H]2OC(=O)C=C(C)C)OC1=O ZINC000238744566 HE Annotated Anodyne C=CCC1=C[C@]2(OC)[C@H](O)[C@](OC)(C1=O)[C@@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238744757 HE Annotated Mild C=C[C@H](O)[C@@H](C)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O ZINC000238744763 HE Annotated Mild CC(=O)O[C@H]1[C@H](OC(C)(C)[C@@H]2CC[C@@]3(C)CCCC(CO)=C3C2)OC[C@@H](O)[C@@H]1O ZINC000238745075 HE Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)OC)C[C@H]2O[C@H]2[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000238745124 HE Annotated Mild C=C1c2ccoc2C[C@H]2[C@H]3[C@@H](OC(C)=O)CCC(C)(C)[C@]3(O)[C@@H](O)[C@H](OC(C)=O)[C@@H]12 ZINC000238745832 HE Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3C[C@@](C)(CO)C[C@H]3C=C(CO)[C@]12O ZINC000238746132 HE Annotated Anodyne O=c1c2cc(Br)c(Cl)cc2ncn1C[C@@]1(O)C[C@H]2NCCC[C@H]2O1 ZINC000238746580 HE Annotated Anodyne CC(=O)OCC1=C2[C@H](OC(=O)C=C(C)C)C[C@H](C)C(=O)CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238747311 HE Annotated Anodyne CC[C@@]1(O)CC[C@@]2(CO1)[C@@H]1CCC3=C4[C@H](C[C@@H]3O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238747608 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)O[C@H]2CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238747654 HE Annotated Anodyne C=CC[C@@]12C[C@H](OC)[C@@H](O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238747888 HE Annotated Mild CC(=O)O[C@@]1(C)[C@H]2C=C(C(C)(C)O)C(=O)C[C@@]2(C)CC[C@H]1OC(=O)[C@@]1(C)O[C@@H]1C ZINC000238749017 HE Annotated Mild COC(=O)[C@H]1[C@H](/C(=C\C=C\C(C)(C)O)COC(C)=O)CC[C@]2(C)C[C@@]1(O)CC[C@@H]2O ZINC000238749285 HE Annotated Anodyne CC[C@H]1[C@@H]2CN(/C(=C/C(=O)O)[C@@H]3C[C@H](C)C(=O)O3)CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000238749335 HE Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238749682 HE Annotated Mild CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@]2(C)O[C@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12 ZINC000238749730 HE Annotated Mild CC(=O)O[C@@H]1CC(C)(C)[C@H]2C(=O)C(=O)c3c(O)c([C@H](C)CO)c(O)c(O)c3[C@@]2(C)C1 ZINC000238749964 HE Annotated Clean C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3[C@H](O)C[C@@]21C ZINC000238750236 HE Annotated Reactive C=C1C(=O)[C@@]23C[C@H]1C[C@H]1OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)[C@@]2(O)OC[C@@]45[C@H]13 ZINC000238750972 HE Annotated Mild C=CC[C@]12C=C(OC)[C@H](O)[C@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238751324 HE Annotated Mild COc1cc(C)c2c(c1C=O)Oc1c(c(CO)c(O)c3c1[C@H](OC)OC3=O)OC2=O ZINC000238751474 HE Annotated Anodyne COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CC=C[C@@]([C@H](C)OC(C)=O)(C1)[C@H]23 ZINC000238751883 HE Annotated Anodyne CCC(=O)CCc1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)ccc(O)c1C2=O ZINC000238752080 HE Annotated Clean COC(=O)[C@H]1C[C@]23CN(C)C[C@H](C[C@H](O)C4=C2[C@H]1CC4)[C@]31CC[C@@](O)(C(C)C)OC1 ZINC000238752170 HE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]1C[C@H]1C(C)=CC[C@@H](OC(C)=O)[C@]1(C)[C@H]2OC(=O)/C(C)=C/CO ZINC000238753046 HE Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5CCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000238753047 HE Annotated Mild C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(O)CCl ZINC000238753337 HE Annotated Reactive CC(/C=C/C(O)=C1/C(=O)CNC1=O)=C\[C@@H](C)[C@H]1O[C@]2(C)O[C@@H](C=C[C@@]23CO3)[C@@H]1C ZINC000238754241 HE Annotated Mild CC(=O)O[C@H]1[C@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]1O ZINC000238754246 HE Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@H](O)C(=O)[C@H](O)CC(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@@H]1C ZINC000238754495 HE Annotated Anodyne CC(=O)O[C@@H](C)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238754524 HE Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC[C@]2(O)C[C@]3(O)OC(=O)C(C)=C3[C@@H](OCC)[C@]2(C)[C@H]1C ZINC000238755294 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@]23OC(=O)C(COC(C)=O)=C13 ZINC000238755440 HE Annotated Anodyne CCCCO[C@@]1(OC)C(Br)=C[C@@](O)(CC(N)=O)C=C1Br ZINC000238755927 HE Annotated Anodyne COC(=O)[C@]12C[C@@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1cc(OC)ccc51)C3=O)[C@@H]42 ZINC000238756221 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC(=O)C2=C[C@H](O)[C@H]2c4occc4C(=O)C[C@@](C)([C@@H]1C)[C@@H]23 ZINC000238756279 HE Annotated Anodyne CC(=O)OCC1=C2[C@H](OC(=O)C=C(C)C)C[C@@]3(C)O[C@H]3CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238756516 HE Annotated Anodyne CCO[C@@]1(C2=CC(=O)O[C@H]2O)C[C@]2(C)[C@@H](C)C[C@H]3OC(=O)C4=CCC[C@]2(O1)[C@]43C ZINC000238756572 HE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@](C)(O)/C=C2\OC(=O)C(COC(C)=O)=C21 ZINC000238756671 HE Annotated Anodyne C=C1CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O ZINC000238756946 HE Annotated Mild CC(=O)OC[C@H]1CC[C@H]2[C@H](C)C(=O)O[C@H]2[C@]2(COC(C)=O)[C@@H](OC(C)=O)CC[C@@H]12 ZINC000238757057 HE Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](C[C@H]12)C(=C)[C@H](OC(=O)CC(C)C)[C@H](O)[C@@H]3OC(C)=O ZINC000238757133 HE Annotated Mild CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(O/C=C/[C@H](C)CO)cc2)(SC)C(=O)N1C ZINC000238757769 HE Annotated Anodyne CC(=O)OCc1c(O)c(C(=O)O)c(C)c2c1OC(=O)c1c(C)cc(O)c(CO)c1O2 ZINC000238758257 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(CO2)[C@]2(CC[C@]3(C=COC3)O2)[C@]23CCC[C@](C)(C(=O)OC2)[C@@H]13 ZINC000238758401 HE Annotated Anodyne C=C(C/C=C\[C@@](O)(C(=O)O)[C@@H](O)[C@@H](C)CC)CCC(=O)C1=C(O)C[C@@H](C)OC1=O ZINC000238759641 HE Annotated Mild C=C(C/C=C/[C@@](O)(C(=O)O)[C@@H](O)[C@@H](C)CC)CCC(=O)C1=C(O)C[C@@H](C)OC1=O ZINC000238759651 HE Annotated Mild COc1cc([C@@H](O)[C@H]2CO2)cc(OC)c1-c1c(OC)cc([C@@H](O)[C@H]2CO2)cc1OC ZINC000238759913 HE Annotated Anodyne C=CC[C@]12C[C@H](OC)[C@H](O)[C@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238760857 HE Annotated Mild CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)C=C(C)C)OC1=O ZINC000238760976 HE Annotated Anodyne CC(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@H](OC(=O)C=C(C)C)[C@H]21 ZINC000238761185 HE Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C/C(C)=C/[C@@H](OC(C)=O)C/C(C)=C/[C@H]2OC1=O ZINC000238761710 HE Annotated Anodyne CC(=O)OCC1=C2/C(=C\[C@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]2OC(=O)C=C(C)C)OC1=O ZINC000238761752 HE Annotated Mild CC/C=C/C1=C(C[C@H](/C=C(\C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O ZINC000238761939 HE Annotated Reactive COc1cc(C[C@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1O ZINC000238762407 HE Annotated Anodyne CC[C@H]1[C@@H]2CN(/C(=C\C(=O)O)[C@@H]3C[C@H](C)C(=O)O3)CCC[C@H]2O[C@]12C=C(C)C(=O)O2 ZINC000238762819 HE Annotated Anodyne C=CCC1=C[C@]2(OC)[C@@H](C)[C@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@H]2O ZINC000238762931 HE Annotated Mild CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@]2(C)O[C@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21 ZINC000238763424 HE Annotated Mild CC1=C[C@H]2/C=C(\C)CC[C@H](O)[C@H](O)[C@@H]3O[C@@H]3C(=O)[C@@]23C(=O)N[C@H](CC(C)C)[C@H]3[C@H]1C ZINC000238763497 HE Annotated Anodyne CC(=O)OC[C@@]12C(=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]21CO1 ZINC000238763523 HE Annotated Anodyne CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@]2(C)O[C@@H]2C)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12 ZINC000238763566 HE Annotated Mild CCCC[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1[C@H](O)CN42 ZINC000238763770 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238764383 HE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC[C@@H]3[C@](C)(CO)[C@@H](OC(=O)/C(=C/C)COC(C)=O)[C@H]12 ZINC000238764702 HE Annotated Mild CC[C@@H](O)[C@H]1CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 ZINC000238764814 HE Annotated Bother C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C1=CCOC(C)(C)OC1)C[C@@]1(CO1)[C@@H]1CC=C(C)[C@H]21 ZINC000238764844 HE Annotated Mild C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2 ZINC000238765063 HE Annotated Reactive Cc1c(C(=O)O)nc(C2=N[C@H]3C(=O)C(N)=CC(=O)[C@H]3C=C2)c2[nH]c3ccccc3c12 ZINC000238765477 HE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238765566 HE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238765586 HE Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@H](OC(=O)/C(=C/C)COC(C)=O)C(=C)[C@@H]1CC=C(C)[C@@H]12 ZINC000238765644 HE Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@@H](C)C(=O)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@]43C ZINC000238765966 HE Annotated Mild CC(=O)OCC1=C2[C@@H](OC(=O)CC(C)C)C/C(C=O)=C\CC[C@@]3(C)O[C@@H]3[C@@H]2OC1=O ZINC000238767026 HE Annotated Reactive O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]13C=C(Br)[C@H](O)C=C1S[C@@H](C3)N2 ZINC000238767410 HE Annotated Mild CC(C)[C@@H]1C[C@@H](O)[C@]2(C)[C@@H](O)CC[C@@](O)(COC(=O)/C=C/c3ccccc3)[C@H]2[C@@H]1O ZINC000238767461 HE Annotated Anodyne C=CCC1=C[C@]2(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]2C)[C@@H]1O ZINC000238767933 HE Annotated Mild Oc1cc(O)c(C[C@@H](O)[C@H](c2ccc(O)c(O)c2)c2c(O)cc(O)cc2O)c(O)c1 ZINC000238768378 HE Annotated Clean COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)/C4=C\N(C)CC[C@]21C(=O)C[C@@H]43 ZINC000238768538 HE Annotated Anodyne COc1ccc2c(c1O)N(C(C)=O)[C@H]1[C@@H]3CO[C@H](C)/C4=C/N(C)CC[C@]21C(=O)C[C@@H]43 ZINC000238768549 HE Annotated Anodyne Cc1ccc(C(=O)O[C@@]23OC[C@@]4(C)[C@]2(C)C(=O)C[C@@]2([C@@H](C)CC[C@]24O)[C@@H]3O)cc1 ZINC000238769335 HE Annotated Anodyne CC(=O)OC/C(C)=C\CCC1=C[C@@H](C[C@@](C)(O)[C@H](O)CC/C(C)=C\CO)OC1=O ZINC000238769827 HE Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1OC(C)=O ZINC000238770807 HE Annotated Anodyne CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)[C@@H]1CC[C@@](C)(O)[C@@H](O)[C@@H]21 ZINC000238770824 HE Annotated Anodyne CCO[C@H]1C2=C(C(=O)[C@]3(C)C(=O)C[C@](C)(O)[C@H]23)[C@@]23CCCC(C)(C)[C@@H]2[C@@H]1OC3=O ZINC000238770968 HE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238771692 HE Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@H](O)[C@@H](OC(C)=O)[C@H]1C(C)=C(C)C(=O)C[C@]21C ZINC000238771824 HE Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000238772215 HE Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CC[C@H]2OC(C)=O ZINC000238772562 HE Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C(=O)[C@@H](C)[C@]23CC[C@@]2(COC(=O)C2)O3)C1(C)C ZINC000238773213 HE Annotated Anodyne C=C1C(=O)[C@@]23C[C@H]1C[C@@H]1OC(C)(C)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)[C@@]2(O)OC[C@@]45[C@H]13 ZINC000238773384 HE Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000238773411 HE Annotated Anodyne C=C1C[C@H](OC(=O)/C(C)=C/C)C2=C(COC(C)=O)C(=O)O[C@@H]2[C@@H]2[C@@H]1CC[C@@]2(C)O ZINC000238774079 HE Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1CC=C(C)[C@@H]12 ZINC000238774238 HE Annotated Mild CC(=O)O[C@@H]1O[C@@H]2O[C@@H]3OC(=O)/C(=C\[C@@H]4CCCC(C)(C)C4)[C@@H]3[C@@H]2[C@H]1OC(C)=O ZINC000238774362 HE Annotated Anodyne COc1c([C@H]2OC[C@]3(O)[C@@H](Oc4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 ZINC000238774550 HE Annotated Anodyne CO[C@@]12C[C@H]3[C@H]([C@@H](C)C1=CC(=O)O2)[C@@H](OC(C)=O)[C@@H](O)[C@@]1(O)C(C)(C)CCC[C@]31C ZINC000238774797 HE Annotated Anodyne CC(=O)O[C@H]1C[C@@]23COC(=O)C2=C[C@H](O)[C@H]2c4occc4C(=O)C[C@@](C)([C@@H]1C)[C@@H]23 ZINC000238775016 HE Annotated Anodyne C/C=C1\CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@@H]2C[C@@H]1[C@@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000238775254 HE Annotated Anodyne C=C1[C@H]2C[C@@H](OC(C)=O)[C@H](COC(=O)CC(C)C)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1O ZINC000238775331 HE Annotated Mild C/C=C/CCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](OC)[C@]2(C)O[C@H]1O ZINC000238775420 HE Annotated Mild CC[C@@H](O)[C@H]1CC[C@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 ZINC000238775457 HE Annotated Anodyne C=CCC1=C[C@]2(OC)[C@H](O)[C@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000238776035 HE Annotated Mild COc1cc(C)c2c(c1CO)Oc1c(c(C)c(OC)c3c1[C@H](O)OC3=O)OC2=O ZINC000238776768 HE Annotated Anodyne COc1cc([C@H](O)[C@H]2CO2)cc(OC)c1-c1c(OC)cc([C@@H](O)[C@H]2CO2)cc1OC ZINC000238776781 HE Annotated Anodyne CO[C@@H]1c2c(cc3c(c2C)CC(=O)O3)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]2(O)[C@H]1OC(C)=O ZINC000238777399 HE Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3C(=O)N/C(=C\c4c[nH]cn4)C(=O)N3[C@@H]1N(OC)c1ccccc12 ZINC000238777468 HE Annotated Mild COC(=O)[C@@H]1[C@@H]2N3CCC[C@@]24CC[C@@]12N(C(=O)OC)c1ccccc1[C@]2(CC3)C4=O ZINC000238777701 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H]2[C@H](C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@]2(C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238777723 HE Annotated Anodyne O=C(OC[C@]1(O)[C@H](Cl)C=C[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000238777971 HE Annotated Reactive C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C=C/c1ccccc1)C[C@H](C)[C@@H]1C(=O)C=C(CO)[C@@H]12 ZINC000238778242 HE Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21 ZINC000238778612 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238778624 HE Annotated Anodyne C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@@H](OC(C)=O)C1 ZINC000238778684 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H]12)C(=O)C[C@@H]3C=O ZINC000238779146 HE Annotated Mild C=C[C@]1(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(C)=O)[C@H]1C(=C)C=O ZINC000238779234 HE Annotated Reactive CC(=O)O[C@H]1[C@@H](C)[C@]2(C)CC(=O)c3ccoc3[C@@H]3CC=C4C(=O)OC[C@@]4([C@@H]1O)[C@H]32 ZINC000238779300 HE Annotated Anodyne COc1cc2c(c(O)c1OC)N(C(C)=O)[C@H]1CC[C@@]3(CCO)CCCN4CC[C@]21[C@H]43 ZINC000238779571 HE Annotated Anodyne CCCC[C@]12[C@H]3C[C@@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1[C@@H](O)CN42 ZINC000238779584 HE Annotated Anodyne CCCC[C@]12[C@@H]3CCN1[C@@H]1C[C@H]2O[C@]32O/C(=C3/OC(=O)C(CO)=C3OC)[C@H](C)[C@@H]12 ZINC000238779597 HE Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@@](O)(C(C)C)[C@@H](C)OC)[C@]12C ZINC000238779650 HE Annotated Anodyne COc1c(OC)c2oc(=O)c3c(OC)c(O)c(OC)c4oc(=O)c(c1OC)c2c43 ZINC000238780062 HE Annotated Bother CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@H](O)[C@@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238780117 HE Annotated Anodyne CC(=O)O[C@H]1[C@@H](C(C)C)[C@H](OC(C)=O)C[C@@]2(C)O[C@@H]2C[C@@H](OC(C)=O)[C@@]2(C)O[C@H]12 ZINC000238780149 HE Annotated Anodyne C=C[C@](C)(CC/C=C(\C)C[C@@H](O)C=C(C)C)O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1OC(C)=O ZINC000238780249 HE Annotated Mild C=C1C[C@H](OC(=O)/C(C)=C/C)C2=C(COC(C)=O)C(=O)O[C@@H]2[C@H]2O[C@]2(C)CCC1=O ZINC000238780265 HE Annotated Mild C[C@H](Cl)[C@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238780521 HE Annotated Reactive CC[C@H]1[C@@H]2CCCCN(C2=O)[C@@H]([C@H]2C[C@@H](C)C(=O)O2)CC(=O)[C@@H]2[C@H](C)C(=O)O[C@H]12 ZINC000238780560 HE Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@]3(C)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@@H]3O ZINC000238780960 HE Annotated Mild CC[C@@H]1C[C@@H](O)c2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000238781072 HE Annotated Clean CC(=O)O[C@@H](C[C@]12C(=O)OC[C@@]34[C@@H]1CCC[C@]3(O)CO[C@]4(O)C[C@H]2C)c1ccoc1 ZINC000238781094 HE Annotated Anodyne COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@H]1CC(C)=O)C(=O)c1c(O)cccc1C3=O ZINC000238781146 HE Annotated Clean CC(=O)O[C@@H]1C[C@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(C[C@@H](O)C2=CC(=O)OC2)[C@@H]1C ZINC000238781346 HE Annotated Anodyne CO[C@H]1CC(=O)[C@@]23C(=O)N[C@@H](C)[C@@H]2C(C)=C(C)[C@@H](O)[C@@H]3/C=C/C[C@H](C)[C@H]2O[C@@]12C ZINC000238781637 HE Annotated Anodyne CC1=C[C@@H]2C3=C(C)CC[C@H](O)[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238781683 HE Annotated Anodyne CC[C@H](O)C[C@@H]1CC[C@H](O)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000238781942 HE Annotated Anodyne C=CC[C@@]12CC(=O)[C@H](OC)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@H]1C)[C@H]2O ZINC000238781996 HE Annotated Mild CC[C@]1(C=O)CC(C(=O)OC)=C2Nc3cc(OC)c(O)cc3[C@@]23CCN(C(C)=O)[C@@H]13 ZINC000238782506 HE Annotated Mild COC1=CC(=O)C2=C(C1=O)[C@@H](c1cc(OC)c(OC)cc1OC)[C@H](C(C)C)[C@@H]2O ZINC000238782924 HE Annotated Mild CCOC[C@@]1(O)C(=O)C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21 ZINC000238783220 HE Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](C[C@H]12)C(=C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H]3OC(C)=O ZINC000238783374 HE Annotated Mild CC(=O)O[C@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)CC[C@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 ZINC000238783785 HE Annotated Mild COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@H]3[C@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238783879 HE Annotated Anodyne CC(=O)O[C@@H](C)[C@@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(=C(C)C)C[C@H]2[C@]1(C)O ZINC000238784907 HE Annotated Mild C=CC[C@@]12C=C(OC)C(=O)[C@@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2OC(C)=O ZINC000238785342 HE Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@@H]2C[C@@H]1[C@@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000238785465 HE Annotated Anodyne CC1=C[C@@H]2/C=C(/C)CC[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238785649 HE Annotated Anodyne CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C ZINC000238785650 HE Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000238785713 HE Annotated Anodyne CCCC[C@]12[C@H]3C[C@@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1[C@H](O)CN42 ZINC000238785779 HE Annotated Anodyne CC1=C[C@H]2/C=C(/C)CC[C@H](O)C(=O)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@H]1C ZINC000238785992 HE Annotated Anodyne CC1=C[C@H]2/C=C(\C)CC[C@H](O)C(=O)[C@H](O)CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@H]1C ZINC000238785994 HE Annotated Anodyne C=CCC1=C[C@]2(OC)[C@H](C)[C@@H](c3cc(OC)c4c(c3)OCO4)[C@](OC)(C1=O)[C@@H]2O ZINC000238786421 HE Annotated Mild COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@@]2(O)COC(C)=O)ccc1O ZINC000238786459 HE Annotated Anodyne COC(=O)CCC(=O)NCc1cc(O)c(O)c(Br)c1Br ZINC000238786475 HE Annotated Clean CC[C@@]1(O)CC[C@]2(CO1)[C@@H]1CCC3=C4[C@H](CC3=O)[C@H](C(=O)OC)C[C@@]42CN(C)C1 ZINC000238786705 HE Annotated Mild CC(=O)O[C@]1(C)[C@H](OC(=O)[C@](C)(O)[C@H](C)O)CC[C@]2(C)CC(=O)C(=C(C)C)C[C@@H]12 ZINC000238787146 HE Annotated Mild COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)OC(C)=O)(C1)[C@H]23 ZINC000238787275 HE Annotated Anodyne CCCC[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(CO)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000238787621 HE Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]2O[C@@H]3OC(=O)/C(=C/[C@@H]4CCCC(C)(C)C4)[C@@H]3[C@@H]2[C@H]1OC(C)=O ZINC000238787675 HE Annotated Anodyne CC1=CC(=O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C\C(O)=C1\C(=O)CNC1=O)[C@H]2C ZINC000238787846 HE Annotated Mild CC1=CC(=O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)\C=C/C(O)=C1/C(=O)CNC1=O)[C@H]2C ZINC000238787847 HE Annotated Mild CC1=CC(=O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)\C=C\C(O)=C1\C(=O)CNC1=O)[C@H]2C ZINC000238787849 HE Annotated Mild C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@H]1C(=O)N[C@]2(O)CCO[C@@H]12)C(=O)OC ZINC000238787974 HE Annotated Mild C/C=C/CCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](OC)[C@]2(C)O[C@H]1O ZINC000238788030 HE Annotated Mild COc1c([C@H]2OC[C@]3(O)[C@@H](c4ccc5c(c4)OCO5)OC[C@H]23)ccc2c1OCO2 ZINC000238788037 HE Annotated Anodyne C=C(C)[C@H]1C/C=C(\C(=O)OC)CC(=O)C[C@@](C)(O)[C@@H](O)c2cc(C(=O)OC)c(o2)C1 ZINC000238788326 HE Annotated Mild COC(=O)/C(=C1\OC(=O)C(c2ccc(O)c(OC)c2)=C1O)c1ccc(O)c(O)c1 ZINC000238788784 HE Annotated Clean CC/C=C\C1=C(C[C@H](/C=C(\C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O ZINC000238789462 HE Annotated Reactive C[C@H]1CC[C@]2(O)[C@]13CC(=O)[C@]1(C)[C@@](OC(=O)/C=C/c4ccccc4)(OC[C@@]12C)[C@H]3O ZINC000238789622 HE Annotated Anodyne CCCCCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)C(=O)C[C@H](OC)[C@@H]1O[C@@H]12 ZINC000238789638 HE Annotated Mild Cc1nc(N2CCC[C@@H](N[C@H]3CCOC3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000248028443 HE Annotated Anodyne Cc1nc(N2CCC[C@H](N[C@H]3CCOC3)CC2)nc2cc(S(C)(=O)=O)ccc12 ZINC000248028449 HE Annotated Anodyne CC(=O)N[C@H]1CCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 ZINC000002500214 HE Annotated Anodyne CC(=O)N[C@@H]1CCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 ZINC000002500216 HE Annotated Anodyne COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2OC)Nc2nnnn21 ZINC000002504057 HE Annotated Mild COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2OC)Nc2nnnn21 ZINC000002504058 HE Annotated Mild COC(=O)c1ccc(/C=N/OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000002647031 HE Annotated Mild O=C(NCc1ccccc1)c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000002687447 HE Annotated Mild O=C(NCc1ccccc1)c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000002687448 HE Annotated Mild COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccnc1 ZINC000002840310 HE Annotated Anodyne COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccnc1 ZINC000002840311 HE Annotated Anodyne O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCC2(CC1)OCCO2 ZINC000002921637 HE Annotated Anodyne Cc1c(C(=O)N2CCCC[C@H]2C)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000002922668 HE Annotated Anodyne Cc1c(C(=O)N2CCCC[C@@H]2C)sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000002922670 HE Annotated Anodyne Cc1cc(Br)ccc1NC(=O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000002922883 HE Annotated Anodyne Cc1cc(NC(=O)C/N=C(\O)Cn2cnc3sc4c(c3c2=O)CCCC4)no1 ZINC000002924729 HE Annotated Mild O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1ccco1 ZINC000002927800 HE Annotated Anodyne O=C(Cc1ccccc1Br)N1CC(=O)N(CCc2ccccc2)C(=O)C1 ZINC000002927885 HE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)C3(C(=O)OC)CC3)c21 ZINC000002928190 HE Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1ccc(Br)o1 ZINC000002931075 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)C[C@H]2C)c1 ZINC000002940332 HE Annotated Anodyne COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O ZINC000002941646 HE Annotated Anodyne COc1cccc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1 ZINC000002941784 HE Annotated Anodyne CCOc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC ZINC000002952434 HE Annotated Anodyne O=C(c1ccc2nc3ccsc3c(=O)n2c1)N1CCN(C(=O)c2ccco2)CC1 ZINC000002965738 HE Annotated Anodyne O=C(NCCCN1CCCCC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250093815 HE Annotated Anodyne O=C(NCCCN1CCCCC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250093826 HE Annotated Anodyne COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)c(OC)c1 ZINC000250394495 HE Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250408797 HE Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000250408804 HE Annotated Anodyne CCOCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250495128 HE Annotated Anodyne CCOCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250495130 HE Annotated Anodyne COC(=O)Cc1c(C)nc2nc(NCc3ccc(Br)cc3)nn2c1O ZINC000253496713 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000253634010 HE Annotated Anodyne CN(C)CCSc1ccc(C=c2nc(O)c(=Cc3ccc(C#N)cc3)nc2O)s1 ZINC000253636542 HE Annotated Mild O=C(O)c1cn(-c2ccc(F)cc2F)c2nc(N3C[C@H]4C[C@H]3CN4)c(F)cc2c1=O ZINC000253637584 HE Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@@]21CO1 ZINC000253638753 HE Annotated Mild COc1cc(OC)c(C=c2nc(O)c(=Cc3c[nH]c4ccccc34)nc2O)c(OC)c1 ZINC000253639366 HE Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3[C@H](C(=O)NCCS)CC[C@H]3O)ccc2c1 ZINC000253639794 HE Annotated Mild CCOC(=O)[C@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@@H](N)[C@H]1C(=O)OCC ZINC000253643243 HE Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000253643391 HE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000253643392 HE Annotated Anodyne CCc1cc(Br)ccc1S(=O)(=O)NC[C@H](O)CN1C[C@H](C)C[C@H]1C ZINC000253659859 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C=O)[C@]13O[C@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000253667001 HE Annotated Mild O=C1N[C@H](Cc2ccccc2)C2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000253669695 HE Annotated Anodyne O=C1N[C@H](Cc2ccccc2)C2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)O1 ZINC000253669697 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@@H]4C[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1 ZINC000253685692 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@@H]4C[C@H](CO)[C@H](O)[C@H]4O)c3n2)cc1 ZINC000253685698 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000253688599 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000253688602 HE Annotated Anodyne CCO[C@@H]1CC[C@@H]2CCCC[C@H]2[C@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000253694670 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@H]3[C@@H]3CCCN32)cc1 ZINC000253723779 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@H](C)O ZINC000253776928 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@H](C)O ZINC000253776931 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/CO ZINC000253778501 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41/C=C/C=C/CO ZINC000253778511 HE Annotated Anodyne CC[C@@H](O)C[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000253783136 HE Annotated Anodyne CC[C@@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253783141 HE Annotated Anodyne CC[C@@H](O)C[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000253783147 HE Annotated Anodyne CC[C@@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253783152 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000253837499 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253837507 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000253837512 HE Annotated Anodyne CCC[C@H](O)[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253837515 HE Annotated Anodyne O=C(O)c1cn(-c2ccc(O)cc2)c2nc(N3C[C@H]4CCCN[C@H]4C3)c(F)cc2c1=O ZINC000253837978 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@@H](NC(=O)[C@H](N)CC(=O)O)c1cccs1 ZINC000253859973 HE Annotated Anodyne Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(Cl)c2)c1-c1ccccc1 ZINC000253869811 HE Annotated Reactive NC(=O)Cn1c(O)c(N=NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000253915592 HE Annotated Clean CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@H]1c1cccc(OC)c1 ZINC000253915760 HE Annotated Anodyne COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000253930797 HE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(Br)cc2)S(=O)(=O)N(C)[C@H]1C ZINC000253978750 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000253992327 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253992328 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000253992329 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000253992330 HE Annotated Anodyne CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N@+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 ZINC000253995129 HE Annotated Bother CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N@@+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 ZINC000253995135 HE Annotated Bother O=C(ONC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NOC(=O)c1ccccc1)c1ccccc1 ZINC000254005561 HE Annotated Mild CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N(C)[C@H]1C ZINC000254010551 HE Annotated Anodyne CN([C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cn(C)cn1 ZINC000254019000 HE Annotated Anodyne COC/C=C1\C[N@@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 ZINC000254042393 HE Annotated Bother COC/C=C1\C[N@+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 ZINC000254042398 HE Annotated Bother CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C ZINC000254057998 HE Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]21C ZINC000254058001 HE Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]21C ZINC000254058004 HE Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C ZINC000254058007 HE Annotated Mild CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 ZINC000254076577 HE Annotated Bother CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@H]23)O1 ZINC000254076582 HE Annotated Bother CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]3OC(C)(C)O[C@H]23)O1 ZINC000254076585 HE Annotated Bother CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000254076588 HE Annotated Bother CC(C)N(C(=O)[C@@]12[C@@H]3[C@H]4[C@]1(I)[C@H]1[C@@]2(C#N)[C@H]3[C@@]41C#N)C(C)C ZINC000254113615 HE Annotated Mild CC(C)N(C(=O)[C@]12[C@H]3[C@H]4[C@]1(C#N)[C@H]1[C@]4(C#N)[C@@H]3[C@@]12I)C(C)C ZINC000254113618 HE Annotated Mild CC(C)N(C(=O)[C@]12[C@H]3[C@H]4[C@]1(C#N)[C@@H]1[C@]4(C#N)[C@@H]3[C@@]12I)C(C)C ZINC000254113623 HE Annotated Mild CC(C)N(C(=O)[C@@]12[C@@H]3[C@H]4[C@]1(I)[C@@H]1[C@@]2(C#N)[C@H]3[C@]14C#N)C(C)C ZINC000254113627 HE Annotated Mild COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2CN1C ZINC000254120005 HE Annotated Anodyne C=C1O[C@@H]2O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@@H]2O1 ZINC000254133269 HE Annotated Anodyne C=C1O[C@@H]2O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]2O1 ZINC000254133272 HE Annotated Anodyne C=C1O[C@@H]2O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@H]2O1 ZINC000254133273 HE Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1 ZINC000254136528 HE Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1 ZINC000254136529 HE Annotated Anodyne O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)[C@H]1CCCO1 ZINC000254296400 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)[C@@H]1CCCO1 ZINC000254296403 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl)[C@@H]1CCCO1 ZINC000254296406 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl)[C@H]1CCCO1 ZINC000254296409 HE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254351509 HE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254351513 HE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000254351519 HE Annotated Mild COc1ccc(CCN2C(=NC(=O)CC(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000254351525 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000254384040 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000254384041 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000254384043 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000254384044 HE Annotated Mild COc1cccc(OC)c1C(=O)N=c1sc2cc(S(C)(=O)=O)ccc2n1C ZINC000254385550 HE Annotated Anodyne COc1ccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000254398843 HE Annotated Mild C=CCN1C(=NC(=O)COc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254415016 HE Annotated Mild C=CCN1C(=NC(=O)COc2ccc(Cl)cc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254415021 HE Annotated Mild C=CCN1C(=NC(=O)COc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254415025 HE Annotated Mild C=CCN1C(=NC(=O)COc2ccc(Cl)cc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254415028 HE Annotated Mild Cc1ccc(C=c2sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)o1 ZINC000254506197 HE Annotated Anodyne aggregator Cc1ccc(C=c2sc3n(c2=O)CN(c2cccc(Br)c2)CN=3)o1 ZINC000254521535 HE Annotated Anodyne aggregator O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254572104 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254572106 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254572108 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254572109 HE Annotated Mild C#CCn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 ZINC000254607307 HE Annotated Mild aggregator O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000254617020 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000254617023 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000254617024 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1)[C@H]1CCCO1 ZINC000254617026 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000254620279 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000254620280 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1)[C@@H]1CCCO1 ZINC000254620281 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1)[C@H]1CCCO1 ZINC000254620282 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000254733959 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000254733960 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000254733961 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000254733962 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000254739212 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000254739214 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000254739216 HE Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000254739258 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254759114 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254759116 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 ZINC000254759117 HE Annotated Mild O=C(COc1ccccc1)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 ZINC000254759119 HE Annotated Mild Cn1c(=NC(=O)c2ccc3c(c2)OCCO3)sc2cc(S(C)(=O)=O)ccc21 ZINC000254796756 HE Annotated Anodyne COC(=O)c1ccc2c(c1)sc(=NC(=O)CCS(=O)(=O)c1ccccc1)n2C ZINC000254824315 HE Annotated Anodyne COc1ccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000254835269 HE Annotated Mild COc1ccc(N2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000254835270 HE Annotated Mild COc1ccc(N2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000254835271 HE Annotated Mild Cc1cc(C)c(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000254840130 HE Annotated Mild Cc1cc(C)c(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000254840131 HE Annotated Mild Cc1cc(C)c(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000254840132 HE Annotated Mild Cc1cc(C)c(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 ZINC000254840133 HE Annotated Mild C=CCN1C(=O)[C@H](CC(=O)O)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254901759 HE Annotated Mild C=CCN1C(=O)[C@@H](CC(=O)O)SC1=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254901761 HE Annotated Mild Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000025970489 HE Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C(=O)C[C@@]4(C)[C@H](CC[C@]4(O)C(=O)CO)[C@@H]3CC[C@@H]2C1 ZINC000255200135 HE Annotated Anodyne C[C@]12C[C@@H](O)[C@@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 ZINC000255201158 HE Annotated Anodyne C=C1[C@H]2C[C@]3([C@H](C[C@@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1OC(C)=O ZINC000255205086 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@H]2O ZINC000255205087 HE Annotated Mild C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255205735 HE Annotated Anodyne C[C@]12C[C@@H](O)[C@@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255205737 HE Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255205739 HE Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@H]3C=CO[C@H]3O2)[C@H]2C[C@H]3C[C@]4(CO4)[C@@]12[C@@H](O)O3 ZINC000255207441 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C=CCC[C@]34C=O)[C@@]1(O)CC[C@@]2(O)c1ccc(=O)oc1 ZINC000255210600 HE Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4(O)C3=CC(=O)[C@@H]2C[C@H]1O ZINC000255212054 HE Annotated Mild CC(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C ZINC000255212125 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C=CCC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255212140 HE Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@H]3O[C@@]3(C)[C@@H](OC)CC(=O)[C@]23C(=O)N[C@@H](C)[C@@H]3[C@@H]1C ZINC000255220584 HE Annotated Mild C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000255226558 HE Annotated Bother CCN1C[C@@H]2CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O ZINC000255235207 HE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(C)=O ZINC000255242378 HE Annotated Mild C[C@]12CC[C@@H](O)C[C@H]1C[C@H](O)[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255249290 HE 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@H](O)[C@@H]12 ZINC000255251900 HE Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@]4([C@@H]3C[C@@H]2OC(C)=O)[C@@H]1[N@+]([O-])(CC)C5 ZINC000255267034 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2O ZINC000255271355 HE Annotated Mild C=C1[C@H]2C[C@]3([C@H](C[C@@H]2O)[C@@]24[C@@H](OC(C)=O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255271356 HE Annotated Mild CC(=O)OC[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)[C@@H](C(C)=O)CC[C@]12O ZINC000255272601 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3[C@H](O)[C@H]2c1ccc(=O)oc1 ZINC000255280166 HE Annotated Anodyne C[C@@]12[C@H]3CC[C@]4(C)[C@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@]1(O)C[C@@H](O)C[C@H]2O ZINC000255280567 HE Annotated Anodyne C[C@@]12[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@]1(O)C[C@@H](O)C[C@H]2O ZINC000255280568 HE Annotated Anodyne CO[C@@H]1[C@@H](OC(C)=O)[C@@H]2[C@]3(C)C(=O)[C@H](O)C[C@H](C)[C@@H]3C[C@@H]3OC(=O)C[C@H]([C@H]1C)[C@@]32C ZINC000255281806 HE Annotated Anodyne CO[C@@H]1[C@@H](OC(C)=O)[C@@H]2[C@@]3(C)C(=O)[C@H](O)C[C@H](C)[C@H]3C[C@H]3OC(=O)C[C@H]([C@H]1C)[C@@]23C ZINC000255281807 HE Annotated Anodyne C[C@]12C(=O)[C@@H](O)[C@@H]3[C@H]4CC[C@H](O)C[C@H]4CC[C@H]3[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000255285678 HE Annotated Anodyne C[C@]12CC[C@H]3[C@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255288057 HE Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255288058 HE Annotated Mild C[C@]12CC[C@H]3[C@H](CCC4=C[C@H](O)CC[C@@]43C=O)[C@@]1(O)C[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000255288059 HE Annotated Mild Cc1nc(N2CCC[C@H]2C(=O)N2C[C@H]3CC[C@H]2C3)nc2cc(S(C)(=O)=O)ccc12 ZINC000257371849 HE Annotated Anodyne Cc1nc(N2CCC[C@@H]2C(=O)N2C[C@H]3CC[C@H]2C3)nc2cc(S(C)(=O)=O)ccc12 ZINC000257371850 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@]12O ZINC000257373886 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(CO)[C@@]12O ZINC000257373887 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(CO)[C@]12O ZINC000257373888 HE Annotated Anodyne CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@@H](C)Cl)OC1=O ZINC000257423765 HE Annotated Reactive CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@](C)(O)[C@H](C)Cl)OC1=O ZINC000257423766 HE Annotated Reactive CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@](C)(O)[C@@H](C)Cl)OC1=O ZINC000257423767 HE Annotated Reactive CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@H](C)Cl)OC1=O ZINC000257423768 HE Annotated Reactive C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@H]1O ZINC000257497067 HE Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@@H]2[C@H]1O ZINC000257497068 HE Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@H]2[C@@H]1O ZINC000257497069 HE Annotated Mild C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](OC(C)=O)C(=O)[C@]2(C)O[C@@H]2[C@@H]1O ZINC000257497070 HE Annotated Mild Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@]2(C)C[C@@H](O)[C@@]12O ZINC000257500977 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@]2(C)C[C@H](O)[C@]12O ZINC000257500978 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@]2(C)C[C@H](O)[C@@]12O ZINC000257500979 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)OCC1=C[C@@H]2CC(C)(C)[C@H](O)[C@@H]2[C@]2(C)C[C@@H](O)[C@]12O ZINC000257500980 HE Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@@H]([C@@H](O)c1ccccc1)C2=O ZINC000257540902 HE Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@H]([C@@H](O)c1ccccc1)C2=O ZINC000257540903 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@]12O)CC(C)(C)[C@H]3O ZINC000257547166 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(CO)[C@@]12O)CC(C)(C)[C@H]3O ZINC000257547167 HE Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccccc4N(C)[C@@H]32)[C@H]1OC(C)=O ZINC000257551330 HE Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](OC(C)=O)[C@@]4(C[C@@H]21)c1ccccc1N(C)[C@@H]34 ZINC000257551333 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@H]3O ZINC000257568732 HE Annotated Reactive Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@H]3O ZINC000257568733 HE Annotated Reactive CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 ZINC000257616046 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 ZINC000257616047 HE Annotated Anodyne Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@H](O)[C@@H](CO)[C@@]23O)c(O)cc1O ZINC000257617768 HE Annotated Anodyne Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@H](O)[C@H](CO)[C@@]23O)c(O)cc1O ZINC000257617771 HE Annotated Anodyne Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@H](O)[C@@H](CO)[C@]23O)c(O)cc1O ZINC000257617774 HE Annotated Anodyne Cc1cc(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@H]4[C@H](O)[C@H](CO)[C@]23O)c(O)cc1O ZINC000257617777 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@]12C ZINC000257631692 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@@]2(C)[C@H]1OC(C)=O ZINC000257631693 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@]2(C)[C@H]1OC(C)=O ZINC000257631694 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H](C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@]12C ZINC000257631695 HE Annotated Anodyne CC(=O)O[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 ZINC000257789808 HE Annotated Mild CC(=O)O[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 ZINC000257789809 HE Annotated Mild CC(=O)O[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 ZINC000257789810 HE Annotated Mild CC(=O)O[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 ZINC000257789811 HE Annotated Mild COC(=O)CCC(=O)OCn1c([S@@](=O)Cc2ccccn2)nc2ccccc21 ZINC000026001993 HE Annotated Anodyne COC(=O)CCC(=O)OCn1c([S@](=O)Cc2ccccn2)nc2ccccc21 ZINC000026001999 HE Annotated Anodyne COc1ccc(C(CN(CCO)CCO)c2ccc(OC)c(OC)c2)cc1OC ZINC000026013415 HE Annotated Anodyne O=C(O)COC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@H](O)C[C@H]2C1 ZINC000026143542 HE Annotated Anodyne O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000026143547 HE Annotated Anodyne O=C(O)COC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000026143554 HE Annotated Anodyne CCOCCN(CCOCC)[C@@H](CCOC)C(=O)Oc1c(OC)cccc1OC ZINC000026143680 HE Annotated Anodyne CCOCCN(CCOCC)[C@H](CCOC)C(=O)Oc1c(OC)cccc1OC ZINC000026143686 HE Annotated Anodyne O=C(Cc1csc2ccc(Cl)cc12)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12 ZINC000026149958 HE Annotated Anodyne CC(=O)OC(CCO[P@](=O)(N(C)C)N(CCCl)CCCl)OC(C)=O ZINC000026153996 HE Annotated Reactive CC(=O)OC(CCO[P@@](=O)(N(C)C)N(CCCl)CCCl)OC(C)=O ZINC000026154002 HE Annotated Reactive COc1ccc([C@@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026162695 HE Annotated Anodyne COc1ccc([C@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026162702 HE Annotated Anodyne COc1ccc([C@@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026162709 HE Annotated Anodyne COc1ccc([C@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026162716 HE Annotated Anodyne CCN[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026166219 HE Annotated Reactive CCN[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl ZINC000026166224 HE Annotated Reactive COc1ccc([C@@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169143 HE Annotated Bother COc1ccc([C@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169148 HE Annotated Bother COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169150 HE Annotated Bother COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000026169155 HE Annotated Bother COc1ccc([C@@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026171917 HE Annotated Anodyne COc1ccc([C@H]2[C@@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026171921 HE Annotated Anodyne COc1ccc([C@@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026171926 HE Annotated Anodyne COc1ccc([C@H]2[C@H](OC(C)=O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026171931 HE Annotated Anodyne COc1cc(N2C(=O)[C@H](OC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026173993 HE Annotated Bother COc1cc(N2C(=O)[C@H](OC(C)=O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026173997 HE Annotated Bother COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026174001 HE Annotated Bother COc1cc(N2C(=O)[C@@H](OC(C)=O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026174005 HE Annotated Bother CO[C@@H](CC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026186627 HE Annotated Anodyne CO[C@H](CC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 ZINC000026186632 HE Annotated Anodyne O=C(O)CCC[C@H](O)[C@H](O)/C=C/C=C/C#C/C=C/[C@@H](O)COc1ccc(F)cc1 ZINC000026265953 HE Annotated Mild Cc1ccc(CN(C)CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)cc1 ZINC000026275692 HE Annotated Anodyne CC(C)Oc1c(Br)c(Br)n(C)c1/C(O)=N/c1nn[nH]n1 ZINC000026278771 HE Annotated Mild C[C@@H]1O[C@@H](OCc2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026280507 HE Annotated Clean C[C@@H]1O[C@H](OCc2ccc3c(c2O)C(=O)c2ccccc2C3=O)C[C@@H](N(C)C)[C@@H]1O ZINC000026280520 HE Annotated Clean CC[C@]1(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O ZINC000026286688 HE Annotated Bother CC[C@@]1(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C(=O)N(c2ccccc2)C(=O)N=C1O ZINC000026286696 HE Annotated Bother CCOC(=O)C=C1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000026293029 HE Annotated Anodyne CO/N=C/C=C1CCN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1 ZINC000026296048 HE Annotated Mild CCOC(=O)[C@@H]1C[C@H]2C[C@@H](CC/C(O)=N/S(C)(=O)=O)CC[C@H]2CN1C(=O)OC ZINC000026376806 HE Annotated Mild N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3ccccc3)CC[C@H]12)c1ccccc1 ZINC000026377595 HE Annotated Anodyne COc1ccc(C(=O)N[C@H](C(=O)NCC2CCN(C(C)C)CC2)c2ncc[nH]2)cc1 ZINC000026380063 HE Annotated Anodyne O=C(NS(=O)(=O)N1CC(F)C1)c1cc(Cl)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000261103145 HE Annotated Anodyne C[C@H]1CN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)[C@H](C)CN1C ZINC000261105674 HE Annotated Mild C[C@H]1CN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)[C@@H](C)CN1C ZINC000261105676 HE Annotated Mild CNC(=O)[C@H]1C[C@@H]1c1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 ZINC000261145026 HE Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1n[nH]c2cc(NC(=O)N[C@H](COC)c3ccccc3)ncc12 ZINC000261145029 HE Annotated Anodyne Cc1nc(-c2cc3ccc(O)c(C=O)c3oc2=O)sc1C(=O)N1CCOCC1 ZINC000261154199 HE Annotated Anodyne Cc1nc(-c2cc3ccc(O)c(C=O)c3oc2=O)sc1C(=O)N1CCN(C)CC1 ZINC000261175763 HE Annotated Anodyne C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCC3(O)CCC3)c2cn1)c1ccccc1 ZINC000261175768 HE Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 ZINC000263590244 HE Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 ZINC000263590245 HE Annotated Anodyne CCCCCCN1CCS(=O)(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)OC)C1 ZINC000263590461 HE Annotated Anodyne COC(=O)[C@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000263590568 HE Annotated Anodyne CC[C@@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1c(C)cccc1C ZINC000263590898 HE Annotated Anodyne CC[C@H](C)CN1C(=O)CN(S(C)(=O)=O)C[C@]1(C)C(=O)Nc1c(C)cccc1C ZINC000263590899 HE Annotated Anodyne COc1cccc([C@@H]2C[C@H](C(F)(F)F)N3NC=C(C(=O)NC[C@H]4CCCO4)C3=N2)c1 ZINC000263591570 HE Annotated Anodyne COc1cccc([C@@H]2C[C@@H](C(F)(F)F)N3NC=C(C(=O)NC[C@H]4CCCO4)C3=N2)c1 ZINC000263591571 HE Annotated Anodyne O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1Cl ZINC000263592016 HE Annotated Bother O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccccc1Cl ZINC000263592187 HE Annotated Bother O=C(NCc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000263592326 HE Annotated Anodyne C/C=C1\CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](OC(C)=O)[C@@]4(C[C@@H]21)c1ccccc1N(C)[C@@H]34 ZINC000263638338 HE Annotated Anodyne C/C=C1\CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccccc4N(C)[C@@H]32)[C@H]1OC(C)=O ZINC000263638339 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 ZINC000263638757 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@@]5(O3)[C@H]1CCN42 ZINC000263638758 HE Annotated Anodyne CN1CCN(Cc2cccc(C(=O)OCN3c4cc(Cl)ccc4O[C@@H]3O)c2)CC1 ZINC000026501352 HE Annotated Anodyne CN1CCN(Cc2cccc(C(=O)OCN3c4cc(Cl)ccc4O[C@H]3O)c2)CC1 ZINC000026501356 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2cccs2)[C@@]2(C)CC[C@@H]1C2 ZINC000026571736 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000026571741 HE Annotated Anodyne O=C(O)C[C@H](NC(=O)c1cccn2c(CCC3CCNCC3)nnc12)c1cccnc1 ZINC000026576488 HE Annotated Anodyne O=C(O)C[C@H](NC(=O)c1cccn2c(/C=C/C3CCNCC3)nnc12)c1cccnc1 ZINC000026578801 HE Annotated Anodyne COCCN1CC=C(c2c(CO)c(CO)cc3cc(OC)c(OC)cc23)CC1=O ZINC000026647275 HE Annotated Anodyne CCOc1cc2cc(CO)c(CO)c(C3=CCN(CCOC)C(=O)C3)c2cc1OC ZINC000026650188 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000026670601 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cccnc4)cs3)[C@H](C)[C@H]12 ZINC000026673860 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccncc4)cs3)[C@H](C)[C@H]12 ZINC000026673980 HE Annotated Anodyne CS(=O)(=O)c1nc(S(C)(=O)=O)c2c3c(n(-c4ccccc4)c2n1)CCCC3 ZINC000026674162 HE Annotated Anodyne CCCc1c(O)c2[nH]c(CCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026674885 HE Annotated Anodyne O=C(Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21)NCc1ccccc1 ZINC000026722898 HE Annotated Bother Cn1ncc2c(c1=O)SCCCN2C(=O)CCNCCOc1cccc(Cl)c1 ZINC000026728340 HE Annotated Anodyne N#Cc1ccc(C(=O)c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)cc1 ZINC000026728345 HE Annotated Mild COc1ccccc1OCCN(C)CCCN1CCCSc2c1cnn(C)c2=O ZINC000026729046 HE Annotated Anodyne O=S(=O)(NN(CCCl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000026734262 HE Annotated Reactive COc1ccccc1N(C(=O)c1ccco1)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736251 HE Annotated Anodyne COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736256 HE Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)OC1(CCN(CCc3ccccn3)CC1)CC2=O ZINC000026746574 HE Annotated Anodyne CN1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)CC1 ZINC000026831517 HE Annotated Anodyne CCSc1ccc2n(c1)cc(-c1ccc(/C=N/Nc3nc(N)nc(N)n3)cc1)[n+]2C ZINC000026831881 HE Annotated Mild C[C@@H](Cc1c[nH]cn1)NC(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026833836 HE Annotated Mild C[C@H](Cc1c[nH]cn1)NC(=N)N/N=C/c1ccc(-c2cn3ccccc3[n+]2C)cc1 ZINC000026833840 HE Annotated Mild C[n+]1c(COc2ccc(/C=N/NC(=N)NO)cc2)cn2cc(C(F)(F)F)ccc21 ZINC000026834574 HE Annotated Mild O=C1c2ccccc2C(=O)c2c(NC[C@@H](Cl)CO)ccc(NC[C@H](Cl)CO)c21 ZINC000026849832 HE Annotated Reactive O=C1c2ccccc2C(=O)c2c(NC[C@@H](Cl)CO)ccc(NC[C@@H](Cl)CO)c21 ZINC000026849839 HE Annotated Reactive O=C1c2ccccc2C(=O)c2c(NC[C@H](Cl)CO)ccc(NC[C@H](Cl)CO)c21 ZINC000026849846 HE Annotated Reactive OCCOCN1CNc2c1nc1nc(-c3ccc(Br)cc3)cn1c2O ZINC000026935711 HE Annotated Anodyne CN(Cc1nc2ccccc2o1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000026935863 HE Annotated Anodyne CN(C(=O)CCC[S@@](=O)c1ccc2c(c1)CN1CC(=O)NC1=N2)C1CCCCC1 ZINC000026936623 HE Annotated Anodyne CN(C(=O)CCC[S@](=O)c1ccc2c(c1)CN1CC(=O)N=C1N2)C1CCCCC1 ZINC000026936629 HE Annotated Anodyne CN1c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2C(N)=NS1(=O)=O ZINC000026978860 HE Annotated Anodyne CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(N)cc1c3[nH]n2CCN(C)C ZINC000026987537 HE Annotated Bother Cc1c(C)c2c(c(C)c1OC(=O)CCN)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026992302 HE Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCN)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000026992308 HE Annotated Anodyne CN(C)CCNC(=O)c1ccc2c3c1nc1ccc(O)cc1c3[nH]n2CCN(C)C ZINC000026995933 HE Annotated Bother COC(=O)CCS[C@@H]1CC(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H]1O ZINC000026997419 HE Annotated Anodyne O=C(CCC(=O)N1CCN(C2CCCC2)CC1)Nc1nnc(C(F)(F)F)s1 ZINC000027075980 HE Annotated Anodyne CN1C(=O)[C@@]23CCCCN2C[C@@]12C[C@@]1(C(=O)Nc4c1ccc(O)c4O)C(C)(C)[C@H]2C3 ZINC000027086368 HE Annotated Clean CCOC(=O)Nc1cc(N[C@@H](C)[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027184560 HE Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027184566 HE Annotated Bother CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027184573 HE Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)[C@H](O)COc2ccccc2)c([N+](=O)[O-])c(N)n1 ZINC000027184580 HE Annotated Bother CCOC(=O)Nc1cc(N[C@@H](C)[C@@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027184586 HE Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)[C@@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027184591 HE Annotated Bother CCOC(=O)Nc1cc(N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027184596 HE Annotated Bother CCOC(=O)Nc1cc(N[C@H](C)[C@H](O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c(N)n1 ZINC000027184601 HE Annotated Bother Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccccn2)CC2CC2)c1 ZINC000027193108 HE Annotated Mild Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2cccnc2)CC2CC2)c1 ZINC000027205669 HE Annotated Mild Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccncc2)CC2CC2)c1 ZINC000027207213 HE Annotated Mild O=C1O[C@@H](CNC(=S)N2CCCC2)CN1c1cc(F)c2c(c1)OC[C@@H]1CCCN21 ZINC000027310407 HE Annotated Anodyne CS(=O)(=O)Nc1cccc2c1OC1(CCN(CCc3ccccn3)CC1)CC2=O ZINC000027310473 HE Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](Sc3ccccn3)S(=O)(=O)[C@@H]12 ZINC000027317426 HE Annotated Mild Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1 ZINC000027317573 HE Annotated Mild CC(=O)CCc1nnc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)s1 ZINC000027412234 HE Annotated Anodyne CC(=S)NNC[C@H]1CN(c2ccc(OCCN3CCCCC3)c(F)c2)C(=O)O1 ZINC000027413609 HE Annotated Clean O=C1O[C@@H](COc2ccon2)CN1c1ccc(C2=CCN(CCO)CC2)c(F)c1 ZINC000027417752 HE Annotated Anodyne CC(=O)NNC[C@H]1CN(c2ccc(OCCOCc3ccccc3)c(F)c2)C(=O)O1 ZINC000027418408 HE Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C(=O)Cc2ccccc2)CC3)C(=O)O1 ZINC000027419668 HE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCN(C(=O)c2ccccc2)CC3)C(=O)O1 ZINC000027430057 HE Annotated Anodyne CCOC(=O)[C@@H](C#N)[C@H]1c2cc(Br)ccc2O[C@H](N)[C@@H]1C(=O)OCC ZINC000027431200 HE Annotated Mild CCOC(=O)[C@H](C#N)[C@H]1c2cc(Br)ccc2O[C@H](N)[C@@H]1C(=O)OCC ZINC000027431205 HE Annotated Mild CCOC(=O)[C@@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@H](N)[C@@H]1C(=O)OCC ZINC000027431209 HE Annotated Mild CCOC(=O)[C@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@H](N)[C@@H]1C(=O)OCC ZINC000027431213 HE Annotated Mild CN(CCBr)[P@@](=O)(OC[C@@H]1CCCO1)On1nnc2ccccc21 ZINC000027434149 HE Annotated Reactive CN(CCBr)[P@](=O)(OC[C@@H]1CCCO1)On1nnc2ccccc21 ZINC000027434153 HE Annotated Reactive CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027435022 HE Annotated Clean CC(C)O[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027435027 HE Annotated Clean CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000027435032 HE Annotated Clean CCCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2 ZINC000027518124 HE Annotated Reactive Cc1c(N2CCN(C)CC2)c(N)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3)c12 ZINC000027518316 HE Annotated Anodyne CCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2 ZINC000027518477 HE Annotated Reactive CCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OCC)OCO2 ZINC000027519027 HE Annotated Reactive C[C@]12CC(=O)[C@@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519068 HE Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519069 HE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@@]12COCO2 ZINC000027519070 HE Annotated Anodyne CCOC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SCC4)CC1 ZINC000027527157 HE Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)CC(=O)NCc1ccccn1 ZINC000027558801 HE Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)CC(=O)NCc1ccccn1 ZINC000027558803 HE Annotated Anodyne Cc1ccc2c(/C=N/NC3=NCCN3)c3ccccc3c(/C=N/NC3=NCCN3)c2c1 ZINC000027558943 HE Annotated Mild Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000027562816 HE Annotated Anodyne COc1ccccc1OC[C@@H]1SCCN1C(=O)CC(=O)NCc1cccnc1 ZINC000027563873 HE Annotated Anodyne COc1ccccc1OC[C@H]1SCCN1C(=O)CC(=O)NCc1cccnc1 ZINC000027563876 HE Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 ZINC000027563933 HE Annotated Anodyne O=C(O)C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1)c1cccs1 ZINC000027564111 HE Annotated Anodyne CC(=O)OC[C@]12C[C@H](OC(=O)CC(C)C)C(C)=C[C@H]1O[C@@H]1C[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000027636809 HE Annotated Anodyne O=C(CBr)NCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000027639506 HE Annotated Reactive CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@@]21CO1 ZINC000027651383 HE Annotated Mild CC(=O)O[C@@H]1[C@@H](O[C@H]2CCCCO2)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@@]21CO1 ZINC000027651387 HE Annotated Mild C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000027653866 HE Annotated Reactive C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 ZINC000027653869 HE Annotated Reactive C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@@]12CO2 ZINC000027654306 HE Annotated Mild C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)C(=C)C)[C@@]2(C)[C@]12CO2 ZINC000027654309 HE Annotated Mild C/C=C\C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@@]12CO2 ZINC000027654588 HE Annotated Anodyne C/C=C\C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)/C=C/C)[C@@]2(C)[C@]12CO2 ZINC000027654592 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027656299 HE Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000027656301 HE Annotated Anodyne CNC(=O)N(C)C(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(OC)c(c42)O[C@H]3C1 ZINC000027656869 HE Annotated Anodyne CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@H](OC)C(OC)=C12 ZINC000027730476 HE Annotated Anodyne CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@@H](OC)C(OC)=C12 ZINC000027730481 HE Annotated Anodyne CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@@H](OC)[C@H](OC)C(OC)=C12 ZINC000027730487 HE Annotated Anodyne CNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@@H](OC)[C@@H](OC)C(OC)=C12 ZINC000027730494 HE Annotated Anodyne CCOC(=O)Nc1cc2c(nc(SCc3ccc4c(c3)OCO4)n2N)c(N)n1 ZINC000027731881 HE Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)nc1)C3=CC2=O ZINC000027737017 HE Annotated Mild COC(=O)c1c(C)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)/C=C/c1ccc(OC)cn1)C3=CC2=O ZINC000027739769 HE Annotated Mild CN(C)CCNC(=O)c1cccc2nc3ccc4c(OCC(N)=O)cccc4c3nc12 ZINC000027842753 HE Annotated Clean CC[n+]1cccc2c3cc(C4=C(C(=O)O)N5C(=O)[C@H]([C@@H](C)O)[C@H]5C4)ccc3n(C)c21 ZINC000027853910 HE Annotated Anodyne CCNS(=O)(=O)Oc1c(I)cc(C(C)(C)C)cc1CN ZINC000027855816 HE Annotated Anodyne CN(C)S(=O)(=O)Oc1c(I)cc(C(C)(C)C)cc1CN ZINC000027856403 HE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1N1CCOCC1 ZINC000027875870 HE Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C(SC)SC)S(=O)(=O)[C@H]12 ZINC000027899704 HE Annotated Anodyne CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)C(=C(SC)SC)S(=O)(=O)[C@@H]12 ZINC000027899707 HE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2CC#Cc3ccccc3C#CCC2)c([N+](=O)[O-])c1 ZINC000027989264 HE Annotated Mild COCC/N=C(/N)Nc1nnc(-c2ccccc2I)s1 ZINC000028005537 HE Annotated Mild C=C(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028016982 HE Annotated Mild C/N=C(\S)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 ZINC000028089907 HE Annotated Mild COc1cc([C@@H]2c3cc4c(cc3[C@@H](O)[C@@]23CCOC3=O)OCO4)cc(OC)c1O ZINC000028099624 HE Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@]23CCOC3=O)OCO4)cc(OC)c1O ZINC000028101538 HE Annotated Anodyne CCN(CC)CCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125369 HE Annotated Mild CCN(CC)CCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028125375 HE Annotated Mild O=C(NCC(=O)N(CCOCCO)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 ZINC000028129834 HE Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(=O)C(C)(C)C)C1=O ZINC000028217942 HE Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(=O)C(C)(C)C)C1=O ZINC000028217945 HE Annotated Mild COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@H]3CO)cc(OC)c1OC ZINC000028220075 HE Annotated Anodyne O=C1NC(=O)[C@H](c2cc(Cl)ccc2S(=O)(=O)NCCCc2ccccc2)N1 ZINC000028224310 HE Annotated Anodyne O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCCCc2ccccc2)N1 ZINC000028224314 HE Annotated Anodyne CS(=O)(=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@@H]2C(=O)O ZINC000028225799 HE Annotated Anodyne CS(=O)(=O)c1cc2n(c1C(=O)c1ccc(Br)cc1)CC[C@H]2C(=O)O ZINC000028225803 HE Annotated Anodyne Cc1c(F)c(N2C[C@H](N)[C@H]2C)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F ZINC000028226928 HE Annotated Anodyne O=C(O)COCCCC[C@@H]1[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC[C@H]1F ZINC000028229799 HE Annotated Bother CCc1nc2n(c1C(=O)NN1CCN(C(C)=O)CC1)CCN2c1c(C)cc(C)cc1C ZINC000028338601 HE Annotated Anodyne Cn1cncc1CN1C[C@@H](NS(=O)(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000028338806 HE Annotated Mild Cn1cncc1CN1C[C@H](NS(=O)(=O)c2ccccc2)Cc2cc(C#N)ccc21 ZINC000028338813 HE Annotated Mild O=C(O)C[C@H](c1cnc[nH]1)N(Cc1nc[nH]n1)C1CCN(Cc2ccccc2)CC1 ZINC000028339785 HE Annotated Anodyne O=C(O)C[C@@H](c1cnc[nH]1)N(Cc1nc[nH]n1)C1CCN(Cc2ccccc2)CC1 ZINC000028339791 HE Annotated Anodyne COC(=O)[C@]12C[C@H]3C[C@@H]4[C@H](C)OCN(CCc5c1n(c1cc(OC)ccc51)C3=O)[C@@H]42 ZINC000028375963 HE Annotated Anodyne COC(=O)[C@]12C[C@H]3C[C@H]4[C@H](C)OCN(CCc5c1n(c1cc(OC)ccc51)C3=O)[C@@H]42 ZINC000028375970 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000028376131 HE Annotated Anodyne N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)CC12CC2 ZINC000028386123 HE Annotated Anodyne COc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 ZINC000028393686 HE Annotated Anodyne COc1ccc(/C=C\C(=O)O[C@H](C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 ZINC000028393692 HE Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 ZINC000028394215 HE Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)[C@H]2C[C@@H]2[C@H](O)[C@H]2CC=CC(=O)O2)cc1 ZINC000028394223 HE Annotated Anodyne N[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(O)cc2)CC12CC2 ZINC000028394453 HE Annotated Anodyne CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)nc2)cc1 ZINC000028461592 HE Annotated Anodyne COc1cc(C2=NN[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc(OC)c1OC ZINC000028468691 HE Annotated Anodyne COc1cc(C2=NN[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2O)cc(OC)c1OC ZINC000028468695 HE Annotated Anodyne COc1cc(C2=NN[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc(OC)c1OC ZINC000028468697 HE Annotated Anodyne COc1cc(C2=NN[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2O)cc(OC)c1OC ZINC000028468700 HE Annotated Anodyne COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2sc(C)c(C)n2c1/C=N/N=C(N)N ZINC000028475602 HE Annotated Mild COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(C)c(C)n2c1/C=N/N=C(N)N ZINC000028476001 HE Annotated Mild COc1ccc(OC)c([N+](=O)[O-])c1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N ZINC000028476156 HE Annotated Mild COC(=S)NC[C@H]1CN(c2ccc(-n3nnc4ccccc43)c(F)c2)C(=O)O1 ZINC000028522146 HE Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/N=C(N)N ZINC000028522162 HE Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccco4)CC3)c(F)c2)C(=O)O1 ZINC000028526175 HE Annotated Anodyne CCN(CC)C(=S)N/N=C1\C(=O)N(CN2C[C@H](C)O[C@@H](C)C2)c2ccccc21 ZINC000028528284 HE Annotated Mild CCOC(=O)N/C(=N/C(C)C)NC1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000028528528 HE Annotated Mild C[C@H]1CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)C[C@@H](C)O1 ZINC000028563369 HE Annotated Mild CC[C@@H](C)CNc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028563396 HE Annotated Mild CC[C@H](C)CNc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028563398 HE Annotated Mild C[C@H]1C[C@@H](C)CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)C1 ZINC000028566336 HE Annotated Mild CC(C)(C)CNc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cn1 ZINC000028566480 HE Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC[C@@H]2CCCO2)nc1 ZINC000028567818 HE Annotated Mild CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)c(C#N)c2NC[C@H]2CCCO2)nc1 ZINC000028567819 HE Annotated Mild CC[C@@H](COC)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569556 HE Annotated Mild CC[C@H](COC)Oc1c(C#N)c(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cn1 ZINC000028569557 HE Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3[C@@H](O)CC[C@@H]3C(=O)NCCS)ccc2c1 ZINC000028570272 HE Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3[C@@H](O)CC[C@@H]3C(=O)NCCS)ccc2c1 ZINC000028570273 HE Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3[C@H](O)CC[C@@H]3C(=O)NCCS)ccc2c1 ZINC000028570274 HE Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3[C@H](O)CC[C@@H]3C(=O)NCCS)ccc2c1 ZINC000028570275 HE Annotated Mild C=C(C)n1c(=O)n(Cc2nc3ccccc3n2CCc2nnn[nH]2)c2ccccc21 ZINC000028570299 HE Annotated Mild COc1ccc([C@H]2[C@@H]3CS(=O)(=O)c4ccc(OC)cc4C3=NN2C(C)=O)cc1 ZINC000028636341 HE Annotated Anodyne COc1ccc([C@H]2[C@H]3CS(=O)(=O)c4ccc(OC)cc4C3=NN2C(C)=O)cc1 ZINC000028636344 HE Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644153 HE Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644156 HE Annotated Mild O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1)c1ccc(Cc2ccc(F)cc2)o1 ZINC000028649658 HE Annotated Mild COc1c(N2CC[C@@H](CNCCC#N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000028703390 HE Annotated Mild CN[C@@H](CC#N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000028703410 HE Annotated Mild CN[C@@H](CC#N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C1 ZINC000028703412 HE Annotated Mild O=C1O[C@@H](CO)CN1c1ccc(N2CCN(c3ccc([N+](=O)[O-])s3)CC2)c(F)c1 ZINC000028706950 HE Annotated Bother Cn1c(=O)[nH]c(N2CCC(O)(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O ZINC000028707972 HE Annotated Anodyne CCC(C)(C)Nc1nc(NCCO)nc2c(NC(C)(C)CC)nc(NCCO)nc12 ZINC000028710665 HE Annotated Anodyne O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2ncc(CO)cn2)CC1 ZINC000028711634 HE Annotated Anodyne CCOC(=O)CCC(=O)Nc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O ZINC000028712233 HE Annotated Anodyne O=C1[C@@H]2C=CC=C3C=CC=C([C@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@@H]1[C@@H]32 ZINC000028713276 HE Annotated Anodyne O=C1[C@H]2C=CC=C3C=CC=C([C@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@@H]1[C@@H]32 ZINC000028713277 HE Annotated Anodyne O=C1[C@@H]2C=CC=C3C=CC=C([C@@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@@H]1[C@@H]32 ZINC000028713278 HE Annotated Anodyne O=C1[C@H]2C=CC=C3C=CC=C([C@@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@@H]1[C@@H]32 ZINC000028713279 HE Annotated Anodyne CCO[C@@H]1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000028755449 HE Annotated Anodyne CCO[C@H]1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000028755450 HE Annotated Anodyne CCO[C@@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000028755452 HE Annotated Anodyne CCO[C@H]1CC[C@H]2CCCC[C@@H]2[C@@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000028755453 HE Annotated Anodyne N=C(N)c1ccc(C(=O)N2CCC3(CCN(C(=O)CCCC(=O)O)CC3)CC2)cc1 ZINC000028755510 HE Annotated Anodyne O=C(O)COC1CCN(C(=O)N2CCC3(CC2)CCN(c2ccncc2)CC3)CC1 ZINC000028757270 HE Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757718 HE Annotated Clean CN(C)CCCn1nc2c3c(c(NCCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028757891 HE Annotated Clean CCOCC/N=C(\NCCOCC)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000028760047 HE Annotated Mild O=C1N[C@H](Cc2ccccc2)C2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761400 HE Annotated Anodyne O=C1N[C@H](Cc2ccccc2)C2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761402 HE Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)C2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761404 HE Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)C2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)O1 ZINC000028761406 HE Annotated Anodyne OCCOCCNCc1c2ccccc2c(CNCCOCCO)c2ccccc12 ZINC000028762132 HE Annotated Bother CO[C@H]1[C@@H](O)CO[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@@H]1O ZINC000028762760 HE Annotated Bother CO[C@H]1CO[C@@H]([n+]2ccc3c(C)c4[nH]c5ccc(O)cc5c4c(C)c3c2)[C@H](O)[C@H]1O ZINC000028762901 HE Annotated Bother CO[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1[n+]1ccc2c(C)c3[nH]c4ccc(O)cc4c3c(C)c2c1 ZINC000028763433 HE Annotated Bother COc1ccc2c(c1)c(S(C)(=O)=O)c(/C(O)=N/c1nn[nH]n1)n2-c1ccccc1 ZINC000028769115 HE Annotated Mild CC(=O)NCCCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccccc1C2=O ZINC000028770440 HE Annotated Clean Nn1c(SCC(=O)c2ccc(O)c(O)c2)nc2sc3c(c2c1=O)CCCC3 ZINC000028814861 HE Annotated Clean CC(C)N1CC[C@@](C#N)(NC(=O)[C@@H](CC(=O)N2CCOCC2)CC2CCCCC2)C1 ZINC000028817763 HE Annotated Mild O=C1CS(=O)(=O)[C@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 ZINC000028819494 HE Annotated Anodyne O=C1CS(=O)(=O)[C@@H](c2ccc(F)c(Br)c2)N1CCc1ccccn1 ZINC000028819496 HE Annotated Anodyne Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1 ZINC000028822447 HE Annotated Clean in-vivo Cc1nnc(C(=O)[C@@H]2CC(F)(F)CN2C(=O)CNC23CC4CC(CC(C4)C2)C3)o1 ZINC000028823385 HE Annotated Anodyne Cc1csc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@H](C)C2)c1 ZINC000028826904 HE Annotated Anodyne Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@H](C)C2)s1 ZINC000028826905 HE Annotated Anodyne COc1cc2c(S(=O)(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c2cn1 ZINC000028826944 HE Annotated Anodyne COc1cc2c(S(=O)(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)c[nH]c2cn1 ZINC000028826961 HE Annotated Anodyne CC(C)N/C(=N/C1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1)NC(=O)C(C)C ZINC000028866586 HE Annotated Mild CCCC(=O)N/C(=N\C1=NC(=O)C(=O)N1c1ccc(Cl)c(Cl)c1)NC(C)C ZINC000028866589 HE Annotated Mild C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 ZINC000028868013 HE Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@@H](C)O1 ZINC000028868016 HE Annotated Bother C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)C[C@H](C)O1 ZINC000028868020 HE Annotated Bother COc1ccc2cc(-c3cn([C@@H]4C(=O)N5[C@@H](C(=O)O)[C@H](C)S[C@H]45)nn3)ccc2c1 ZINC000028869334 HE Annotated Anodyne COc1ccc2cc(-c3cn([C@@H]4C(=O)N5[C@@H](C(=O)O)[C@@H](C)S[C@H]45)nn3)ccc2c1 ZINC000028869338 HE Annotated Anodyne C=C(C)Cn1c(=O)n(C)c(=O)c2[nH]c(Cc3cncc4cc(OC)c(OC)cc34)nc21 ZINC000028881975 HE Annotated Mild C[C@@H]1CN(c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)[C@H](C)CO1 ZINC000028883712 HE Annotated Anodyne C[C@@H]1CN(c2c(C#N)c(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)[C@H](C)CO1 ZINC000028883736 HE Annotated Mild CCc1cc(Br)ccc1S(=O)(=O)NC[C@H](O)CN1C[C@@H](C)C[C@@H]1C ZINC000028892215 HE Annotated Anodyne CCc1cc(Br)ccc1S(=O)(=O)NC[C@H](O)CN1C[C@H](C)C[C@@H]1C ZINC000028892220 HE Annotated Anodyne C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899624 HE Annotated Anodyne C[C@H](NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 ZINC000028899631 HE Annotated Anodyne C=CCNC(=O)C1(N(CCCN2CCOCC2)C(=O)c2cccnc2)CCCCC1 ZINC000028953307 HE Annotated Mild O=C(O)CCCCN([C@@H]1CCCCNC1=O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957793 HE Annotated Anodyne Cn1nc(C(F)(F)F)cc1[C@@H](O)Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000028958535 HE Annotated Anodyne Cn1nc(C(F)(F)F)cc1[C@H](O)Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000028958538 HE Annotated Anodyne CC(=O)O[C@]12CCC(C(N)=O)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O ZINC000028966300 HE Annotated Anodyne COc1ccccc1/C(C)=C/CN(C)CCCC(P(=O)(O)O)P(=O)(O)O ZINC000028968400 HE Annotated Anodyne NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N[C@@H]1CCC(F)(F)C1 ZINC000029038950 HE Annotated Anodyne NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N[C@H]1CCC(F)(F)C1 ZINC000029038951 HE Annotated Anodyne NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)N1CCC(F)(F)CC1 ZINC000029038955 HE Annotated Anodyne Cc1ccc(Oc2ccc(N(C[C@@H](NC(C)C)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029039707 HE Annotated Bother Cc1ccc(Oc2ccc(N(C[C@H](NC(C)C)C(=O)NO)S(C)(=O)=O)cc2)cc1 ZINC000029039711 HE Annotated Bother O=C(O)CCC(=O)Nc1ccc(Br)cc1C(=O)N1CCSCC1 ZINC000029044764 HE Annotated Anodyne CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CNC(=O)OC(C)(C)C ZINC000029050261 HE Annotated Reactive Cc1c(C(=O)/C=C/NNC(N)=S)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 ZINC000029123455 HE Annotated Mild Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 ZINC000029126617 HE Annotated Anodyne C[C@H]1COc2c(N3C[C@@H](C)O[C@H](C)C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029127039 HE Annotated Bother C[C@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C[C@@H](C)O1 ZINC000029127040 HE Annotated Bother C[C@@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1 ZINC000029127041 HE Annotated Bother C[C@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn4c3c2OC[C@H]4C)C[C@@H](C)O1 ZINC000029127042 HE Annotated Bother C[C@@H]1COc2c(N3CCSCC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029127086 HE Annotated Bother C[C@H]1COc2c(N3CCSCC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029127087 HE Annotated Bother COC(=O)Nc1nc2cc(C(=O)c3ccc(F)cc3)ccc2n1COP(=O)(O)O ZINC000029134784 HE Annotated Anodyne COc1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000029216170 HE Annotated Anodyne COc1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 ZINC000029216175 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc(C#N)cc4s3)[C@H](C)[C@H]12 ZINC000029216700 HE Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4ccc([N+](=O)[O-])cc4s3)[C@H](C)[C@H]12 ZINC000029217895 HE Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4c(CO)csc4s3)[C@H](C)[C@H]12 ZINC000029218492 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc4cc(CO)ccc4s3)[C@H](C)[C@H]12 ZINC000029218895 HE Annotated Anodyne CC(C)(C)OC(=O)NCCCC(=O)NCCSCc1csc(C=C(N)N)n1 ZINC000029221625 HE Annotated Anodyne O=C1C(N2CC2)=C(N2CC2)C(=O)c2c(OS(=O)(=O)/C=C/c3ccccc3)cccc21 ZINC000029230509 HE Annotated Mild CCc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)cc1 ZINC000029245909 HE Annotated Mild Cc1nnc(CNC(=O)CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000029250128 HE Annotated Anodyne O=C(C[C@@H]1Sc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O)NO ZINC000029250303 HE Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O)NO ZINC000029250310 HE Annotated Bother CN1CCN(c2ccc(O)c([C@@]3(O)C(=O)Nc4cc(C(F)(F)F)ccc43)c2)CC1 ZINC000029251267 HE Annotated Anodyne CN1CCN(c2ccc(O)c([C@]3(O)C(=O)Nc4cc(C(F)(F)F)ccc43)c2)CC1 ZINC000029251274 HE Annotated Anodyne COc1cc(O)c2c(c1C)C(=O)OCCCC(=O)N[C@H](c1nc(C)no1)CSC2 ZINC000029251941 HE Annotated Anodyne CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@@H]1S(C)(=O)=O ZINC000029311437 HE Annotated Anodyne CC(C)=C(C(=O)OC(C)(C)C)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@H]1S(C)(=O)=O ZINC000029311444 HE Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318493 HE Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCCOC(=O)CN3CCOCC3)ccc2c1 ZINC000029318497 HE Annotated Anodyne CCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C ZINC000029330037 HE Annotated Anodyne C/C(=C\C(=O)c1ccccc1)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029342307 HE Annotated Mild C/C(=C\C(=O)c1ccccc1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000029342310 HE Annotated Mild CN1CCN(c2c(F)c(N(C)C)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000029390372 HE Annotated Anodyne c1cc(N2CCN(c3ccc(C4=NCCCN4)cc3)CC2)ccc1C1=NCCCN1 ZINC000029394188 HE Annotated Anodyne Cc1nn(C)c(NC(=O)CNCCN2CCCCC2)c1C(=O)c1ccccc1F ZINC000029395097 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N(C)Cc3ccccc3)[C@H](C)[C@H]12 ZINC000029396175 HE Annotated Anodyne Cc1nn(C)c(NC(=O)CNCCCNC(C)(C)C)c1C(=O)c1ccccc1F ZINC000029396693 HE Annotated Anodyne CN1[C@@H](SCCS(=O)(=O)O)CCO[P@@]1(=O)N(CCCl)CCCl ZINC000029399396 HE Annotated Reactive CN1[C@H](SCCS(=O)(=O)O)CCO[P@@]1(=O)N(CCCl)CCCl ZINC000029399398 HE Annotated Reactive CCNC(=O)NS(=O)(=O)c1ccc(-n2nc(C)c(Br)c2C)cc1 ZINC000029399480 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c2ccsc2)[C@@]2(C)CC[C@@H]1C2 ZINC000029409513 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000029409516 HE Annotated Anodyne O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(O)cc1 ZINC000029416638 HE Annotated Anodyne CC(=O)NCC(=O)N1[C@@H](C(=O)N/C=C\c2c[nH]c3ccccc23)CSC1(C)C ZINC000029463288 HE Annotated Anodyne CC(=O)NCC(=O)N1[C@H](C(=O)N/C=C\c2c[nH]c3ccccc23)CSC1(C)C ZINC000029463292 HE Annotated Anodyne Cc1cc(N(C)C(=O)C2=C(N3CCCC3)c3ccccc3S(=O)(=O)N2C)no1 ZINC000029471566 HE Annotated Anodyne COCC/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1 ZINC000029477890 HE Annotated Anodyne CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000029485270 HE Annotated Bother N#Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@H](CCC(N)=O)C(N)=O)cc1 ZINC000029555625 HE Annotated Mild N#Cc1ccc(CN(Cc2cc(-c3ccccc3)on2)[C@@H](CCC(N)=O)C(N)=O)cc1 ZINC000029555628 HE Annotated Mild O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000029565651 HE Annotated Reactive O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1 ZINC000029565655 HE Annotated Reactive CN(C)C[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC42CC2)C1 ZINC000029568709 HE Annotated Anodyne CN(C)C[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC42CC2)C1 ZINC000029568712 HE Annotated Anodyne O=C(O)COCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000029571427 HE Annotated Anodyne CN(CCBr)[P@@](=O)(OC[C@H]1CCCO1)On1nnc2ccccc21 ZINC000299805704 HE Annotated Reactive CN(CCBr)[P@](=O)(OC[C@H]1CCCO1)On1nnc2ccccc21 ZINC000299805705 HE Annotated Reactive CN1CC[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@H]21 ZINC000299805937 HE Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@H](O)[C@H](CNCc4ccccc4)C3)c2n1 ZINC000299810641 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc5ccccc45)[C@@H](O)[C@H]3O)cnc1-2 ZINC000299810866 HE Annotated Anodyne Nc1[nH]cnc2c([C@@H]3N[C@H](CSc4cccc5ccccc45)[C@H](O)[C@H]3O)cnc1-2 ZINC000299810867 HE Annotated Anodyne C/C=C1\C[N@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000299811018 HE Annotated Bother CCC[C@@H](O)[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811276 HE Annotated Anodyne CCC[C@@H](O)[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811277 HE Annotated Anodyne CCC[C@@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000299811278 HE Annotated Anodyne CCC[C@@H](O)[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000299811279 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CCCCO ZINC000299811319 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CCCCO ZINC000299811320 HE Annotated Anodyne COCC/C=C/[C@@]12[C@@H]3C[C@H]4[C@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811366 HE Annotated Anodyne COCC/C=C/[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@@H]12 ZINC000299811367 HE Annotated Anodyne COCC/C=C/[C@@]12[C@@H]3CCN1[C@H]1C[C@H]2O[C@@]32O/C(=C3\OC(=O)C(C)=C3OC)[C@H](C)[C@H]12 ZINC000299811414 HE Annotated Anodyne COCC/C=C/[C@@]12[C@@H]3C[C@H]4[C@@H]5[C@@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@H]1CCN42 ZINC000299811417 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@@H](C)O ZINC000299811520 HE Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23O[C@H]4C[C@@H]([C@H]2[C@H]1C)N1CC[C@H]3[C@]41CC[C@@H](C)O ZINC000299811521 HE Annotated Anodyne CN1[C@@H](SCCS(=O)(=O)O)CCO[P@]1(=O)N(CCCl)CCCl ZINC000299811609 HE Annotated Reactive COc1cc(C=c2nc(O)c(=Cc3c[nH]c4ccccc34)nc2O)cc(OC)c1OC ZINC000299812358 HE Annotated Anodyne CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000299813661 HE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000299813662 HE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000299813663 HE Annotated Mild CC(C)CON=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000299813664 HE Annotated Mild CC(C)(C)N1C(=O)[C@H]2[C@@H]3[C@H](CC[C@H]2C1=O)C(=NOCc1ccccc1)C[C@H](O)[C@@H]3O ZINC000299813719 HE Annotated Mild CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@@H]3[C@H]2C1=O ZINC000299813720 HE Annotated Mild CC(C)(C)N1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]32)C1=O ZINC000299813721 HE Annotated Mild CC(C)(C)N1C(=O)[C@@H]2CC[C@@H]3C(=NOCc4ccccc4)C[C@H](O)[C@H](O)[C@H]3[C@H]2C1=O ZINC000299813722 HE Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@@H](OC(C)=O)O2 ZINC000299814362 HE Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@H]2C[C@H]1[C@@]4(C(=O)OC)[C@H](OC(C)=O)O2 ZINC000299814363 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@H]12 ZINC000299815828 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]2N=C(c3ccccc3)O[C@H]12 ZINC000299815829 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000299815830 HE Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nc3ccccc3s2)=C[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299815840 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC[C@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000299816123 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC[C@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000299816124 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC[C@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000299816125 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC[C@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000299816126 HE Annotated Anodyne CC(=O)Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1 ZINC000299816405 HE Annotated Reactive CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(Br)c2)nc1O ZINC000299816510 HE Annotated Anodyne CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1n1ccc(O)nc1=O ZINC000299816860 HE Annotated Reactive CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1n1ccc(O)nc1=O ZINC000299816861 HE Annotated Reactive CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]1n1ccc(O)nc1=O ZINC000299816862 HE Annotated Reactive CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(Br)cc2)nc1O ZINC000299816864 HE Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2Br)nc1O ZINC000299816887 HE Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H]3OC(=O)C[C@H]3O[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000299821074 HE Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H]3OC(=O)C[C@H]3O[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000299821078 HE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2O)cc1 ZINC000299825708 HE Annotated Mild O=C(NCc1ccco1)c1cn2cc(-c3cnn(CCN4CCOCC4)c3)ccc2n1 ZINC000299826292 HE Annotated Anodyne Cc1cnc(NC(=O)[C@@H]2C=CCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)s1 ZINC000299830076 HE Annotated Anodyne c1ccc2c(c1)CN(c1ccc(C3=NCCN3)nc1)/C2=N/c1ccc(C2=NCCN2)nc1 ZINC000299830621 HE Annotated Mild O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CC[C@H](O)C3)[C@H]21 ZINC000299831629 HE Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CC[C@@H](O)C3)[C@H]21 ZINC000299831630 HE Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CC[C@H](O)C3)[C@@H]21 ZINC000299831633 HE Annotated Anodyne O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNC[C@H]3CCCO3)c(O)cc(O)c12 ZINC000299831934 HE Annotated Clean O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CNC[C@@H]3CCCO3)c(O)cc(O)c12 ZINC000299831935 HE Annotated Clean O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)O ZINC000299832036 HE Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O ZINC000299832038 HE Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O ZINC000299832039 HE Annotated Anodyne O=C(O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000299832040 HE Annotated Anodyne O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN[C@@H]2CCC[C@H](N3CC[C@@H](O)C3)[C@@H]21 ZINC000299832060 HE Annotated Anodyne O=CN1CCCN(c2nc3cc(O)c4c(c3s2)C(=O)c2cccc(O)c2C4=O)CC1 ZINC000299833524 HE Annotated Clean COc1ccc(/C=N/OC[C@H](O)CNN2C[C@H](C)O[C@H](C)C2)cc1OC1CCCC1 ZINC000299833994 HE Annotated Mild COc1ccc(/C=N/OC[C@H](O)CNN2C[C@@H](C)O[C@H](C)C2)cc1OC1CCCC1 ZINC000299833996 HE Annotated Mild COc1ccc(/C=N/OC[C@@H](O)CNN2C[C@H](C)O[C@H](C)C2)cc1OC1CCCC1 ZINC000299833999 HE Annotated Mild COc1ccc(/C=N/OC[C@H](O)CNN2C[C@H](C)O[C@@H](C)C2)cc1OC1CCCC1 ZINC000299834000 HE Annotated Mild CCOC(=O)N1CCC(CN2CCC3(CC2)CN(C(N)=O)c2ncccc23)CC1 ZINC000299835426 HE Annotated Anodyne COC(=O)[C@@H](NC(=O)CSC1=C(C)C(=O)c2cccc(OC)c2C1=O)C(C)C ZINC000299836036 HE Annotated Mild COc1ccc2c(c1)[C@H](C1C(=O)N(C)C(=O)N(C)C1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000299836214 HE Annotated Mild COc1ccc2c(c1)[C@@H](C1C(=O)N(C)C(=O)N(C)C1=O)C1=C(CC(C)(C)CC1=O)O2 ZINC000299836216 HE Annotated Mild CC[C@H](C)[C@H](NC(=O)CSC1=CC(=O)c2cccc(OC)c2C1=O)C(=O)OC ZINC000299836852 HE Annotated Mild CC[C@H](C)[C@H](NC(=O)CSC1=C(OC)C(=O)c2ccccc2C1=O)C(=O)OC ZINC000299838158 HE Annotated Mild COc1cc(CNCCNC(=O)c2cnon2)ccc1OCc1ccc(Cl)nc1 ZINC000299838506 HE Annotated Anodyne COc1c(I)cc(S(=O)(=O)N(C)C)c2ccc(C)nc12 ZINC000299838625 HE Annotated Anodyne O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)n1 ZINC000299839955 HE Annotated Bother O=C1NC(=S)NC(=O)C1=Cc1c(Cl)c2cc(Br)ccc2oc1=O ZINC000299840257 HE Annotated Clean NC(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 ZINC000299851045 HE Annotated Anodyne C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342 ZINC000299852497 HE Annotated Reactive C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324 ZINC000299852498 HE Annotated Reactive C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324 ZINC000299852499 HE Annotated Reactive C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342 ZINC000299852500 HE Annotated Reactive Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(c3ccccc3)CC2)c(=O)c1=O ZINC000299852757 HE Annotated Anodyne CC(C)OC(=O)N[C@H]1C[C@]2(O)c3cc(C#N)ccc3N(Cc3ccccn3)[C@@]2(O)C1 ZINC000299853747 HE Annotated Mild CC(C)OC(=O)N[C@H]1C[C@]2(O)c3cc(C#N)ccc3N(Cc3ccccn3)[C@]2(O)C1 ZINC000299853748 HE Annotated Mild CC(C)OC(=O)N[C@H]1C[C@@]2(O)c3cc(C#N)ccc3N(Cc3ccccn3)[C@@]2(O)C1 ZINC000299853749 HE Annotated Mild CC(C)OC(=O)N[C@@H]1C[C@@]2(O)N(Cc3ccccn3)c3ccc(C#N)cc3[C@]2(O)C1 ZINC000299853750 HE Annotated Mild COc1ccc2nc(COc3ccc(C[C@]4(O)SC(=O)NC4=O)cc3)n(C)c2c1 ZINC000299854381 HE Annotated Anodyne COc1ccc2nc(COc3ccc(C[C@@]4(O)SC(=O)NC4=O)cc3)n(C)c2c1 ZINC000299854382 HE Annotated Anodyne CC(=O)N[C@@H](CSCc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1)C(=O)O ZINC000299854500 HE Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(C)C ZINC000299855849 HE Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(C)C ZINC000299855851 HE Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(C)C ZINC000299855853 HE Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(C)C ZINC000299855854 HE Annotated Anodyne CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(/C(N)=N\O)cc12 ZINC000299856571 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1[N@@+]([O-])(CC)C5)[C@@H]3C[C@@H]2O ZINC000299857423 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1[N@+]([O-])(CC)C5)[C@@H]3C[C@@H]2O ZINC000299857424 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2O ZINC000299857805 HE Annotated Mild COc1ccccc1C=c1c(O)nc(=Cc2cccc(Cl)c2Cl)c(=O)n1C ZINC000299858079 HE Annotated Anodyne CCCc1nn(C)c(C(N)=O)c1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000299859023 HE Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N(C(C)=O)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1OC(C)=O ZINC000299859254 HE Annotated Mild C=C1[C@H]2C[C@@H]3[C@@H]4N(C(C)=O)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1OC(C)=O ZINC000299859255 HE Annotated Mild COc1ccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c(OC)c1 ZINC000299861154 HE Annotated Mild O[C@@](CSc1nnc(-c2ccncc2)[nH]1)(Cn1cncn1)c1ccc(F)cc1F ZINC000299862120 HE Annotated Anodyne O[C@](CSc1nnc(-c2ccncc2)[nH]1)(Cn1cncn1)c1ccc(F)cc1F ZINC000299862122 HE Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@H]1O)[C@H]1O[C@H]1C(=O)[C@H]1O[C@H]12 ZINC000299862181 HE Annotated Anodyne CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(O[C@@H]1O)[C@H]1O[C@H]1C(=O)[C@H]1O[C@H]12 ZINC000299862183 HE Annotated Anodyne COc1ccc(OC)c(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)c1 ZINC000299864924 HE Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(S(C)(=O)=O)=CC(=O)C[C@H]1C ZINC000299866880 HE Annotated Mild O=C1OCC2=C1[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299868372 HE Annotated Bother O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)c1c(-c3ccccc3)n[nH]c1N2 ZINC000299868375 HE Annotated Bother COc1ccc(N2C3=C(C(=O)CCC3)[C@]3(O)C(=O)c4ccccc4[C@]23O)cc1OC ZINC000299868408 HE Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2O ZINC000299869218 HE Annotated Mild O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)NC1CC1 ZINC000299869500 HE Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(C)=O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(C)=O ZINC000299869837 HE Annotated Mild CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000299873711 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299876494 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299876495 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299879701 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000299879702 HE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299881987 HE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccoc2)C1 ZINC000299881988 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299884622 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000299884623 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884925 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884926 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885692 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000299885693 HE Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299885800 HE Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299885801 HE Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299886622 HE Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000299886623 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299887709 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299887710 HE Annotated Anodyne CCOC(=O)N1CCC(NC(=O)c2sc3nc4n(c(=O)c3c2C)CCCC4)CC1 ZINC000003007419 HE Annotated Anodyne CC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CS(=O)(=O)C2 ZINC000003008440 HE Annotated Anodyne CN1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3F)c([N+](=O)[O-])c2)CC1 ZINC000003017423 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000003036405 HE Annotated Anodyne O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ncccn2)CC1 ZINC000003058607 HE Annotated Anodyne CS(=O)(=O)N(C(=O)NC(=O)OC[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000003170985 HE Annotated Anodyne CS(=O)(=O)N(C(=O)NC(=O)OC[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000003170986 HE Annotated Anodyne Cc1c(/C=N/NC(=O)c2cc(=O)[nH]c(O)n2)c2ccccn2c1C(=O)c1ccccc1 ZINC000003188143 HE Annotated Reactive O=C(OCC(=O)N1CCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000003244970 HE Annotated Anodyne CN(C)/C=c1/sc2c(C#N)cc(C(=O)c3ccc(Br)cc3)n2c1=O ZINC000003286594 HE Annotated Mild COc1ccc(C)cc1NC(=O)COC(=O)CCc1nc(=O)c2ccccc2n1C ZINC000003301510 HE Annotated Anodyne O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCCN1C(=O)CSC1=O ZINC000003385523 HE Annotated Anodyne Cc1ccccc1-c1nnn(CC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000003412145 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1CCCCC1)n2C ZINC000003434131 HE Annotated Anodyne CC(C)CNC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1 ZINC000003439968 HE Annotated Anodyne CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@H]3[C@@](C)(C=O)[C@@H](O)CC[C@]23C)[C@H]1C ZINC000030726660 HE Annotated Mild in-vitro COC(=O)C1=CO[C@H](O)[C@H]2[C@@H]1Cc1nc(C(=O)O)cc3c4cc(O)ccc4n(c13)[C@@H]2C ZINC000030726744 HE Annotated Anodyne in-vitro CC(=O)OC[C@@]12C(=O)C[C@](C)(O)[C@](C)(CCc3ccoc3)[C@H]1[C@@H](O)CC[C@]21CO1 ZINC000031155984 HE Annotated Anodyne in-vitro biogenic C=C[C@]1(C)CC(=O)[C@H]([C@H](CO)COC(C)=O)[C@]12C(=O)Oc1cccc(C)c1C2=O ZINC000031161132 HE Annotated Anodyne CC(=O)OC[C@@]12[C@@H]3CCC[C@]1(O)C(=O)O[C@@H]2C[C@@H](C)[C@]31C[C@@H](c2ccoc2)OC1=O ZINC000031162695 HE Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@H](OC(C)=O)OCC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000031500787 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000031871652 HE Annotated Anodyne CC(=O)NC[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000031871654 HE Annotated Anodyne CC(=O)NC[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000031871656 HE Annotated Anodyne CC(=O)NC[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H]2N=C(c3ccccc3)O[C@@H]12 ZINC000031871657 HE Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872501 HE Annotated Bother CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872503 HE Annotated Bother CC1(C)OC[C@@H]([C@H]2O[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 ZINC000031872505 HE Annotated Bother CC1(C)O[C@@H]2[C@@H](O1)[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H]2[C@H]1COC(C)(C)O1 ZINC000031872507 HE Annotated Bother C=CCN(c1cc(OC)c2c(c1[N+](=O)[O-])[C@](C)(SC)C(=O)N2)S(C)(=O)=O ZINC000031897166 HE Annotated Mild CCOC(=O)[C@@H]1ON2O[C@H](O[C@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000031900163 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000031900167 HE Annotated Anodyne O=C1N=c2ccccc2=C1NN1C(=O)/C(=C/c2ccccc2S)N=C1c1ccccc1 ZINC000031905498 HE Annotated Anodyne O=C(/C=c1\oc(=O)/c(=C/C(=O)c2ccc(Cl)cc2)oc1=O)c1ccc(Cl)cc1 ZINC000031909142 HE Annotated Anodyne O=C(CBr)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1 ZINC000032063301 HE Annotated Unstable in-vivo CC1=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O ZINC000032296285 HE Annotated Anodyne C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3C(=O)C[C@@]21C ZINC000032298717 HE Annotated Reactive N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccco1 ZINC000032665435 HE Annotated Mild N/C(S)=N\N=C/c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000033379591 HE Annotated Mild CCOc1ccc(/C=N\NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000033399029 HE Annotated Reactive CCOc1ccc(/C=N\NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1 ZINC000033399030 HE Annotated Reactive Cc1ccc(SCc2c(C(=O)N/N=C\c3ccoc3)nnn2-c2nonc2N)cc1 ZINC000033603887 HE Annotated Reactive O=C1CCCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000033626852 HE Annotated Anodyne O=C1CCCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NCCO1 ZINC000033626853 HE Annotated Anodyne C[C@H]1COC(=O)CCC/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000033633900 HE Annotated Anodyne C[C@H]1COC(=O)CCC/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000033633902 HE Annotated Anodyne CC(=O)O[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 ZINC000033698533 HE Annotated Mild in-man CC(=O)O[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 ZINC000033698535 HE Annotated Mild in-man CC(=O)O[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 ZINC000033698537 HE Annotated Mild in-man CC(=O)O[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 ZINC000033698539 HE Annotated Mild in-man CCOc1ccc(S(=O)(=O)N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)cc1 ZINC000033707280 HE Annotated Mild CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@H](O)C[C@H]3[C@@](C)(C=O)[C@@H](O)CC[C@]23C)[C@H]1C ZINC000033833083 HE Annotated Mild in-vitro biogenic CC[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@H]2C(=O)C[C@@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@H]1C2=O ZINC000033834124 HE Annotated Anodyne in-vitro biogenic CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C ZINC000033943504 HE Annotated Anodyne CC[C@@H]1[C@@H]2CCCCN(C2=O)[C@H]([C@@H]2C[C@H](C)C(=O)O2)CC(=O)[C@@H]2[C@H](C)C(=O)O[C@@H]12 ZINC000033949476 HE Annotated Anodyne COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@@]3(C)[C@H](O)C/C=C(\C)CO)C1=O ZINC000033954313 HE Annotated Mild in-vitro COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@@H](C)[C@]3(C)[C@H](O)C/C=C(\C)CO)C1=O ZINC000033954315 HE Annotated Mild in-vitro C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@H]1C(=O)N[C@]2(O)CCO[C@H]12)C(=O)OC ZINC000033955269 HE Annotated Mild Cc1nc(N2CCOCC2)c2nc(-c3ccccc3)n(CCCN3CCOCC3)c2n1 ZINC000034121910 HE Annotated Anodyne CCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000034145541 HE Annotated Anodyne CC(C)CO/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 ZINC000034148676 HE Annotated Mild CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C/[C@@H](OC)[C@H](C)COC(=O)CCC[C@H]1C ZINC000034149160 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@H](O)[C@]2(CO2)[C@]2(C)[C@@H](O)C[C@@H](C)[C@](C)(C[C@H](O)c3ccoc3)[C@@H]12 ZINC000034167839 HE Annotated Anodyne CC(C)=CCc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168912 HE Annotated Anodyne CC1(C)[C@H](O)C[C@H](O)[C@@]2(C)[C@@H]1CC(=O)[C@@]1(C)C3=CC(=O)O[C@@H](C(=O)O)[C@]3(C)CC[C@H]21 ZINC000034171101 HE Annotated Anodyne in-vitro CC1(C)[C@@H]2CC(=O)[C@@]3(C)C4=CC(=O)O[C@@H](C(=O)O)[C@]4(C)CC[C@@H]3[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000034171103 HE Annotated Anodyne in-vitro CC1(C)[C@H](O)C[C@H](O)[C@]2(C)[C@@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4C(=O)O)[C@]3(C)C(=O)C[C@H]12 ZINC000034171105 HE Annotated Anodyne in-vitro CC1(C)[C@@H]2CC(=O)[C@@]3(C)C4=CC(=O)O[C@@H](C(=O)O)[C@]4(C)CC[C@H]3[C@@]2(C)[C@@H](O)C[C@H]1O ZINC000034171107 HE Annotated Anodyne in-vitro COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000034239400 HE Annotated Anodyne C[C@H]1COc2c(N3C[C@H](CNC4CC4)[C@@H](F)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000034323693 HE Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)OC)CC[C@H](O)[C@@](C)(C(=O)OC)[C@H]1[C@@H]3C(=O)OC ZINC000034329098 HE Annotated Mild COc1cccc(/C=C/[C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1COC(C)=O ZINC000034585031 HE Annotated Anodyne COc1c(N2CC3(CC3)[C@@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000034603728 HE Annotated Anodyne COc1c(N2CC3(CC3)[C@](C)(N)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000034603729 HE Annotated Anodyne COC[C@H]1CC[C@@H]2C1=C[C@]1(C)C(=C([C@H](C)COC(C)=O)C[C@@H]1O)[C@@H](O)[C@H](O)[C@@H]2C ZINC000034636075 HE Annotated Anodyne COC(=O)[C@@H]1[C@@H](/C(=C\C=C\C(C)(C)O)COC(C)=O)CC[C@@]2(C)C[C@]1(O)CC[C@H]2O ZINC000034642353 HE Annotated Anodyne Cn1c2cc(N3CCN(c4ccccn4)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000034661433 HE Annotated Bother C/C(=C\COc1ccc(/C=C2\NC(=O)[C@H](C)N(O)C2=O)cc1)CC[C@H](O)C(C)(C)O ZINC000034783717 HE Annotated Anodyne CC(C)c1cc(Cc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)n[nH]c1=O ZINC000034842520 HE Annotated Anodyne Cc1ccc(CN2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)cc1 ZINC000034870520 HE Annotated Anodyne Cc1ccc(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)c(Br)[n+]1[O-] ZINC000034892876 HE Annotated Clean CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)ncn3C)nc1 ZINC000034949965 HE Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCN3C)nc1 ZINC000034950170 HE Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(Cl)c2Cl)[nH]c1=O ZINC000034986212 HE 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@@H](O)[C@H]3O[C@]132 ZINC000034986960 HE Annotated Anodyne CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(N)=O)CC1 ZINC000034987866 HE Annotated Anodyne O=C(NCCc1ccccc1)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 ZINC000003582942 HE Annotated Anodyne Cc1nc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4cccc(F)c34)CC2)cs1 ZINC000003591258 HE Annotated Anodyne COc1ccc(F)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12 ZINC000003591427 HE Annotated Anodyne CC(=O)Oc1ccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c2c1 ZINC000003591483 HE Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000003591486 HE Annotated Bother CC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ncccc3NC(C)C)CC2)nc1 ZINC000003592323 HE Annotated Anodyne NC(=O)CN(C(=O)c1ccccc1)C1(C(=O)Nc2ccc3c(c2)OCCO3)CCCC1 ZINC000003615046 HE Annotated Anodyne COc1ccc(OC)c(NC(=O)CNC(=O)Cn2c(C)cc3ccccc3c2=O)c1 ZINC000003620328 HE Annotated Anodyne CC(C)C(=O)Nc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000003626343 HE Annotated Anodyne COc1ccc([C@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657855 HE Annotated Anodyne COc1ccc([C@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657856 HE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657857 HE Annotated Anodyne COc1ccc([C@@H]2[C@H](C(=O)N3CCC(C(N)=O)CC3)c3ccccc3C(=O)N2C)cc1 ZINC000003657858 HE Annotated Anodyne CC(=O)c1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccnc4C3=O)CC2)cc1 ZINC000003660513 HE Annotated Anodyne CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CF)C5)c1c4n23 ZINC000003775611 HE Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc12 ZINC000003776006 HE Annotated Anodyne O=C(O)COC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC000003779446 HE Annotated Anodyne O=C(O)COCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3COc4ccccc4O3)[C@H]2C1 ZINC000003779451 HE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1 ZINC000003782309 HE Annotated Anodyne CNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)C1 ZINC000003782327 HE Annotated Anodyne C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCN1C ZINC000003782331 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C(N)=O)c4oc5ccccc5c4c3)C[C@H]12 ZINC000003786212 HE Annotated Anodyne COc1ccc(C(=O)NC(=S)NCCOCCN(C)Cc2ccccc2)cc1 ZINC000003787615 HE Annotated Anodyne N[C@@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000003802537 HE Annotated Anodyne C#CCNc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000003807485 HE Annotated Mild COc1ccc(-c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000003812681 HE Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCC[C@H](C(N)=O)C3)c21 ZINC000003814471 HE Annotated Bother Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)N(CCC(C)C)CC(=O)NO)sc1C ZINC000003817712 HE Annotated Anodyne COc1c(N2CC[C@@H](C3(N)CC3)C2)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000003817713 HE Annotated Anodyne C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(cccc3[nH]c1=O)O2 ZINC000003820290 HE Annotated Anodyne in-vivo CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 ZINC000003824141 HE Annotated Anodyne in-vivo Cc1c(N2CC[C@@H]([C@H](C)N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000003826801 HE Annotated Anodyne C/C(=C(\CCO)SSC[C@@H]1CCCO1)N(CO)Cc1cnc(C)nc1N ZINC000003830880 HE Annotated Reactive C/C(=C(\CCO)SSC[C@H]1CCCO1)N(CO)Cc1cnc(C)nc1N ZINC000003830881 HE Annotated Reactive Nc1nc2c(nc(Br)n2[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000003842942 HE Annotated Bother CCO[C@@H]1CC(=O)O[C@H](c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OCC ZINC000003916086 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)Cc3ccccc3)S[C@H]12 ZINC000003927511 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N(C)c3ccccc3)S[C@H]12 ZINC000003927521 HE Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc3[nH]cc(/C(C)=N/NC(=N)N)c3c2)cc1 ZINC000003928139 HE Annotated Mild COc1cc2c(c(O)c1O)[C@]1(C)Oc3c(O)c(OC)cc(C=O)c3[C@@](C)(O1)C2=O ZINC000003933352 HE Annotated Clean in-vitro COc1cc2c(c(O)c1O)[C@]1(C)Oc3c(O)c(OC)cc(CO)c3[C@@](C)(O1)C2=O ZINC000003933353 HE Annotated Clean in-vitro COc1c(N2C[C@@H](N)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000003955213 HE Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccc4nonc34)C2)C1 ZINC000003958416 HE Annotated Anodyne Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O ZINC000003959138 HE Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C(=N)N)c4oc5ccccc5c4c3)C[C@H]12 ZINC000003981913 HE Annotated Anodyne C=CC[C@@]1(O)/C(=C2/C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc32)Nc2ccccc21 ZINC000003988255 HE Annotated Mild COc1ccc(-c2cc3c(OC)cc(OC)cc3n(CCc3nnn[nH]3)c2=O)cc1 ZINC000003993545 HE Annotated Anodyne CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@H]1COc1ccc(C#N)cn1 ZINC000035049140 HE Annotated Mild CC1(C)C(=O)N(C2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C[C@@H]1COc1ccc(C#N)cn1 ZINC000035049141 HE Annotated Mild O=P(O)(O)C(Cc1ccc(Br)c(Br)c1)P(=O)(O)O ZINC000035049960 HE Annotated Anodyne Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C[C@@H](C)O ZINC000035075795 HE Annotated Bother Cc1nc(CS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])n1C[C@H](C)O ZINC000035075796 HE Annotated Bother NC(N)=N/N=C/c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc2n1CCS2 ZINC000035086130 HE Annotated Mild C[C@@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000035087398 HE Annotated Anodyne C[C@H](C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)N1CCc2ccc3c(c2CC1)OCO3 ZINC000035087400 HE Annotated Anodyne CCOC(=O)c1c(C)nn2c(=O)n(-c3ccc(Cl)cc3C(F)(F)F)nnc12 ZINC000035245068 HE Annotated Anodyne CCOC(=O)c1c(C)nn2c(=O)n(-c3cc(C(F)(F)F)ccc3Cl)nnc12 ZINC000035245070 HE Annotated Anodyne CCOC(=O)c1c(C(F)(F)F)nn2c(=O)n(-c3ccc(C(F)(F)F)cc3)nnc12 ZINC000035245085 HE Annotated Anodyne CCOC(=O)c1c(C)nn2c(=O)n(-c3ccc(Cl)c(C(F)(F)F)c3)nnc12 ZINC000035245091 HE Annotated Anodyne COC1=C/C(=C/NNC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)C=CC1=O ZINC000035443560 HE Annotated Reactive C=C1[C@@H]2CN(CCO[P@@](=O)(O)OC[C@H](O)CO)C[C@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C ZINC000035457387 HE Annotated Mild CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CO)cn1 ZINC000035932906 HE Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@@H]([C@H]32)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000035983704 HE Annotated Anodyne CC(C)(C)OC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000035983956 HE Annotated Clean CCOC(=O)[C@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@H](N)[C@H]1C(=O)OCC ZINC000036161287 HE Annotated Mild CCOC(=O)[C@H](C#N)[C@H]1c2cc(Br)ccc2O[C@H](N)[C@H]1C(=O)OCC ZINC000036161292 HE Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(O)c(O)c3)CC2)cc1 ZINC000036227753 HE Annotated Clean CC(=O)O[C@@H]1C[C@@]2(CO2)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13 ZINC000036378643 HE Annotated Anodyne CCN1C(NCCN2CCOCC2)=N[C@@H](CCc2ccccc2)C(C(=O)OC)=C1C ZINC000036379146 HE Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccc(S(C)(=O)=O)cc3)c12 ZINC000036380195 HE Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3ccccc3S(C)(=O)=O)c12 ZINC000036380207 HE Annotated Anodyne Cn1nnnc1Sc1ncnc2scc(-c3cccc(S(C)(=O)=O)c3)c12 ZINC000036380208 HE Annotated Anodyne Nc1ccc(-c2cccc(-c3nn4c(=O)cc(N5CCNCC5)nc4s3)c2)cc1 ZINC000036380753 HE Annotated Anodyne Cc1noc(C)c1-c1cccc(-c2nn3c(=O)cc(N4CCNCC4)nc3s2)c1 ZINC000036380850 HE Annotated Anodyne COC(=O)c1c(C(=O)OC)c2c3cc(OC)c(OC)cc3ccn2c1C(=O)OC ZINC000036381611 HE Annotated Anodyne NC(=O)CCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc([N+](=O)[O-])cc2[n+]1[O-] ZINC000036383478 HE Annotated Bother CCCCNC(=O)c1onc(CS(=O)(=O)c2ccccn2)c1C(=O)NCCCC ZINC000036384169 HE Annotated Anodyne C=CCNC(=O)c1onc(CS(=O)(=O)c2cc(C)cc(C)c2)c1C(=O)NCC=C ZINC000036384195 HE Annotated Mild Cc1ccc(CN2CCN(Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)cc1 ZINC000036385657 HE Annotated Anodyne CCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 ZINC000036386478 HE Annotated Anodyne CCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCN23)cc1 ZINC000036386486 HE Annotated Anodyne CC[C@@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1OC ZINC000036386531 HE Annotated Anodyne CC[C@H](C)Sc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1OC ZINC000036386532 HE Annotated Anodyne CCCSc1ccc([C@H]2N[C@@](C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1OC ZINC000036386552 HE Annotated Anodyne CC(C)(C)OC(=O)NCCCCCNC(=O)c1[nH]cnc1C(=O)Nc1ccon1 ZINC000036387778 HE Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)NCc2ccccc2)CC1 ZINC000036388210 HE Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036388505 HE Annotated Anodyne COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCOCC1 ZINC000036388533 HE Annotated Anodyne COCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc(OC)c(OC)c1)C2 ZINC000036388534 HE Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000036389026 HE Annotated Anodyne O=C(Cn1cnc2c(NC(=O)OCc3ccccc3)ncnc21)NCc1ccccn1 ZINC000036389492 HE Annotated Anodyne NC[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000036401962 HE Annotated Anodyne NC[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 ZINC000036401963 HE Annotated Anodyne N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(O)cc1 ZINC000036402311 HE Annotated Anodyne C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@H]1[C@H](O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000036443613 HE Annotated Mild in-man biogenic C=C([C@H]1[C@H](O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O)[C@@H](CC=C(C)C)OC(=O)/C(C)=C\C ZINC000036443614 HE Annotated Mild in-man C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C/[S@](C)=O)[C@@H]1[C@H]2OC(C)=O ZINC000036444452 HE Annotated Mild Cc1ccc(C(N)=O)cc1Nc1nc(N[C@H]2CCNC2)nc(N(C)CC(C)(C)C)n1 ZINC000036761664 HE Annotated Anodyne CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl ZINC000037539141 HE Annotated Reactive Cn1cc(O)nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000037868727 HE Annotated Anodyne [N-]=[N+]=NCC1=C(C(=O)O)N2C(=O)[C@@H](N=c3ccn(Cc4ccccc4)cc3)[C@H]2SC1 ZINC000377591697 HE Annotated Clean CN(c1cccc(C(=O)O)c1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377797336 HE Annotated Bother CC(=O)Nc1ccc(Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000377803800 HE Annotated Bother CCN(C(=O)c1ccccc1)c1cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000377803809 HE Annotated Bother O=C(O)C1=C(Cl)CS[C@@H]2[C@H](N=c3ccn(Cc4ccccc4)cc3)C(=O)N12 ZINC000377807257 HE Annotated Anodyne N#Cc1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])[n+](=O)c2ccc(Cl)cc2n1O ZINC000377810674 HE Annotated Mild N#Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n+](=O)c2ccc(Cl)cc2n1O ZINC000377810677 HE Annotated Mild N#Cc1c(N)[n+](=O)c2ccc(CN3CCN(C/C=C/c4ccccc4)CC3)cc2n1O ZINC000377819895 HE Annotated Mild COc1ccc(N(C)c2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000377823289 HE Annotated Bother O=[n+]1[nH]c2c(I)cnn2c2cc(OCc3ccncc3)ccc21 ZINC000377830188 HE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3cccnc3)ccc21 ZINC000377845407 HE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3ccccn3)ccc21 ZINC000377845677 HE Annotated Anodyne O=[n+]1[nH]c2c(I)cnn2c2cc(NCc3ccncc3)ccc21 ZINC000377845679 HE Annotated Anodyne N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+](=O)c2cc(C(F)(F)F)ccc2n1O ZINC000377845809 HE Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+](=O)c2ccc(C(F)(F)F)cc2n1O ZINC000377845820 HE Annotated Mild Cc1ccc(S(=O)(=O)N[N+](=O)c2c(N)nc(N)nc2OCC2CCCCC2)cc1 ZINC000377848809 HE Annotated Anodyne CN(C)/[N+]([O-])=N\Oc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000038141991 HE Annotated Reactive CCn1c(=CC2=[N+](CC)CCS2)s/c(=C2/Sc3ccccc3N2C)c1=O ZINC000038146412 HE Annotated Anodyne CC(C)O[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155293 HE Annotated Clean CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155295 HE Annotated Clean CC(C)O[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000038155296 HE Annotated Clean O=C1C=C/C(=C\NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(O)=C1 ZINC000038161164 HE Annotated Reactive O=C1C=CC(=CNNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C=C1 ZINC000038180793 HE Annotated Reactive Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2)c1-c1ccccc1 ZINC000038187354 HE Annotated Reactive O=C1C[C@@H]2S[C@@H]3C[C@@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000038209943 HE Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)OC(C)=O)C=C[C@@]31CCNC2 ZINC000038215720 HE Annotated Anodyne COC(=O)[C@H]1C2=CC[C@@H](O)[C@@](C)(CC[C@@H]1/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)C2 ZINC000038239622 HE Annotated Anodyne COC(=O)[C@H]1C2=CC[C@@H](O)[C@@](C)(CC[C@@H]1/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)C2 ZINC000038239623 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C=O)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000038299526 HE Annotated Anodyne C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 ZINC000038427602 HE Annotated Anodyne C[C@H]1COc2c(N3C[C@@H](F)[C@@H](CNC4CC4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000038480064 HE Annotated Anodyne COc1cccc2c1[C@H](c1ccc3c(c1O)C(=O)[C@@H](O)[C@@H](C)[C@H]3OC(C)=O)OC2=O ZINC000038498353 HE Annotated Anodyne CN1C(=O)N=C(Nc2nc(Cc3ccc(O)cc3)cn2Cc2ccc(O)cc2)C1=O ZINC000038628220 HE Annotated Anodyne Nc1ccc([C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)C[C@H]2N)cc1 ZINC000038653257 HE Annotated Anodyne O=c1c(O)c(CN2CCN(c3ccc(Cl)nn3)CC2)ccn1Cc1ccccc1 ZINC000038737106 HE Annotated Anodyne CN(C)/N=C/c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000038801634 HE Annotated Mild CO/N=C/c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000038801637 HE Annotated Mild CN(CC[S@@](=O)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000038897350 HE Annotated Anodyne CN(CC[S@](=O)c1ccccc1)C[C@H](O)COc1ccc2[nH]c(=O)ccc2c1 ZINC000038897351 HE Annotated Anodyne N[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 ZINC000038898640 HE Annotated Anodyne COC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)C/C=C(/C)CO)C1=O ZINC000038938518 HE Annotated Mild CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O ZINC000038967511 HE Annotated Reactive C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C=C\[S@](C)=O)[C@@H]1[C@H]2OC(C)=O ZINC000039012885 HE Annotated Mild CC1=C2C[C@@]3(C)C[C@H](O)[C@](C)(C[C@H](O)[C@H](O)[C@@](C)(O)CO)[C@H]3c3ccc(C)c(c32)C1 ZINC000039033546 HE Annotated Anodyne COC(=O)[C@@]1(C)CC[C@@H](O)[C@H]2C3=C(C)C(=O)O[C@H](c4ccoc4)[C@H]3[C@@H](OC(C)=O)[C@@H]21 ZINC000039033602 HE 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\[S@](C)=O ZINC000039033886 HE Annotated Mild CC[C@@H](O)C[C@@H]1CC[C@@H](O)[C@@H](C)C(=O)O[C@@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000039162688 HE Annotated Anodyne C=C[C@]1(C)C(Cl)=C[C@H]2C(=O)[C@]1(NC=O)c1cccc3c1[C@](O)(C(=O)N3C)C2(C)C ZINC000039181286 HE Annotated Mild CCN1c2c(F)ccc(F)c2C(N)=NC12CCN(C(=O)C1=CN=C(C#N)CC1)CC2 ZINC000039187980 HE Annotated Mild in-vivo O=C(O)c1cc(=O)c2c(C(F)(F)F)c3c(=O)cc(C(=O)O)[nH]c3c(Cl)c2[nH]1 ZINC000039221300 HE Annotated Bother Cc1nc([C@@H](C)NC(=O)Cn2nnnc2CN2CCc3ccccc3C2)c(C)s1 ZINC000039394775 HE Annotated Anodyne Cc1nc([C@H](C)NC(=O)Cn2nnnc2CN2CCc3ccccc3C2)c(C)s1 ZINC000039394778 HE Annotated Anodyne CCOc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4F)CC3)[nH]c2=O)cc1 ZINC000004033662 HE Annotated Anodyne Cn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21 ZINC000004035549 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041142 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCOCCO)cc1 ZINC000004041144 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041145 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@H]2C(=O)NCCOCCO)cc1 ZINC000004041155 HE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004045454 HE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004045456 HE Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004045457 HE Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)C1 ZINC000004045458 HE Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000004048737 HE Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2ccc3[nH]c(=O)c(CCSC)nc3n2)C1 ZINC000004048738 HE Annotated Anodyne N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049613 HE Annotated Mild N#CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049614 HE Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049615 HE Annotated Mild N#CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004049616 HE Annotated Mild O=C(NCc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000004057654 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@@H]13)O2 ZINC000004057655 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077279 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077288 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077299 HE Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000004077311 HE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3CCCO3)c21 ZINC000004078094 HE Annotated Anodyne CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3CCCO3)c21 ZINC000004078095 HE Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)c2cn(CC)c(=O)c3cc(OC)c(OC)cc23)C1 ZINC000004078986 HE Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)c2cn(CC)c(=O)c3cc(OC)c(OC)cc23)C1 ZINC000004078987 HE Annotated Anodyne CSCC[C@H](N)C(=O)NCC1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000004084164 HE Annotated Anodyne CC(=O)O[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 ZINC000004097881 HE Annotated Mild in-vitro C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 ZINC000004098130 HE Annotated Anodyne in-vitro Cc1oc(-c2ccccc2F)nc1C[S@@](=O)CC(=O)N1CCC2(CC1)OCCO2 ZINC000004100963 HE Annotated Anodyne Cc1oc(-c2ccccc2F)nc1C[S@](=O)CC(=O)N1CCC2(CC1)OCCO2 ZINC000004100964 HE Annotated Anodyne O=C(NCCCN1CCCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000004129044 HE Annotated Anodyne CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCCN(C)C)cc2c1 ZINC000004133443 HE Annotated Anodyne Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)NCCCN(C)C)c(=O)[nH]c2c1 ZINC000004133533 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152456 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCN1CCOCC1 ZINC000004152457 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO ZINC000004152529 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCOCCO ZINC000004152530 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCOCCO ZINC000004152531 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCOCCO ZINC000004152532 HE Annotated Anodyne NC(=O)C1CCN(C(=O)c2cccn3c(=O)c4c5c(sc4nc23)CCCC5)CC1 ZINC000004176401 HE Annotated Anodyne O=C(CCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004192370 HE Annotated Anodyne O=C(CCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004192373 HE Annotated Anodyne O=C(CCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000004192376 HE Annotated Anodyne O=C(CCCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)N1CCN(c2ccccc2F)CC1 ZINC000004192377 HE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004192395 HE Annotated Anodyne O=C(CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004192397 HE Annotated Anodyne O=C(NCc1ccccc1)c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 ZINC000004193204 HE Annotated Mild O=C(NCc1ccccc1)c1ccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1 ZINC000004193205 HE Annotated Mild O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000004206434 HE Annotated Anodyne O=C(NCCN1CCOCC1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000004206435 HE Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO ZINC000004212859 HE Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCO ZINC000004212862 HE Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO ZINC000004212864 HE Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCO ZINC000004212868 HE Annotated Bother O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 ZINC000004238207 HE Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(CCC#N)c3n2)CC1 ZINC000004238391 HE Annotated Mild COc1ccc(-n2c(=O)c(-c3cccs3)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238423 HE Annotated Anodyne O=c1c(-c2ccccc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238479 HE Annotated Anodyne O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1 ZINC000004238696 HE Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 ZINC000004238967 HE Annotated Anodyne O=c1c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1 ZINC000004239027 HE Annotated Anodyne Cn1cc(-c2nc3cnc(N4CCOCC4)nc3n(CCC#N)c2=O)c2ccccc21 ZINC000004239173 HE Annotated Mild CCCC[C@H](Sc1nc(N)c(NC(=O)c2ccc(OC)cc2)c(=O)[nH]1)C(=O)O ZINC000004248902 HE Annotated Anodyne CCCC[C@@H](Sc1nc(N)c(NC(=O)c2ccc(OC)cc2)c(=O)[nH]1)C(=O)O ZINC000004248903 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCO ZINC000004296856 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCO ZINC000004296857 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCO ZINC000004296858 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCO ZINC000004296859 HE Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(OCC(N)=O)cc1)N(C(=O)c1cccnc1)C1CC1 ZINC000004399703 HE Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(OCC(N)=O)cc1)N(C(=O)c1cccnc1)C1CC1 ZINC000004399704 HE Annotated Anodyne Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)c(C)c1 ZINC000004399866 HE Annotated Anodyne Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)c(C)c1 ZINC000004399867 HE Annotated Anodyne Cc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)c(C)c1 ZINC000004399869 HE Annotated Anodyne Cc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)c(C)c1 ZINC000004399870 HE Annotated Anodyne COCCN(Cc1cc2cc3c(cc2n2nnnc12)OCO3)C(=O)c1ccccc1F ZINC000004411600 HE Annotated Anodyne O=C(CSc1nc2ccc(F)cc2c2c1CCCC2)Nc1c[nH]c(=O)[nH]c1=O ZINC000040011789 HE Annotated Anodyne O=C(NCCCO)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040379000 HE Annotated Anodyne CCCCSc1nc(N)c2nc(O)c(=O)n(Cc3cc(OC)cc(OC)c3)c2n1 ZINC000040379836 HE Annotated Anodyne CC(C)c1ccc(CCN(CC(=O)O)S(=O)(=O)c2cc(C(=N)N)ccc2O)cc1 ZINC000040380071 HE Annotated Anodyne O=C1CN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1 ZINC000040380350 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@]13O[C@@H]3[C@H](O)[C@@H]2c1ccc(=O)oc1 ZINC000040391707 HE Annotated Anodyne CC(C)c1nnc2c(C(=O)N3CCCC3)c(N3CCN(C)CC3)c3cccnc3n12 ZINC000040392831 HE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2CC#Cc3ccc([N+](=O)[O-])cc3C#CCC2)cc1 ZINC000040393142 HE Annotated Mild CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3OCCN3CCOCC3)nc12 ZINC000040395257 HE Annotated Anodyne COCCN(CCOC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 ZINC000040403125 HE Annotated Anodyne O=C(/C=C/c1ccccn1)c1ccc(CN2CCOCC2)c(O)c1CN1CCOCC1 ZINC000040405868 HE Annotated Mild O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040411255 HE Annotated Bother O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 ZINC000040411257 HE Annotated Bother N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4F)C(=O)[C@H]3[C@H]3CCCN23)cc1 ZINC000040411584 HE Annotated Anodyne COCCOc1nc(N)c2nc(S)n(Cc3cccc(C[P@](C)(=O)O)c3)c2n1 ZINC000040412700 HE Annotated Anodyne CCOC(=O)C#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(CC)CC)O2)nn1 ZINC000040413699 HE Annotated Mild Cc1c(-n2nnc3[nH]nc(Nc4ccccc4)c3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000040413976 HE Annotated Anodyne CN(C)CCCn1c2c(c(=O)n(CCCN(C)C)c1=O)Nc1ccccc1S2 ZINC000040420504 HE Annotated Anodyne C=C(C)[C@H](O)C/C=C(/COC(C)=O)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@H]2O)[C@@H]1C(=O)OC ZINC000040420555 HE Annotated Mild C=C(C)[C@@H](O)C/C=C(/COC(C)=O)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@H]2O)[C@@H]1C(=O)OC ZINC000040420557 HE Annotated Mild COC[C@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000040420899 HE Annotated Bother COc1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040421212 HE Annotated Mild COc1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040421214 HE Annotated Mild CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCO)cc2)nc1 ZINC000040421722 HE Annotated Anodyne O=C(CN1CCN(c2ccc(CO)c(Br)c2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000040422920 HE Annotated Bother CN(C)c1ccc(N2C(=O)[C@@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423100 HE Annotated Mild CN(C)c1ccc(N2C(=O)[C@]3(CSC4=C3C(=O)c3ncccc3C4=O)N=C2O)cc1 ZINC000040423101 HE Annotated Mild O/N=C/c1ccc[n+](COCc2cccc(COC[n+]3cccc(/C=N/O)c3)c2)c1 ZINC000040423441 HE Annotated Mild CCOC(=O)c1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1 ZINC000040423727 HE Annotated Anodyne CC(=O)Nc1cc(-c2cccc(N3CCN(C)CC3)n2)nc(-n2nc(C)cc2C)n1 ZINC000040423793 HE Annotated Anodyne COCCCn1c(NC(=O)c2ccc(C#N)cc2)nc2cc(CNCCOC)ccc21 ZINC000040423808 HE Annotated Mild C[C@H](C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040424164 HE Annotated Anodyne C[C@@H](C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040424165 HE Annotated Anodyne C[C@H](C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040424166 HE Annotated Anodyne C[C@@H](C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1ccc(C(=O)c2cccs2)cc1 ZINC000040424167 HE Annotated Anodyne CC[C@@H](OC(C)=O)[C@@H]1C[C@@H]2OC(=O)c3c(cc(OC)c(OC)c3OC(C)=O)[C@@H]2O1 ZINC000040425363 HE Annotated Anodyne C[C@@H](C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000040425411 HE Annotated Anodyne C[C@H](C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000040425413 HE Annotated Anodyne C[C@@H](C(=O)OC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])c1cccc(C(=O)c2ccccc2)c1 ZINC000040425415 HE Annotated Anodyne CNC(=S)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000040429512 HE Annotated Anodyne Oc1cc(OCCCCCOc2ccc(C3=NCCN3)c(O)c2)ccc1C1=NCCN1 ZINC000040429694 HE Annotated Anodyne COc1cc(C(=O)O)cc(OC)c1-c1ccc(/C=C2/C(=O)NC(=S)N=C2O)o1 ZINC000040430203 HE Annotated Clean CC(=O)Oc1cccc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000040430302 HE Annotated Anodyne COc1cc2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c2cc1OC ZINC000040430568 HE Annotated Anodyne O=C(O)COC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@H]3COc4ccccc4O3)[C@H](O)C[C@H]2C1 ZINC000040440096 HE Annotated Anodyne CCN(CC)c1nc(NCCNC(=O)c2cc(O)c(O)c(O)c2)c2ccccc2n1 ZINC000040465521 HE Annotated Clean C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CCc4ccccc4)C3)[C@H](C)[C@H]12 ZINC000040465709 HE Annotated Anodyne C/C=C/c1ccc(OCC(=O)NCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 ZINC000040466943 HE Annotated Anodyne NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccco1 ZINC000040492167 HE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496595 HE Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496597 HE Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@]21OCO[C@]12COCO2 ZINC000040496599 HE Annotated Anodyne CCOc1c(N2CC[C@@](C)(CN)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000040503633 HE Annotated Anodyne CCOc1c(N2CC[C@](C)(CN)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000040503636 HE Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@]21CO1 ZINC000040510653 HE Annotated Mild CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@H]3C=C(C)CC[C@]3(C=O)[C@]1(C)[C@]21CO1 ZINC000040510654 HE Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O[C@@H]3CCCCO3)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000040510684 HE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(/C#N)n3nnc4ccccc43)cc2)C(=O)O1 ZINC000040527551 HE Annotated Reactive COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N4CCOCC4)ccc32)cc2c1OCO2 ZINC000040547923 HE Annotated Reactive COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N4CCOCC4)ccc32)cc2c1OCO2 ZINC000040547926 HE Annotated Reactive COc1ccc2cc([C@H](C)C(=O)N3[C@@H](O)CC[C@H]3C(=O)NCCS)ccc2c1 ZINC000040556592 HE Annotated Mild CCOc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCNCC2)c1 ZINC000040563840 HE Annotated Clean COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCN(C)CC2)c1 ZINC000040564573 HE Annotated Clean CC(C)(C)OC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040566920 HE Annotated Clean O=C1[C@@H]2C=CC=C3C=CC=C([C@@H]32)N1CCNCCN1C(=O)C2=CC=CC3=CC=C[C@@H]1[C@H]32 ZINC000040602150 HE Annotated Anodyne CN1CCN(C(=O)ONC(=O)/C=C/c2ccccc2OC(=O)c2ccccc2)CC1 ZINC000040614029 HE Annotated Mild O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NN1CCN(CCO)CC1 ZINC000040639843 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@@H]4C[C@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 ZINC000040641042 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@H]4C[C@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 ZINC000040641045 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@@H]4C[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 ZINC000040641048 HE Annotated Anodyne CCCCc1ccc(Nc2nc(N)c3ccn([C@H]4C[C@@H](CO)[C@H](O)[C@@H]4O)c3n2)cc1 ZINC000040641051 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccsc2)[C@@]2(C)CC[C@@H]1C2 ZINC000040662551 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000040662554 HE Annotated Anodyne COc1ccccc1N(C(=O)c1ccco1)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000040689026 HE Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nc4ccccc4n3)cc2)C(=O)O1 ZINC000040743109 HE Annotated Reactive CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nnc4ccccc43)cc2)C(=O)O1 ZINC000040743268 HE Annotated Reactive CNC(=O)[C@@H](Sc1nnc(-c2c(C)nn(C)c2SC)s1)c1csnn1 ZINC000040753548 HE Annotated Anodyne CNC(=O)[C@H](Sc1nnc(-c2c(C)nn(C)c2SC)s1)c1csnn1 ZINC000040753551 HE Annotated Anodyne COc1cc(C2=C(c3ccc(OCC(=O)O)cc3)[C@H](O)CC2=O)cc(OC)c1OC ZINC000040753748 HE Annotated Mild COc1cc(C2=C(c3ccc(OCC(=O)O)cc3)[C@@H](O)CC2=O)cc(OC)c1OC ZINC000040753751 HE Annotated Mild Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(S(N)(=O)=O)c4)o3)C2=O)cc1 ZINC000040762831 HE Annotated Clean CS(=O)(=O)NC[C@H]1CN(c2ccc(-n3cc4cccnc4c3)c(F)c2)C(=O)O1 ZINC000040763229 HE Annotated Anodyne CC1(C)[C@@H](OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2cccs2)[C@@]2(C)CC[C@@H]1C2 ZINC000040786716 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000040786718 HE Annotated Anodyne CC(C)CCc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000040812623 HE Annotated Anodyne COc1cc(C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)cc(OC)c1OC ZINC000040818306 HE Annotated Anodyne CN(C)C(=O)N(CCCN1CCOCC1)Cc1cc(Br)ccc1O ZINC000040827731 HE Annotated Clean O=C(O)c1cnc2c(c1O)c(=O)n(Cc1ccccc1)c(=O)n2Cc1ccccc1 ZINC000040836476 HE Annotated Anodyne C[C@]12CC[C@H](O)C[C@H]1C[C@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000040847844 HE Annotated Anodyne O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000040848079 HE Annotated Bother O=C1CNCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040849108 HE Annotated Anodyne CS(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040863432 HE Annotated Anodyne CCN(CC)C(=S)SCN1C(=O)CC[C@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000040863899 HE Annotated Anodyne CCN(CC)C(=S)SCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000040863901 HE Annotated Anodyne CC(C)[C@H]1C(=O)/C(=C2\NS(=O)(=O)c3c(O)cccc32)C(=O)N1Cc1ccccc1 ZINC000040864320 HE Annotated Mild CCN(CC)C(=O)c1c(NN2CCN(C)CC2)c2cccnc2n2c(C(C)C)nnc12 ZINC000040866362 HE Annotated Anodyne C[C@]12CC[C@H]3[C@@H]([C@@H](O)C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000040872511 HE Annotated Anodyne CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(F)cc2)S(=O)(=O)N1C ZINC000040875611 HE Annotated Anodyne CCC[C@H]1C(=O)N([C@H](CCC(=O)OC)Sc2ccc(F)cc2)S(=O)(=O)N1C ZINC000040875615 HE Annotated Anodyne CC(C)c1nn(C)c2c(=O)[nH]c(Cc3ccccc3OCCN3CCOCC3)nc12 ZINC000040875756 HE Annotated Anodyne CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3NC(=O)CN3CCCC3)nc12 ZINC000040875758 HE Annotated Anodyne O=C(O)c1cn(C2CC2)c2cc(N3CCC4(CC3)OCCO4)c([N+](=O)[O-])cc2c1=O ZINC000040876038 HE Annotated Bother Cn1c(C(=O)NCCCc2c[nH]c(N)n2)cc(Br)c1Br ZINC000040878380 HE Annotated Anodyne CCO/N=C1\CN(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC12CC2 ZINC000040891520 HE Annotated Mild CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 ZINC000040891524 HE Annotated Anodyne CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CCCC3)O2)nn1 ZINC000040894268 HE Annotated Mild C=C1CC[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(=O)/C(C)=C\C)[C@H]2[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O ZINC000040895793 HE Annotated Mild C=C1CC[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(=O)/C(C)=C/C)[C@H]2[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O ZINC000040895795 HE Annotated Mild Cc1ccc(Cl)c(S(=O)(=O)N[C@@H](CCC(=O)NC(C)C)C(=O)NC(C)C)c1 ZINC000040900490 HE Annotated Anodyne Cc1ccc(Cl)c(S(=O)(=O)N[C@H](CCC(=O)NC(C)C)C(=O)NC(C)C)c1 ZINC000040900493 HE Annotated Anodyne COc1ccc(-n2c(-c3ccccc3)cs/c2=N\C(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1 ZINC000040901221 HE Annotated Anodyne COCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 ZINC000040913364 HE Annotated Anodyne CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3nc(C)sc3C)cc2)CC1 ZINC000040913391 HE Annotated Anodyne O=C(Nc1ccccc1)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O ZINC000040916993 HE Annotated Anodyne O=C(/C=C/c1ccccn1)c1cc(CN2CCOCC2)c(O)c(CN2CCOCC2)c1 ZINC000040918479 HE Annotated Mild COc1cc2c(c(OC)c1OC)[C@]13C=C(O)C(=O)C=C1O[C@H]2[C@H]1C(=O)OC[C@@H]1C3 ZINC000040918838 HE Annotated Mild C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040935254 HE Annotated Mild C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000040935256 HE Annotated Mild Cc1cc(C(=O)N2CCN(C)C(=O)C2)ccc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000040935397 HE Annotated Anodyne COC(=O)[C@@H]1[C@@H](/C(=C\C[C@H](O)C(C)(C)O)COC(C)=O)CC[C@]2(C)[C@@H]3CC[C@]12CO3 ZINC000040936171 HE Annotated Anodyne COC(=O)[C@@H]1[C@@H](/C(=C\C[C@@H](O)C(C)(C)O)COC(C)=O)CC[C@]2(C)[C@@H]3CC[C@]12CO3 ZINC000040936172 HE Annotated Anodyne CCC(=O)OCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1 ZINC000040936249 HE Annotated Mild COC[C@@H](Cn1ccnc1[N+](=O)[O-])OC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000040939002 HE Annotated Bother Nc1nc(=O)[nH]c2nc3[nH]c(=S)[nH]c(=O)c3c(-c3ccc(N4CCCCC4)cc3)c12 ZINC000040940460 HE Annotated Bother C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CC[C@H]2OC(C)=O ZINC000040949786 HE Annotated Mild O/N=C/c1cc[n+](COCc2cccc(COC[n+]3ccc(/C=N/O)cc3)c2)cc1 ZINC000040952453 HE Annotated Mild N#Cc1ccc(F)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12 ZINC000040954646 HE Annotated Mild CC(C)(O)Cn1c(NC(=O)c2ccc(-c3cn[nH]c3)s2)nc2cc(CN)ccc21 ZINC000040973423 HE Annotated Anodyne CNCCn1c(=O)c2cc(OC)c(OC)cc2c2nnc3cc4c(cc3c21)OCO4 ZINC000040977114 HE Annotated Bother COc1ccccc1OCC(=O)NS(=O)(=O)c1ccc(Br)s1 ZINC000042253521 HE Annotated Anodyne CCCCCCCCOC(=O)c1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1 ZINC000042887774 HE Annotated Mild [O-][n+]1nc2c(I)cnn2c2cc(OCc3ccncc3)ccc21 ZINC000042919884 HE Annotated Anodyne ClCCN1CCN(CCCl)CCN(CCCl)CCN(CCCl)CC1 ZINC000042923808 HE Annotated Reactive CCCCCOc1c(/C=N/N=C(N)N)ccc(/C=N/N=C(N)N)c1OCCCCC ZINC000042964814 HE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cccc(Br)c1)C1=C(CCC1=O)N2 ZINC000042988802 HE Annotated Mild Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cccc(Br)c1)C1=C(CCC1=O)N2 ZINC000042988804 HE Annotated Mild CN(C)c1cccc2c(S(=O)(=O)Oc3cc(N)nc(SCCN)n3)cccc12 ZINC000043010375 HE Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@@H]1CC(=O)N1CCNCC1 ZINC000043011064 HE Annotated Anodyne CCOC(=O)C1=C(N)Oc2ccc(-c3ccccc3)cc2[C@H]1CC(=O)N1CCNCC1 ZINC000043011067 HE Annotated Anodyne O=C1/C(=N/OCCF)c2ccncc2N1Cc1nc2ccccc2n1CCCCO ZINC000043011503 HE Annotated Mild N#CCCCn1c(CN2C(=O)/C(=N/OCC(N)=O)c3ccccc32)nc2ccccc21 ZINC000043016789 HE Annotated Mild CCn1cc(-c2nc3ccc(N)cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)nc21 ZINC000043020201 HE Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)Oc3cc(N)nc(SCCO)n3)cccc12 ZINC000043022162 HE Annotated Anodyne COc1ccnc(CN2CC(=O)N(CC(C)C)c3c(Cl)nc(N)nc32)c1OC ZINC000043059873 HE Annotated Anodyne CC(=O)OCCCCn1c(CN2C(=O)/C(=N/O)c3cccnc32)nc2ccccc21 ZINC000043065733 HE Annotated Mild Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)Cc2nnc(S)s2)cc1 ZINC000043066793 HE Annotated Anodyne O=C(NC[C@@H](NS(=O)(=O)c1cccc(Cl)c1Cl)C(=O)O)c1ccsc1 ZINC000043067306 HE Annotated Anodyne COc1ccc(-n2c(Cn3nc(-c4ccc(C)cc4)n(N)c3=O)nnc2SC)cc1 ZINC000043067584 HE Annotated Anodyne C=CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000043072091 HE Annotated Mild [O-][n+]1nc2c(I)cnn2c2cc(OCc3ccco3)ccc21 ZINC000043078120 HE Annotated Anodyne CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(=O)O)CC3)oc(=O)c12 ZINC000043079224 HE Annotated Anodyne O=C1/C(=N/OCCF)c2cccnc2N1Cc1nc2ccccc2n1CCCCO ZINC000043079236 HE Annotated Mild O=C(NCCC1(N2CCOCC2)CCCC1)c1cc2nc(O)c3ccccc3n2n1 ZINC000043079441 HE Annotated Anodyne N#C/N=C(\Nc1ccc2occc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O ZINC000043080124 HE Annotated Mild COCCCn1c(CN2C(=O)/C(=N/OCC(=O)O)c3ccccc32)nc2ccccc21 ZINC000043118607 HE Annotated Mild COc1ccc(Nc2nnc(Cn3nc(-c4ccc(C)cc4)n(N)c3=O)s2)cc1 ZINC000043120513 HE Annotated Anodyne O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(N3CCNCC3)cc21 ZINC000043122584 HE Annotated Anodyne COc1ccc(-n2c(Cn3nc(-c4ccc(C)cc4)n(N)c3=O)n[nH]c2=S)cc1 ZINC000043122938 HE Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@H]2SC(=N)NC2=O)sc(Br)c1C ZINC000043133565 HE Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=N)NC2=O)sc(Br)c1C ZINC000043133568 HE Annotated Anodyne CCCC/C=C/[C@]12C(=O)[C@H]3O[C@H]3[C@H](O)[C@H]1[C@H]1C(=C[C@@H]2CCCC)C(=O)[C@H]2O[C@H]2[C@@H]1O ZINC000043174199 HE Annotated Mild O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1 ZINC000043207366 HE Annotated Reactive C/N=C(\NC)N/N=C/c1c2ccccc2c(/C=N/N/C(=N/C)NC)c2ccccc12 ZINC000043397112 HE Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000043606206 HE Annotated Mild CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@@H]1CC(O)(C3)C2 ZINC000043640874 HE Annotated Reactive O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043800068 HE Annotated Bother OCN(CC(F)(F)F)c1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1 ZINC000043889023 HE Annotated Mild CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000044146309 HE Annotated Reactive CNc1ccc(C(=O)Oc2cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000044265306 HE Annotated Reactive COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000004533583 HE Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCC#N ZINC000004533584 HE Annotated Mild COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000004533585 HE Annotated Mild COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCC#N ZINC000004533586 HE Annotated Mild O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533644 HE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533645 HE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533646 HE Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533647 HE Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533658 HE Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533659 HE Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533660 HE Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004533661 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545964 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545965 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545966 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@H](CO)Cc2ccccc2)N(C(=O)c2ccco2)C1 ZINC000004545967 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000004546224 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004546298 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546502 HE Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546505 HE Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546509 HE Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000004546512 HE Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546598 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546602 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546606 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000004546611 HE Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546870 HE Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546874 HE Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546878 HE Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)c1cnccn1 ZINC000004546882 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547266 HE Annotated Mild CCCCO[C@H]1C[C@H](C(=O)NCCC#N)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547274 HE Annotated Mild CCCCO[C@@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547277 HE Annotated Mild CCCCO[C@H]1C[C@@H](C(=O)NCCC#N)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000004547282 HE Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cnccn2)C1 ZINC000004547618 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cnccn2)C1 ZINC000004547621 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cnccn2)C1 ZINC000004547628 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2cnccn2)C1 ZINC000004547632 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000004547645 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000004547655 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000004547659 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2cnccn2)C1 ZINC000004547671 HE Annotated Anodyne CCCCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000004562707 HE Annotated Anodyne O=C1CC[C@@H](C(=O)N(C[C@@H]2CCCO2)C2(C(=O)NC3CCCC3)CCCCC2)N1 ZINC000004571523 HE Annotated Anodyne O=C1CC[C@@H](C(=O)N(C[C@H]2CCCO2)C2(C(=O)NC3CCCC3)CCCCC2)N1 ZINC000004571527 HE Annotated Anodyne O=C1CC[C@H](C(=O)N(C[C@@H]2CCCO2)C2(C(=O)NC3CCCC3)CCCCC2)N1 ZINC000004571530 HE Annotated Anodyne O=C1CC[C@H](C(=O)N(C[C@H]2CCCO2)C2(C(=O)NC3CCCC3)CCCCC2)N1 ZINC000004571533 HE Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004612079 HE Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004612080 HE Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004612081 HE Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000004612082 HE Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000004612138 HE Annotated Anodyne CCC(=O)CC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O ZINC000004654748 HE Annotated Clean in-vitro CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 ZINC000004687641 HE Annotated Anodyne CN(CCC#N)S(=O)(=O)c1ccc2[nH]cc(/C(O)=N/Cc3ccco3)c(=O)c2c1 ZINC000004687672 HE Annotated Mild CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 ZINC000004758222 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@@H](c1cccs1)N(C)C2=O ZINC000004760106 HE Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)NCCN(C)C)[C@H](c1cccs1)N(C)C2=O ZINC000004760109 HE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@@H](c1cccs1)N(C)C2=O ZINC000004760111 HE Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)NCCN(C)C)[C@H](c1cccs1)N(C)C2=O ZINC000004760114 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)CC2)c1C ZINC000004789963 HE Annotated Anodyne COc1ccc(C/N=C(\O)CCn2c(=O)[nH]c3cc(OC)c(OC)cc3c2=O)cc1 ZINC000004792176 HE Annotated Mild O=S(=O)(c1cccc2nonc12)N1CCC[C@H](/C(O)=N/Cc2cccnc2)C1 ZINC000004794276 HE Annotated Mild O=S(=O)(c1cccc2nonc12)N1CCC[C@@H](/C(O)=N/Cc2cccnc2)C1 ZINC000004794278 HE Annotated Mild COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(C)c(C)c1 ZINC000004848291 HE Annotated Anodyne COCC/N=C(\O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 ZINC000004872459 HE Annotated Mild O=C1N=C(O)C2(C(=O)N1)[C@H](c1ccc(F)cc1)NC(=O)N[C@H]2c1ccc(F)cc1 ZINC000004875900 HE Annotated Anodyne O=C1N=C(O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=O)N[C@@H]2c1ccc(F)cc1 ZINC000004875905 HE Annotated Anodyne CC[C@@H](C)NC(=O)Cn1c(=O)n(-c2cc(OC)cc(OC)c2)c(=O)c2sccc21 ZINC000004882466 HE Annotated Anodyne CC[C@H](C)NC(=O)Cn1c(=O)n(-c2cc(OC)cc(OC)c2)c(=O)c2sccc21 ZINC000004882468 HE Annotated Anodyne CNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(SC)c3)cc2c1=O ZINC000004884837 HE Annotated Anodyne CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CN1C(=O)C(=O)c2ccccc21 ZINC000004894179 HE Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 ZINC000004898801 HE Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(C)cn3)ccc21 ZINC000004905785 HE Annotated Anodyne Cc1nc2c3ccccc3n3c(CCCC(=O)NCc4ccccn4)nnc3n2n1 ZINC000004906212 HE Annotated Bother O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21)NCc1ccco1 ZINC000004906365 HE Annotated Anodyne CCc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)cc1 ZINC000004906450 HE Annotated Anodyne CCc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@H]2OCCc3ccccc32)cc1 ZINC000004906464 HE Annotated Anodyne CCc1ccc(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000004906482 HE Annotated Anodyne CCc1ccc(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2OCCc3ccccc32)cc1 ZINC000004906500 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000004934350 HE Annotated Anodyne CC(C)CCN(CC(=O)NC(C)(C)C)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004935102 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004936256 HE Annotated Anodyne CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21 ZINC000004958894 HE Annotated Anodyne CCOc1ccc2nc(NCCNC(=S)NCCCN(C)C)c(C#N)cc2c1 ZINC000004964329 HE Annotated Mild CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000004969861 HE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N(C)Cc3ccccc3)ccc21 ZINC000004971603 HE Annotated Anodyne CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc(C)cc3)ccc21 ZINC000004971615 HE Annotated Anodyne CC(=O)NC1=NC(C)(C)N(OCc2ccc(Cl)c(Cl)c2)C(NC(C)=O)=N1 ZINC000045187442 HE Annotated Anodyne COc1ccc2nc(/N=C3\NC(c4ccccn4)(c4ccccn4)C(=O)N3C)[nH]c2c1 ZINC000045192278 HE Annotated Mild CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)N1CCOCC1 ZINC000045210431 HE Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@@H](CNCc4ccccc4)C3)c2n1 ZINC000045228938 HE Annotated Anodyne COc1ccc2ncc(F)c(CCN3C[C@@H](O)[C@H](CNCc4ccccc4)C3)c2n1 ZINC000045228941 HE Annotated Anodyne C=CCC1=C[C@@]2(OC)C(=O)[C@@](OC)([C@H]1O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000045242050 HE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(C(F)(F)F)cc3)n1)C2 ZINC000045245090 HE Annotated Bother CC(=O)Oc1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3)CO[C@H]12 ZINC000045245734 HE Annotated Anodyne O=C(N1CCc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2C1)C(F)(F)F ZINC000045245976 HE Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1ccccc1)-c1ccccc1S(=O)(=O)N2C ZINC000045253122 HE Annotated Reactive Cc1c2c(nn1CC(=O)N/N=C/c1ccsc1)-c1ccccc1S(=O)(=O)N2C ZINC000045254615 HE Annotated Reactive CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(N(C)C)cnc12 ZINC000045255254 HE Annotated Anodyne COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000045256634 HE Annotated Anodyne Cc1c2c(nn1CC(=O)N/N=C/c1cccs1)-c1ccccc1S(=O)(=O)N2C ZINC000045259021 HE Annotated Reactive COc1ccc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO ZINC000045259309 HE Annotated Anodyne COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO ZINC000045259311 HE Annotated Anodyne COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO ZINC000045259314 HE Annotated Anodyne COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO ZINC000045259317 HE Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)nc(C)n1 ZINC000045259895 HE Annotated Anodyne COc1ccc(-c2ncc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)n2C)cc1F ZINC000045262088 HE Annotated Bother COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@H]2c2ccc(C)cc2)cc1 ZINC000045283659 HE Annotated Anodyne COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000045283661 HE Annotated Anodyne Cc1nc2c(c(NN)nn2-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(=O)[nH]1 ZINC000045286879 HE Annotated Anodyne CNC(=O)c1cccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c1C ZINC000045289708 HE Annotated Anodyne CNC(=O)c1cccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c1C ZINC000045289711 HE Annotated Anodyne CCNC(=O)Nc1cn2c(-c3ncccn3)cc(-c3cnc(N(C)C)nc3)cc2n1 ZINC000045290155 HE Annotated Anodyne COn1cc([C@@H]2CC(=O)NC(=N)N2)c2cc(Br)c(Br)cc21 ZINC000045291420 HE Annotated Anodyne COn1cc([C@H]2CC(=O)NC(=N)N2)c2cc(Br)c(Br)cc21 ZINC000045291423 HE Annotated Anodyne C/C=C/[C@H](C(=O)NCCCC)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1C ZINC000045302474 HE Annotated Anodyne C/C=C/[C@@H](C(=O)NCCCC)N1C(=O)c2cc(NC(C)=O)ccc2NC(=O)[C@@H]1C ZINC000045302475 HE Annotated Anodyne CN(Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O)C[C@@H]1COCCO1 ZINC000045302678 HE Annotated Anodyne CN(Cc1cc2ccc(F)cc2n(CCN2CCCCC2)c1=O)C[C@H]1COCCO1 ZINC000045302679 HE Annotated Anodyne O=C(O)CCCCCCCC(=O)OC[C@H]1CC[C@@H](n2cnc3c(=O)[nH]cnc32)O1 ZINC000045316087 HE Annotated Anodyne CN(C)c1cccc(C(=O)N2CCN(C(=O)C(=O)c3c[nH]c4ccccc34)CC2)c1 ZINC000045317648 HE Annotated Anodyne COc1ccc2ncc(C#N)c(CCN3C[C@@H](O)[C@@H](CNCc4ccccc4)C3)c2n1 ZINC000045321798 HE Annotated Mild C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccn3)CC2)c1OC ZINC000045322553 HE Annotated Reactive COc1cc(OCCCCCCON2C(=N)N=C(N)NC2(C)C)cc(OC)c1OC ZINC000045336519 HE Annotated Anodyne COc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 ZINC000045348096 HE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@H]3C=C[C@@H]2C3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045365699 HE Annotated Anodyne O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@H]2C3)CN1c1ccc(N2CCOCC2)c(F)c1 ZINC000045365702 HE Annotated Anodyne CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1OC ZINC000045371827 HE Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@@](O)(Cn1cncn1)c1ccc(F)cc1 ZINC000045373126 HE Annotated Anodyne COc1ccc2c(c1)SCC(=O)N2C[C@](O)(Cn1cncn1)c1ccc(F)cc1 ZINC000045373130 HE Annotated Anodyne CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000045388740 HE Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@@H](N)CC(=O)O ZINC000045483943 HE Annotated Anodyne COc1cnc(NS(=O)(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)nc1 ZINC000045484230 HE Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)CN(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000045495888 HE Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)CN(C(=O)CN)C2(C)C)c2ncccc2c1 ZINC000045495891 HE Annotated Anodyne Cc1c(N2CC[C@H]([C@H](N)c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000045496379 HE Annotated Anodyne Cc1c(N2CC[C@@H]([C@H](N)c3ccccc3)C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c12 ZINC000045496381 HE Annotated Anodyne Cc1nc(C)c(CN2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)nc1C ZINC000045496768 HE Annotated Bother Nc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2nc3ccccc3o2)CC1 ZINC000045505703 HE Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)N(C)C)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473085510 HE Annotated Mild COc1cccc(CN(C)C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)c1 ZINC000473086193 HE Annotated Anodyne O=c1cc(N2CCc3[nH]nc(-c4ccnc(O)n4)c3C2)ccn1Cc1ccccc1 ZINC000473089354 HE Annotated Anodyne COc1ccc(CN(C)C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)cc1 ZINC000473090212 HE Annotated Anodyne CC(=O)N1CCC(CO[C@@H]2CNCC[C@H]2Nc2nccc3cc(C)c(O)nc23)CC1 ZINC000473090254 HE Annotated Anodyne C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCO)c3)ncc2Cl)c1 ZINC000473090800 HE Annotated Anodyne N=c1nc2c(c[nH]1)C[C@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473094037 HE Annotated Anodyne N=c1nc2c(c[nH]1)C[C@@H](NC(=O)c1cc(Br)c(Br)[nH]1)CC2 ZINC000473094038 HE Annotated Anodyne CCC(=O)Nc1cccc(Oc2nc(N=c3cc[nH][nH]3)cc(N3CCN(C)CC3)n2)c1 ZINC000473108791 HE Annotated Anodyne COCCC(=O)N(CCNCCc1ccc(O)c2c1OCC(=O)N2)C1CCCCC1 ZINC000473108838 HE Annotated Anodyne O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCCC1)c1ccccn21 ZINC000473112273 HE Annotated Clean CCOC(=O)[C@@H]1c2c(ccc(Br)c2O)-n2c(=O)c3ccccc3c(=O)n21 ZINC000473114979 HE Annotated Clean CCOC(=O)[C@H]1c2c(ccc(Br)c2O)-n2c(=O)c3ccccc3c(=O)n21 ZINC000473114980 HE Annotated Clean CC(=O)N1CCc2ccc(OCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2C1 ZINC000473120521 HE Annotated Anodyne Cc1cn(-c2ccnc(Nc3cc(C)c(OCCO)c(C)c3)n2)cc1CN1CC(O)C1 ZINC000473122132 HE Annotated Anodyne CN1CCN(c2nc3ccoc3c(=NC3CCN(Cc4ccccc4)CC3)[nH]2)CC1 ZINC000473125491 HE Annotated Anodyne COc1c(C)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(C(=O)SC)c(C(C)C)c1C ZINC000473128598 HE Annotated Anodyne COc1c(C)c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)c(C)c(C(C)C)c1C(=O)SC ZINC000473128603 HE Annotated Anodyne C=C1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(OC)nccc12 ZINC000473132118 HE Annotated Mild CC(C)[C@H]1CC[C@@](O)(CI)[C@H]2C(=O)OCC(C(=O)O)=C[C@@H]21 ZINC000473134934 HE Annotated Reactive COc1ncccc1[C@H]1C(C(N)=O)=C(C)N=C2N=C(SCc3ccccc3)NN21 ZINC000473135040 HE Annotated Anodyne COc1ncccc1[C@@H]1C(C(N)=O)=C(C)N=C2N=C(SCc3ccccc3)NN21 ZINC000473135041 HE Annotated Anodyne C=C(C(=O)O)[C@H]1OC(=O)[C@H]2[C@H]1[C@@H](C(C)C)CC[C@@]2(O)CI ZINC000473135925 HE Annotated Reactive C=C(C(=O)O)[C@@H]1OC(=O)[C@H]2[C@H]1[C@@H](C(C)C)CC[C@@]2(O)CI ZINC000473135926 HE Annotated Reactive COc1ccc(OC)c(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000473136287 HE Annotated Anodyne COc1ccc(OC)c(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000473136288 HE Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccncc3)=NC2=N1 ZINC000473136916 HE Annotated Clean CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(SCc3ccncc3)=NC2=N1 ZINC000473136917 HE Annotated Clean O=S(=O)(NCCCN1c2ccccc2CCc2ccccc21)N1CCOCC1 ZINC000473136970 HE Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ccc(N(C)C)cc2)N2NC(Sc3ccccn3)=NC2=N1 ZINC000473137234 HE Annotated Clean CC1=C(C(N)=O)[C@@H](c2ccc(N(C)C)cc2)N2NC(Sc3ccccn3)=NC2=N1 ZINC000473137235 HE Annotated Clean COc1ccc(F)c(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@H]2C)c1 ZINC000473137646 HE Annotated Anodyne COc1ccc(F)c(CN2Cc3cc(OC)c(OS(N)(=O)=O)cc3C[C@@H]2C)c1 ZINC000473137647 HE Annotated Anodyne COc1ccc([N+](=O)[O-])cc1COc1c(Cl)cc(CN=c2nn[nH][nH]2)cc1OC ZINC000473149207 HE Annotated Bother CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12 ZINC000473150940 HE Annotated Bother CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12 ZINC000473150943 HE Annotated Bother COC(=O)c1cccc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)c1 ZINC000473152439 HE Annotated Anodyne NNC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(NCCCN2CCOCC2)cc1 ZINC000473153063 HE Annotated Reactive N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1F ZINC000473153655 HE Annotated Mild Cc1cccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=N)N)c1 ZINC000473154353 HE Annotated Mild Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=N)N)cc1 ZINC000473154464 HE Annotated Mild COc1cccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=N)N)c1 ZINC000473154576 HE Annotated Mild Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(C(F)F)n1 ZINC000473154910 HE Annotated Anodyne CCOC(=O)N/C(=N/Cc1nc(C2CC2)cnc1N)Nc1ccc2nc(O)oc2c1 ZINC000473155008 HE Annotated Mild N=C(N)N/N=C/c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccc(F)cc1 ZINC000473159495 HE Annotated Mild COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2/C=N/NC(=N)N)cc1 ZINC000473159618 HE Annotated Mild Cc1ccc(N2CCNCC2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](COc2ccccn2)C3)n1 ZINC000473162876 HE Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2cc(C(N)=O)nc2-3)no1 ZINC000473165301 HE Annotated Mild Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]n23)c(C(F)F)n1 ZINC000473166780 HE Annotated Anodyne COC1CN(c2ccc(C(=O)OC(C)(C)c3cc(N)on3)nc2OCC2CC2)C1 ZINC000473168089 HE Annotated Anodyne Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C(F)(F)F)n1 ZINC000473170056 HE Annotated Anodyne Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2ccnn2)n1 ZINC000473171346 HE Annotated Anodyne Cc1cc(C)nc(OC[C@H]2C[C@H]3CC[C@H]2N3C(=O)c2ccc(C)nc2-n2nccn2)n1 ZINC000473171504 HE Annotated Anodyne Cn1cc(NC(=O)c2ccc3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]n23)c(C(F)(F)F)n1 ZINC000473171626 HE Annotated Anodyne Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(C(F)F)n1 ZINC000473171691 HE Annotated Anodyne N#Cc1ccc(CS(=O)(=O)c2cccc(C(=O)N=c3ccc(C#N)c[nH]3)c2)cc1 ZINC000473172826 HE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)no1 ZINC000473179725 HE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1 ZINC000473179740 HE Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)no1 ZINC000473183387 HE Annotated Mild Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)no1 ZINC000473183394 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C2COC2)C3=O)C[C@H]1C ZINC000473198009 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(C2COC2)C3=O)C[C@H]1C ZINC000473198010 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(C2COC2)C3=O)C[C@H]1C ZINC000473198011 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@]23NC(=N)N(CC2COC2)C3=O)C[C@H]1C ZINC000473198024 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2COC2)C3=O)C[C@H]1C ZINC000473198028 HE Annotated Mild CO[C@@H]1[C@@H](C)C[C@@]2(Cc3ccc(C#N)cc3[C@@]23NC(=N)N(CC2COC2)C3=O)C[C@H]1C ZINC000473198029 HE Annotated Mild CC(C)C[C@@H]1C(=O)N([C@H](C(=O)C(N)=O)c2ccccc2)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473199139 HE Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](C(=O)C(N)=O)c2ccccc2)C(=O)[C@H]1c1ccc(O)cc1 ZINC000473199140 HE Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@@H](C(=O)C(N)=O)c2ccccc2)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473199141 HE Annotated Anodyne CC(C)C[C@@H]1C(=O)N([C@H](C(=O)C(N)=O)c2ccccc2)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000473199142 HE Annotated Anodyne CCN(CC)c1nccc(-c2sc(NC(=O)N3CC[C@@H]4C[C@]43C(N)=O)nc2C)n1 ZINC000473210103 HE Annotated Anodyne Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)no1 ZINC000473227475 HE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](F)CO3)no1 ZINC000473227493 HE Annotated Mild Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](F)CO3)no1 ZINC000473227495 HE Annotated Mild COc1cccc2sc(=Nc3c([N+](=O)[O-])cc([N+](=O)[O-])c4no[n+]([O-])c34)[nH]c12 ZINC000473235085 HE Annotated Bother Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C4CC4)n2CCO3)no1 ZINC000473245326 HE Annotated Mild COc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](c3nnc4cnc5[nH]ccc5n34)C2)cc1 ZINC000473247200 HE Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4ncc(C)s4)C[C@H]3C)nc21 ZINC000473247924 HE Annotated Anodyne COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cnc(C)s4)C[C@H]3C)nc21 ZINC000473248607 HE Annotated Anodyne C#CCN(Cc1cccc(OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000474604616 HE Annotated Mild O=C(O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474607064 HE Annotated Anodyne O=C(O)C(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2 ZINC000474609355 HE Annotated Anodyne COc1cc(C(N)N)ccc1NCCCCCNc1ccc(C(N)N)cc1OC ZINC000474609602 HE Annotated Anodyne C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@](N)=O)cc2)ncc1Br ZINC000474609693 HE Annotated Anodyne C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc([S@@](N)=O)cc2)ncc1Br ZINC000474609694 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@@H]3O ZINC000048964479 HE Annotated Reactive CC(=O)O[C@H]1[C@H]2[C@H](O[C@H]3OC(=O)/C(=C\[C@@H]4CCCC(C)(C)C4)[C@H]32)O[C@@H]1OC(C)=O ZINC000048999155 HE Annotated Anodyne CC(=O)O[C@H]1[C@H]2[C@H](O[C@H]3OC(=O)/C(=C\[C@H]4CCCC(C)(C)C4)[C@H]32)O[C@@H]1OC(C)=O ZINC000048999157 HE Annotated Anodyne CO/N=C/c1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049019981 HE Annotated Mild CCCc1n[nH]c2c(=O)n(NC(=O)c3ccncc3)c(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000049034123 HE Annotated Bother CC(=O)OCCOCn1nc(C(N)=O)nc1SCc1cccc(C(F)(F)F)c1 ZINC000049035233 HE Annotated Anodyne Cc1cc(C#N)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(N)nc(F)c2)c1 ZINC000049036301 HE Annotated Mild CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccccc1C(F)(F)F ZINC000049045483 HE Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1cccc(C(F)(F)F)c1 ZINC000049052215 HE Annotated Anodyne CNS(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 ZINC000049053976 HE Annotated Anodyne CCCN(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049067390 HE Annotated Anodyne CCN(CC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 ZINC000049067392 HE Annotated Anodyne CC(=O)N1C[C@@H](Oc2ccc(F)cc2)C[C@@H]1C(=O)N1CCCN(C2CCC2)CC1 ZINC000049069041 HE Annotated Anodyne O=C(COc1cccc(F)c1C(=O)N1CCCC1)N[C@H](CO)Cc1ccccc1 ZINC000049070481 HE Annotated Anodyne COC(=O)c1cc2c([nH]1)C(=O)C=C1N(C(=O)c3cc4cc(O)ccc4[nH]3)C[C@H]3C[C@]123 ZINC000049071922 HE Annotated Mild CN1CCN(c2ccnc3c2c(/C=C2\Oc4cc(O)cc(O)c4C2=O)cn3C)CC1 ZINC000049072859 HE Annotated Mild CC(C)[C@@](O)(C[C@H]1C(=O)[C@H](C(=O)[C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)C(=O)N1C)C(=O)O ZINC000049088881 HE Annotated Anodyne CCc1nn(CCOC(C)C)c2c(Nc3ccccn3)nc(N3CCNCC3)nc12 ZINC000049089040 HE Annotated Anodyne CCO[C@@H]1O[C@@H]2O[C@]3(CC[C@]2(O)[C@H]1O)[C@H](C)C[C@H]1OC(=O)[C@@]2(C)CCC[C@@]3(C)[C@@H]12 ZINC000049110921 HE Annotated Anodyne O=C1CNC(NC[C@@H]2CCCc3cc(S(=O)(=O)c4cccc(F)c4)ccc32)=N1 ZINC000049112097 HE Annotated Anodyne COCCCNCc1cc(S(N)(=O)=O)cnc1Sc1ccc(F)c(F)c1 ZINC000049112323 HE Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(C(F)(F)F)cc1 ZINC000049112360 HE Annotated Anodyne CCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3cccc(C)n3)c21 ZINC000049113222 HE Annotated Anodyne CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(CC(C)C)CC1 ZINC000049114438 HE Annotated Anodyne CC(C)N1SC(C)(C)[C@@H](N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2Cl)C1=O ZINC000049115907 HE Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000049124958 HE Annotated Reactive N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000049124962 HE Annotated Reactive CCCOCCn1nc(CC)c2nc(N3CCNCC3)nc(Nc3ccccn3)c21 ZINC000049125404 HE Annotated Anodyne CCn1cnc2c3c(c(O)cc21)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/3 ZINC000049125465 HE Annotated Mild Cc1nc2c3c(c(O)cc2n1C)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C/C=C/3 ZINC000049125667 HE Annotated Mild COc1ccc(N2CCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)CC2)cc1 ZINC000049539875 HE Annotated Clean O=C(CN1CCNCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049709204 HE Annotated Reactive O=C1CN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1 ZINC000049722990 HE Annotated Reactive O=C(CN1CCOCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049746970 HE Annotated Reactive CS(=O)(=O)CC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049762742 HE Annotated Reactive Nc1nc(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n[nH]1 ZINC000049767300 HE Annotated Reactive CC(=O)c1ccc(N2CCN(c3cc4c(cc3N)c(=O)c(C(=O)O)cn4C)CC2)cc1 ZINC000049769662 HE Annotated Anodyne CN(C)/N=C/c1c(Cl)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 ZINC000049792773 HE Annotated Mild O=C1C(SCCO)=C(SCCO)C(=O)N1c1ccc(OC(F)(F)F)cc1 ZINC000049803189 HE Annotated Anodyne CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCC2CCOCC2)c2ccccc21)C(N)=O ZINC000049803609 HE Annotated Anodyne CC(C)(C)[C@@H](NC(=O)n1c(=O)n(CCC2CCOCC2)c2ccccc21)C(N)=O ZINC000049803610 HE Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(C(=O)NCCO)cc3)C[C@H]1C=N2 ZINC000049803739 HE Annotated Anodyne Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3)c(=O)c12 ZINC000049803869 HE Annotated Reactive CCN1CCN(c2nc(C)nc(Sc3nnc4c5ccccc5n(C)c4n3)n2)CC1 ZINC000049820629 HE Annotated Anodyne CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)COOC3)nc1 ZINC000049872503 HE Annotated Reactive CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000049942242 HE Annotated Anodyne CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CC1 ZINC000000576971 HE Annotated Anodyne Nc1nc2c(nc(Br)n2[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000000589859 HE Annotated Bother COc1cc2c(c(O)c1O)[C@@]1(C)Oc3c(O)c(OC)cc(C=O)c3[C@](C)(O1)C2=O ZINC000000590539 HE Annotated Clean in-vitro CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@H](CF)C5)c1c4n23 ZINC000000598136 HE Annotated Anodyne COc1ccc(-c2c(F)cc(N3C[C@@H](CNC(C)=O)OC3=O)cc2F)ccc1=O ZINC000000601168 HE Annotated Anodyne COC(=O)c1cc(OC)cc(OC)c1C(=O)c1coc(C[C@H](C)OC(C)=O)cc1=O ZINC000000603113 HE Annotated Anodyne O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1 ZINC000000606114 HE Annotated Anodyne Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3CCC4(CC3)OCCO4)sc2n1 ZINC000000752890 HE Annotated Anodyne Cc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2ccc(Br)cc2)n1 ZINC000000754139 HE Annotated Anodyne CN(C)c1nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)nc(-c2ccco2)n1 ZINC000000754149 HE Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758571 HE Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758572 HE Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000000758573 HE Annotated Anodyne CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000764886 HE Annotated Anodyne C[C@@H](O)CN(C[C@@H](C)O)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000000766712 HE Annotated Anodyne C[C@H](O)CN(C[C@H](C)O)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000000766713 HE Annotated Anodyne CC(=O)N1CCN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)CC1 ZINC000000766731 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770469 HE Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCN1CCOCC1 ZINC000000770471 HE Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccoc1 ZINC000000772053 HE Annotated Anodyne O=C(NCCN1CCOCC1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccoc1 ZINC000000772055 HE Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC[C@H](O)CO ZINC000000774413 HE Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NC[C@@H](O)CO ZINC000000774414 HE Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774433 HE Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774434 HE Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@H](O)CO)c1 ZINC000000774480 HE Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NC[C@@H](O)CO)c1 ZINC000000774481 HE Annotated Anodyne COc1ccc(-c2noc(C)c2C(=O)NC[C@@H](O)CO)cc1OCc1ccccc1 ZINC000000776490 HE Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)c(OC)c1 ZINC000000776859 HE Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)c(OC)c1 ZINC000000776860 HE Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CO)c(OC)c1 ZINC000000777178 HE Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)c(OC)c1 ZINC000000777179 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000791023 HE Annotated Anodyne COc1ccccc1N(C[C@@H](O)Cn1ccnc1C)S(=O)(=O)c1ccccc1 ZINC000000895619 HE Annotated Anodyne COc1ccccc1N(C[C@H](O)Cn1ccnc1C)S(=O)(=O)c1ccccc1 ZINC000000895624 HE Annotated Anodyne O=C(CSc1nnc(COc2ccc(Br)cc2)o1)N1CCOCC1 ZINC000000899699 HE Annotated Anodyne Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21 ZINC000000919806 HE Annotated Anodyne Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCC2=CCCCC2)C1 ZINC000005005224 HE Annotated Anodyne O=C(O)CCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc21 ZINC000005026271 HE Annotated Anodyne COc1ccccc1-c1cc(=O)n(CC(=O)N2CCC(C(N)=O)CC2)c2c1CCCC2 ZINC000005035819 HE Annotated Anodyne COc1ccc(CCNC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1OC ZINC000005036165 HE Annotated Anodyne CCCCN(C)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O ZINC000005042330 HE Annotated Anodyne CCn1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042380 HE Annotated Anodyne CCn1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21 ZINC000005042381 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(C)cc2)c1 ZINC000005065837 HE Annotated Reactive CN(Cc1ccco1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068344 HE Annotated Anodyne CN(Cc1ccco1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 ZINC000005068347 HE Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000005070453 HE Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000005070456 HE Annotated Anodyne CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000005070460 HE Annotated Anodyne CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000005070464 HE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@@H]1CCCO1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071329 HE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@@H]1CCCO1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071333 HE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](NC[C@H]1CCCO1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071339 HE Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NC[C@H]1CCCO1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000005071343 HE Annotated Anodyne CC1(C)CC(=O)N(CC(=O)NCc2ccc(F)cc2)c2ccccc2S1(=O)=O ZINC000005084370 HE Annotated Anodyne CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccc(C(=O)O)cc1C2=O ZINC000005115307 HE Annotated Clean C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1 ZINC000005158361 HE Annotated Mild in-vitro C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@H]3O ZINC000523041937 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@]12O[C@@H]3O ZINC000523041938 HE Annotated Mild O=C(CN1CCCCC1)OCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000053045665 HE Annotated Anodyne C[C@H]1CO[C@H]2C(CN(C)c3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053177208 HE Annotated Mild C[C@H]1CO[C@@H]2C(CN(C)c3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000053177209 HE Annotated Mild C[C@H]1CO[C@H]2C(CN(C)c3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053177210 HE Annotated Mild C[C@H]1CO[C@@H]2C(CN(C)c3ccc(F)cc3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000053177211 HE Annotated Mild CCN(/C=N/c1ccc2nc(N3CCN(C)CC3)c(N3CCN(C)CC3)nc2c1)CC ZINC000053257431 HE Annotated Mild O=S(=O)(CC1=NCCS1)c1c[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000053276487 HE Annotated Anodyne CCOC(=O)c1cc2c(n1C)-c1[nH]c(=O)c(S(=O)(=O)c3ccccc3)cc1CC2 ZINC000053297618 HE Annotated Anodyne COc1cc(OC)cc(C(=O)Nc2n[nH]c3c2CN(C(=O)[C@@H](O)c2ccccc2)C3)c1 ZINC000053297778 HE Annotated Anodyne N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000053313225 HE Annotated Reactive N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000053313230 HE Annotated Reactive N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000053313232 HE Annotated Reactive N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000053313235 HE Annotated Reactive Nn1c(SCC(=O)O)nnc1-c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000053314285 HE Annotated Anodyne CC1=[n+]2c(sc3cc(OCCO)ccc32)=N/C(=C\c2oc3ccccc3[n+]2C)[CH-]1 ZINC000053669170 HE Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684265 HE Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684269 HE Annotated Anodyne CCCC(=O)c1c(O)c(C)c(O)c(C[C@H]2C(=O)[C@@H](C(C)=O)C(=O)C(C)(C)C2=O)c1O ZINC000053684271 HE Annotated Anodyne Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc[n+]1CC#N ZINC000005523334 HE Annotated Mild COc1cc2c(c(OC)c1OC)C(=O)[C@H](Br)[C@H]2NC(=O)NCCCl ZINC000005537578 HE Annotated Reactive CC(=O)OC[C@@H]1OC(c2nc3ccccc3s2)=C[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537688 HE Annotated Anodyne CC(=O)OC[C@@H]1OC(c2nc3ccccc3s2)=C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537694 HE Annotated Anodyne Cn1c2ccccc2c(=NNc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21 ZINC000005538224 HE Annotated Bother O=S(=O)(c1ccccc1)[C@@H]1[C@H]2C=C[C@](CS)(O2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000005579399 HE Annotated Mild CS(=O)(=O)c1nc(-c2cc3c(c(S(C)(=O)=O)n2)CCC3)cc2c1CCCC2 ZINC000005582919 HE Annotated Anodyne O=C1C[C@@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@@H]([C@H](O)c1ccccc1)C2=O ZINC000005662666 HE Annotated Anodyne O=C1C[C@H](c2ccccc2)NCCCCN2C[C@@H](CN1)[C@@H]([C@H](O)c1ccccc1)C2=O ZINC000005662667 HE Annotated Anodyne N#C[C@@H](C(=O)/C(=N/Nc1nc(S)nn1N)[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000005722501 HE Annotated Mild CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCCl)CCCl ZINC000005733373 HE Annotated Reactive CC1(C)C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000005741671 HE Annotated Anodyne CC1(C)C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000005741677 HE Annotated Anodyne CC1(C)C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000005741696 HE Annotated Anodyne CN(C)CCNC(=O)c1ccc(N(CCCl)CCCl)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC000005741981 HE Annotated Reactive C/N=C1\OC2=C3[C@](c4ccccc4)(OC2=O)N(C)/C(=N\C)O[C@@]3(c2ccccc2)N1C ZINC000005759746 HE Annotated Mild C/N=C1\OC2=C3[C@](c4ccccc4)(O/C(=N/C)N(C)[C@]3(c3ccccc3)OC2=O)N1C ZINC000005759747 HE Annotated Mild CCCC[C@H](C)[C@H](O)[C@H](O)C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N ZINC000005822018 HE Annotated Anodyne in-vitro CCOC(=O)Cc1ccc2c(c1O)C(=O)c1c(ccc(CC(=O)OCC)c1O)C2=O ZINC000005829817 HE Annotated Clean COc1cc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000005838687 HE Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC ZINC000005838692 HE Annotated Reactive C(CCCCc1nnc(N2CCOCC2)o1)CCCc1nnc(N2CCOCC2)o1 ZINC000005848193 HE Annotated Anodyne C=C1O[C@@H]2O[C@H](C)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]2O1 ZINC000005848270 HE Annotated Anodyne C=C1O[C@@H]2O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]2O1 ZINC000005848283 HE Annotated Anodyne C=C1O[C@@H]2O[C@@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](OC(C)=O)[C@H]2O1 ZINC000005848286 HE Annotated Anodyne CN(C)c1ccc(C(=NNC2=c3ccccc3=NC2=O)c2ccc(N(C)C)cc2)cc1 ZINC000005849178 HE Annotated Mild COC(=O)CN(C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1N=[N+]=[N-])C(=O)OCc1ccccc1 ZINC000005851412 HE Annotated Clean COC(=O)CN(C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1N=[N+]=[N-])C(=O)OCc1ccccc1 ZINC000005851420 HE Annotated Clean COC(=O)CN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1N=[N+]=[N-])C(=O)OCc1ccccc1 ZINC000005851426 HE Annotated Clean COC(=O)CN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1N=[N+]=[N-])C(=O)OCc1ccccc1 ZINC000005851433 HE Annotated Clean CN[C@@H]1c2ccccc2C(=O)c2cc3c(cc21)OCCOCCOCCOCCO3 ZINC000005855503 HE Annotated Anodyne O=C(CN1C(=O)NC2(CCCC2)C1=O)OCCOc1ccc(Br)cc1 ZINC000005874238 HE Annotated Anodyne O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1C(F)(F)F ZINC000005875186 HE Annotated Anodyne CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC)c2ccccc2c1=O ZINC000005909124 HE Annotated Anodyne CCOC(=O)c1cc([C@H]2CCN(Cc3ccccc3)C2=O)c(C(=O)C(=[N+]=[N-])C(C)=O)[nH]1 ZINC000005922339 HE Annotated Clean C=CCN(c1cc(OC)c2c(c1[N+](=O)[O-])[C@@](C)(SC)C(=O)N2)S(C)(=O)=O ZINC000005922540 HE Annotated Mild COCN1C(=O)[C@@H]2C[C@@H](OC/C=C/CBr)CN2C(=O)c2ccccc21 ZINC000005924252 HE Annotated Reactive COc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000005924708 HE Annotated Anodyne COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=O)NC3=O)cc1 ZINC000005924710 HE Annotated Anodyne O=C1C[C@@H](NC(=O)C(F)(F)F)c2c(Br)sc(N3CCNCC3)c21 ZINC000005940335 HE Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@H]23)OCO4)c(OC)c1 ZINC000005941923 HE Annotated Anodyne COc1ccc([C@@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@H]23)OCO4)c(OC)c1 ZINC000005941925 HE Annotated Anodyne COc1ccc([C@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@H]23)OCO4)c(OC)c1 ZINC000005941927 HE Annotated Anodyne C/C(=N/NC(=S)N1CCCC1)c1cccc(/C(C)=N\NC(=S)N2CCCC2)n1 ZINC000005957188 HE Annotated Mild CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000005979910 HE Annotated Anodyne O=C(CCN1CCCCO1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055060863 HE Annotated Anodyne O=C(CCN1CCCCO1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055060864 HE Annotated Anodyne Cc1cccc(CN2CCC(N3CCC(C(=O)NCCn4cccn4)CC3)CC2)n1 ZINC000055133907 HE Annotated Anodyne O=C(CCCn1cncn1)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055183001 HE Annotated Anodyne O=C(CCCn1cncn1)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055183002 HE Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@H]2SC=CN12)c1cn([C@@H]2CCNC2)c2ncccc12 ZINC000055646900 HE Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@H]2SC=CN12)c1cn([C@H]2CCNC2)c2ncccc12 ZINC000055646901 HE Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@@H]2SC=CN12)c1cn([C@@H]2CCNC2)c2ncccc12 ZINC000055646902 HE Annotated Anodyne O=S(=O)(C1=C(Cl)N[C@@H]2SC=CN12)c1cn([C@H]2CCNC2)c2ncccc12 ZINC000055646903 HE Annotated Anodyne C=CCn1c(S)nn2c(=N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000055671634 HE Annotated Anodyne CCn1c(S)nn2c(=N)c(C#N)c(-c3ccc(N4CCOCC4)cc3)c(C#N)c12 ZINC000055685111 HE Annotated Anodyne CN1CC[C@H](n2cc(S(=O)(=O)C3=C(Cl)N[C@H]4SC=CN34)c3cccnc32)C1 ZINC000055869819 HE Annotated Anodyne CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5OC(=O)CCl)N3[C@@H]1O ZINC000056897614 HE Annotated Reactive in-man CCCN(CCC)C(=O)Cn1nc2cc(C)nc(N3CCc4ccccc4C3)n2c1=O ZINC000057505787 HE Annotated Anodyne Cc1nc2nc(C)c(CCC(=O)NC(C)(C)c3noc(C(C)(C)C)n3)c(O)n2n1 ZINC000058315061 HE Annotated Anodyne COc1cc2c(cc1OC)[C@]13CC[N@@+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 ZINC000584879800 HE Annotated Bother COc1cc2c(cc1OC)[C@]13CC[N@+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 ZINC000584879801 HE Annotated Bother N=Cc1nc(N2CCOCC2)nc(N(Cc2cn3ccccc3n2)C2CCCC2)n1 ZINC000584905360 HE Annotated Anodyne CCCCCCNC(=O)CN(C)S(=O)(=O)c1ccc(N(C)C)c2nsnc12 ZINC000584905517 HE Annotated Anodyne CC(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCc3ccccc3C2)n1 ZINC000058502051 HE Annotated Reactive CCOC(=O)[C@@H](C#N)[C@@H]1c2cc(Br)ccc2O[C@@H](N)[C@@H]1C(=O)OCC ZINC000058508278 HE Annotated Mild CCc1cc(Br)ccc1S(=O)(=O)NC[C@H](O)CN1C[C@@H](C)C[C@H]1C ZINC000058509658 HE Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1cccs1 ZINC000058533170 HE Annotated Anodyne COc1ccccc1C(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C ZINC000058534207 HE Annotated Bother CC(C)(C)[C@H](NC(=O)Nc1ccccn1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058537977 HE Annotated Bother CC(C)(C)[C@H](NC(=O)Nc1cccnc1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058538045 HE Annotated Bother COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)C ZINC000058538107 HE Annotated Bother COc1ccccc1NC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCC1)C(C)(C)C ZINC000058538187 HE Annotated Bother CN1[C@H](SCCS(=O)(=O)O)CCO[P@]1(=O)N(CCCl)CCCl ZINC000058541394 HE Annotated Anodyne COC(=O)N1c2ccccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 ZINC000058543038 HE Annotated Anodyne O=C(O)c1cn(-c2ccc(O)cc2)c2nc(N3C[C@@H]4CCCN[C@H]4C3)c(F)cc2c1=O ZINC000058543102 HE Annotated Anodyne CCO[C@@H]1CC[C@@H]2CCCC[C@H]2[C@@H]1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000058555843 HE Annotated Anodyne CC(C)CN(NC(=O)c1ccc2nn[nH]c2c1)c1nc(C#N)ncc1Br ZINC000058569451 HE Annotated Reactive Cc1[nH]nc(C(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1Br ZINC000058574693 HE Annotated Anodyne CC(C)CN(NC(=O)[C@@H](N)c1ccccc1)c1nc(C#N)ncc1Br ZINC000058576260 HE Annotated Reactive CC1(C)[C@@H]2CC[C@@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccsc1 ZINC000058576730 HE Annotated Anodyne NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCl)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000058581766 HE Annotated Reactive CC(C)(C)[C@H](NC(=O)Nc1ccncc1)C(=O)N(CC(=O)NO)CC1CCCC1 ZINC000058581786 HE Annotated Bother N#Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000058583146 HE Annotated Mild CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)[C@H](NC(=O)[C@H](N)CC(=O)O)c1cccs1 ZINC000058596415 HE Annotated Anodyne CON1C[C@@]2(C)O[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000058603299 HE Annotated Mild O=C(CN1CCCN(Cc2ccccc2F)CC1)Nc1ccc2c(c1)OCC(=O)N2 ZINC000058603415 HE Annotated Anodyne COc1ccc2c(c1)cc(/C(O)=N/S(=O)(=O)c1ccc(C)cn1)n2CC(=O)O ZINC000058638494 HE Annotated Mild CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1 ZINC000058638905 HE Annotated Anodyne NC(=O)c1nn(CC2CCNCC2)c2c1CCc1cnc(N=C3C=CCC=C3)nc1-2 ZINC000058660898 HE Annotated Mild O=C(O)c1ccccc1/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586878165 HE Annotated Anodyne O=C(O)c1ccccc1/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586878170 HE Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)C2 ZINC000586887349 HE Annotated Anodyne O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]1)C2 ZINC000586887358 HE Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586892643 HE Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586892647 HE Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586893678 HE Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586893680 HE Annotated Anodyne C[C@@H](O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586893737 HE Annotated Anodyne C[C@H](O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586893739 HE Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCO)nc1-2 ZINC000586894398 HE Annotated Anodyne Cc1oc2c(c1-c1nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]1)C(=O)CCC2 ZINC000586903824 HE Annotated Anodyne O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586906288 HE Annotated Anodyne O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586906289 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586911060 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586911062 HE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H]4COCCO4)[nH]c3c2)cc1 ZINC000586911407 HE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H]4COCCO4)[nH]c3c2)cc1 ZINC000586911408 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586913855 HE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(O)CCOCC4)[nH]c3c2)cc1 ZINC000586914146 HE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1)N1CCOCC1 ZINC000586918026 HE Annotated Anodyne CN1CCN(c2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)CC1 ZINC000586919898 HE Annotated Bother COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1OC ZINC000586920053 HE Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000586920135 HE Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586920197 HE Annotated Bother CN(C)CCOc1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000586920561 HE Annotated Bother COC(=O)c1cc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2cc1OC ZINC000586920847 HE Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586921023 HE Annotated Bother N[C@@H](CP(=O)(O)O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586921433 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586921511 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586921709 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586922132 HE Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)CP(=O)(O)O)[nH]c4c3)o2)cc1 ZINC000586922197 HE Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1 ZINC000586922426 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586922526 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586922641 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cccc(I)c2[nH]1 ZINC000586922673 HE Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(I)cc2[nH]1 ZINC000586922827 HE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586923003 HE Annotated Anodyne O=S(=O)(O)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 ZINC000586923024 HE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)o1 ZINC000586923257 HE Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586923297 HE Annotated Clean COC(=O)c1cc2nc([C@@H](N)CP(=O)(O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586923649 HE Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586923653 HE Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)o1 ZINC000586923722 HE Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586924328 HE Annotated Unstable COc1cc(Cc2nc3cccc(C(N)=O)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924345 HE Annotated Unstable COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2n1 ZINC000586925058 HE Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586925070 HE Annotated Anodyne COc1cc(Cc2nc3nc(Cl)c[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925107 HE Annotated Unstable COc1cc(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925259 HE Annotated Unstable COc1cc(Cc2nc3cnc(Cl)[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925849 HE Annotated Unstable COc1cc(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925929 HE Annotated Unstable COC(=O)c1ccnc2[nH]c(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)nc12 ZINC000586925964 HE Annotated Bother CS(=O)(=O)c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926324 HE Annotated Bother NS(=O)(=O)c1cccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c12 ZINC000586926595 HE Annotated Unstable NS(=O)(=O)c1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c12 ZINC000586926922 HE Annotated Unstable COC(=O)c1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cn1 ZINC000586927055 HE Annotated Bother CS(=O)(=O)c1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586927605 HE Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\S(C)(=O)=O)[nH]c2c1 ZINC000586927774 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/S(C)(=O)=O)[nH]c2c1 ZINC000586927776 HE Annotated Anodyne CN(Cc1nc2cc(Br)cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928463 HE Annotated Mild CN(Cc1nc2c(S)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928501 HE Annotated Anodyne CN(Cc1nc2cncc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928569 HE Annotated Mild CN1CCN(c2ccc3nc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)[nH]c3c2)CC1 ZINC000586928570 HE Annotated Mild COC(=O)c1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(C#N)cc3)nc2cc1OC ZINC000586928580 HE Annotated Mild CN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928620 HE Annotated Mild CN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928624 HE Annotated Anodyne CN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)S(=O)(=O)c1cccnc1 ZINC000586928650 HE Annotated Anodyne CN(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928688 HE Annotated Anodyne CN(Cc1nc2c(Br)ccnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928783 HE Annotated Mild CCOC(=O)Cc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 ZINC000586928829 HE Annotated Mild CN(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928834 HE Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1OC ZINC000586929194 HE Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586929277 HE Annotated Anodyne CN(Cc1nc2ccc(Br)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929543 HE Annotated Mild CN(Cc1nc2cc(Br)ncc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929549 HE Annotated Mild CN(Cc1nc2c(F)cnc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929581 HE Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929619 HE Annotated Mild CN(Cc1nc2ccnc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929711 HE Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586929863 HE Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000586930107 HE Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 ZINC000586930278 HE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586930302 HE Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2c1 ZINC000586930587 HE Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ncc(Br)c3[nH]2)c1 ZINC000586930670 HE Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(O)nc(N)nc4[nH]3)c2)cc1 ZINC000586930837 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3ncc(I)cc3[nH]2)o1 ZINC000586930865 HE Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1 ZINC000586931046 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)o1 ZINC000586931377 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586931393 HE Annotated Anodyne CN(C)C(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586931456 HE Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc(S(=O)(=O)N(C)C)cc3)nc2cc1OC ZINC000586931604 HE Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1OC ZINC000586931837 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586931858 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586932018 HE Annotated Bother CCOC(=O)Cc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2c1 ZINC000586932184 HE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586932448 HE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586932450 HE Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586933126 HE Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586933127 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(N)ncnc2[nH]1 ZINC000586934518 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(N)ncnc2[nH]1 ZINC000586934519 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586934558 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586934563 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H](C)O)cc1 ZINC000586934578 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586934579 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@H](C)O)cc1 ZINC000586934580 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586934581 HE Annotated Bother NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586935451 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586935924 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000586935932 HE Annotated Anodyne Cc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1Br ZINC000586936120 HE Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 ZINC000586936226 HE Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586936243 HE Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936516 HE Annotated Anodyne CC1=C(c2ccc3[nH]c(-c4cc(S(=O)(=O)NC(C)C)c[nH]4)nc3c2)NNC(=O)C1 ZINC000586936620 HE Annotated Anodyne Cc1cc(Br)cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936642 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936647 HE Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586936654 HE Annotated Mild COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586936655 HE Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C#N)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586936656 HE Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586936803 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586936806 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586936900 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586936903 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586936909 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586936911 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586936983 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586936990 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586937192 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000586937193 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586937430 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586937431 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)ncnc2[nH]1 ZINC000586937445 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)ncnc2[nH]1 ZINC000586937451 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586937531 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586937532 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586937565 HE Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586937578 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937795 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937802 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](C)O)cc1 ZINC000586937804 HE Annotated Bother COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](C)O)cc1 ZINC000586937806 HE Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586937927 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586937931 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938228 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938229 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938230 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938231 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnnc(O)c2[nH]1 ZINC000586938685 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnnc(O)c2[nH]1 ZINC000586938687 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938757 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938761 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938762 HE Annotated Anodyne COc1ccc(S(=O)(=O)N[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@H](C)O)cc1 ZINC000586938764 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586938911 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586938912 HE Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586939164 HE Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586939167 HE Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586939265 HE Annotated Reactive CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586939267 HE Annotated Reactive C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586939451 HE Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586939452 HE Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586939775 HE Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586939779 HE Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586939890 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586939891 HE Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586939910 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000586939911 HE Annotated Anodyne N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586940122 HE Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586940267 HE Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586940268 HE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3nc(Cl)c[nH]c-3n2)cc1[N+](=O)[O-] ZINC000586940642 HE Annotated Bother COc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000586940800 HE Annotated Bother COc1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000586940829 HE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(=O)O)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940919 HE Annotated Bother Cc1ccc(/C=C\S(=O)(=O)NCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586940938 HE Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586940939 HE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940949 HE Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586941025 HE Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586941027 HE Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941040 HE Annotated Anodyne O=S(=O)(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941055 HE Annotated Anodyne CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCO4)cc1[N+](=O)[O-] ZINC000586941168 HE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3cnc(Cl)[nH]c-3n2)cc1[N+](=O)[O-] ZINC000586941186 HE Annotated Bother COc1cncc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 ZINC000586941202 HE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(CCO)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941284 HE Annotated Bother O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Cl ZINC000586941384 HE Annotated Bother O=S(=O)(NCc1nc2ccc(CCO)cc2[nH]1)c1ccc(Br)s1 ZINC000586941578 HE Annotated Anodyne COc1ccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2n1 ZINC000586941622 HE Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1[N+](=O)[O-] ZINC000586941625 HE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586941798 HE Annotated Bother CCOC(=O)Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586941809 HE Annotated Anodyne O=S(=O)(NCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Br)s1 ZINC000586941917 HE Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)ccnc2[nH]1)c1ccc(Cl)nc1 ZINC000586941918 HE Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586941919 HE Annotated Anodyne O=S(=O)(NCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586941932 HE Annotated Anodyne NC(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 ZINC000586941947 HE Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12 ZINC000586941962 HE Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3c(Cl)ncnc3[nH]2)cc1[N+](=O)[O-] ZINC000586942098 HE Annotated Bother COc1cncc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942214 HE Annotated Anodyne CN(C)CCOc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2c1 ZINC000586942299 HE Annotated Anodyne O=S(=O)(NCCc1nc2cncc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942307 HE Annotated Anodyne O=S(=O)(NCc1nc2c(Cl)ncnc2[nH]1)c1ccc(Br)s1 ZINC000586942327 HE Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)ncc2[nH]1)c1ccc(Cl)nc1 ZINC000586942352 HE Annotated Anodyne N=c1[nH]c2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc-2c(Cl)[nH]1 ZINC000586942408 HE Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Cl)nc1 ZINC000586942440 HE Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942484 HE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCNS(=O)(=O)CC)nc2c1 ZINC000586942592 HE Annotated Anodyne O=S(=O)(NCc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942663 HE Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cn1 ZINC000586942678 HE Annotated Anodyne Nc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1N ZINC000586942694 HE Annotated Anodyne O=S(=O)(NCc1nc2ccc(CO)cc2[nH]1)c1ccc(Br)s1 ZINC000586942748 HE Annotated Anodyne O=S(=O)(NCCc1nc2ccc(Br)nc2[nH]1)c1ccc(Cl)nc1 ZINC000586942829 HE Annotated Anodyne O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(Cl)nc1 ZINC000586942843 HE Annotated Anodyne CCCCCOc1cc2nc(CNS(=O)(=O)NC)[nH]c2cc1Br ZINC000586942971 HE Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942978 HE Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2c1 ZINC000586942980 HE Annotated Bother O=S(=O)(NCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Br)s1 ZINC000586943151 HE Annotated Anodyne O=S(=O)(NCCc1nc2c(O)nc(S)nc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943160 HE Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586943263 HE Annotated Anodyne O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586943270 HE Annotated Bother CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(N)ncc4[nH]3)cc2)cc1 ZINC000586943866 HE Annotated Anodyne Nc1ncnc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c12 ZINC000586944203 HE Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)cc1 ZINC000586944495 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586944988 HE Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586944989 HE Annotated Bother CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)cc1 ZINC000586945097 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586945248 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000586945250 HE Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cn1 ZINC000586945299 HE Annotated Anodyne COc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cn1 ZINC000586945300 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586945488 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000586945489 HE Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2n1 ZINC000586945539 HE Annotated Anodyne COc1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2n1 ZINC000586945541 HE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586945549 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586945567 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(CO)cc2[nH]1 ZINC000586945573 HE Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586945649 HE Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586945659 HE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000586945716 HE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 ZINC000586946096 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586946171 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000586946172 HE Annotated Anodyne NC(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586946439 HE Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000586946465 HE Annotated Anodyne N=c1[nH]c2nc(-c3sccc3S(=O)(=O)NCc3ccco3)nc-2c(Cl)[nH]1 ZINC000586946471 HE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 ZINC000586946511 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)n(C)c1 ZINC000586946667 HE Annotated Clean CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)n(C)c1 ZINC000586946743 HE Annotated Bother CCOC(=O)Cc1ccc2nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c2c1 ZINC000586946866 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(Br)c(Cl)c3[nH]2)n(C)c1 ZINC000586946993 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(I)cccc3[nH]2)n(C)c1 ZINC000586947003 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Cl)ncc(Br)c3[nH]2)n(C)c1 ZINC000586947017 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)n(C)c1 ZINC000586947019 HE Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586947125 HE Annotated Anodyne COc1cncc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c12 ZINC000586947146 HE Annotated Anodyne COc1cncc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c12 ZINC000586947148 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586947162 HE Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586947163 HE Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586947333 HE Annotated Bother O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586947390 HE Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586947395 HE Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586947465 HE Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(I)ccc3[nH]2)n(C)c1 ZINC000586947527 HE Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3c2)NNC(=O)C1 ZINC000586948886 HE Annotated Anodyne N#Cc1nc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2nc1C#N ZINC000586950367 HE Annotated Mild O=S(=O)(Cc1nc2c(O)nc(S)nc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950901 HE Annotated Anodyne N=c1[nH]c2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc-2c(Cl)[nH]1 ZINC000586950978 HE Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586951032 HE Annotated Anodyne Nc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cn1 ZINC000586951142 HE Annotated Anodyne Nc1nccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c12 ZINC000586951168 HE Annotated Anodyne CC1=C(c2ccc3nc(-c4sc(NS(C)(=O)=O)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000586951438 HE Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc12 ZINC000586951671 HE Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586952797 HE Annotated Anodyne CC1=C(c2ccc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c3c2)NNC(=O)C1 ZINC000586953021 HE Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC1 ZINC000586953315 HE Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586953433 HE Annotated Anodyne N=c1[nH]c2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)nc-2c(Cl)[nH]1 ZINC000586953781 HE Annotated Anodyne N#Cc1nc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2nc1C#N ZINC000586953834 HE Annotated Mild NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586954047 HE Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-n5cnnn5)cc4[nH]3)CC2)cc1 ZINC000586954113 HE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586954198 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(Br)ccnc4[nH]3)c2N)C1 ZINC000586954333 HE Annotated Anodyne COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1OC ZINC000586954372 HE Annotated Anodyne Nc1nc(O)c2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2n1 ZINC000586954415 HE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586954439 HE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586954447 HE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(S)nc4[nH]3)CC2)cc1 ZINC000586954475 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)nc4[nH]3)c2N)C1 ZINC000586954491 HE Annotated Anodyne N=c1[nH]cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc-2[nH]1 ZINC000586954517 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 ZINC000586954568 HE Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cn1 ZINC000586954571 HE Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1)N1CCC1 ZINC000586954581 HE Annotated Anodyne CCOC(=O)c1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 ZINC000586954597 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncc(Br)c4[nH]3)c2N)C1 ZINC000586954693 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2N)C1 ZINC000586954932 HE Annotated Anodyne Cc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 ZINC000586955049 HE Annotated Anodyne CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cccc(F)c4[nH]3)CC2)CC1 ZINC000586955062 HE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586955073 HE Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(N)nc4[nH]3)CC2)cc1 ZINC000586955103 HE Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2n1 ZINC000586955125 HE Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c[nH]c(=N)[nH]c-4n3)CC2)cc1 ZINC000586955246 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2N)C1 ZINC000586955258 HE Annotated Mild CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2N)C1 ZINC000586955288 HE Annotated Anodyne Cc1cccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c12 ZINC000586955332 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2N)C1 ZINC000586955339 HE Annotated Bother CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)ncc4[nH]3)c2N)C1 ZINC000586955345 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccnc(Br)c4[nH]3)c2N)C1 ZINC000586955376 HE Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 ZINC000586955452 HE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)CC2)cc1 ZINC000586955489 HE Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(O)nc4[nH]3)CC2)cc1 ZINC000586955571 HE Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC1 ZINC000586955627 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cnc4[nH]3)c2N)C1 ZINC000586955641 HE Annotated Anodyne Cc1cc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2cc1[N+](=O)[O-] ZINC000586955654 HE Annotated Bother COc1cc(OC)c2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586955925 HE Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2N)C1 ZINC000586956042 HE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cnnc(O)c2[nH]1 ZINC000586956222 HE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586956223 HE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(N)ncnc2[nH]1 ZINC000586956418 HE Annotated Anodyne COc1ccc(Cc2nc3c(C)nc(C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956431 HE Annotated Anodyne COc1ccc(Cc2nc3ccc(C#N)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956500 HE Annotated Mild COc1ccc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2c1 ZINC000586956692 HE Annotated Anodyne COc1ccc(Cc2nc3cccc(OC)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956786 HE Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(O)ncnc2[nH]1 ZINC000586956897 HE Annotated Anodyne COc1ccc(Cc2nc3cc(F)cc(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956956 HE Annotated Anodyne COc1ccc(Cc2nc3ccc(F)c(F)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586956959 HE Annotated Anodyne COc1ccc(Cc2nc3ccnc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957177 HE Annotated Anodyne COc1ccc(Cc2nc3cccc(C#N)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957181 HE Annotated Mild COc1ccc(Cc2nc3ccc(Cl)nc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957249 HE Annotated Anodyne COc1ccc(Cc2nc3cc(Cl)ncc3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957337 HE Annotated Anodyne COc1ccc(Cc2nc3cncc(Cl)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957353 HE Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586957541 HE Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586957586 HE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586957587 HE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586957834 HE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586957835 HE Annotated Anodyne COc1cncc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586957861 HE Annotated Mild COc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cn1 ZINC000586958286 HE Annotated Mild COc1nccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c12 ZINC000586958328 HE Annotated Mild C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586958581 HE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586958584 HE Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958626 HE Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2c1 ZINC000586958628 HE Annotated Anodyne COc1ccc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2n1 ZINC000586959262 HE Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(F)cnc3[nH]2)cc1 ZINC000586959523 HE Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586959571 HE Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2c1 ZINC000586959572 HE Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586959646 HE Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000586959651 HE Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586959970 HE Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc12 ZINC000586959976 HE Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960053 HE Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960056 HE Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960060 HE Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(O)nc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960064 HE Annotated Anodyne Cc1nc2[nH]c([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1Br ZINC000586960444 HE Annotated Anodyne Cc1nc2[nH]c([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)nc2cc1Br ZINC000586960446 HE Annotated Anodyne Nc1nc(O)c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586961276 HE Annotated Anodyne Nc1nc(O)c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586961280 HE Annotated Anodyne Nc1nc(O)c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586961282 HE Annotated Anodyne Nc1nc(O)c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586961285 HE Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(I)cnc2[nH]1 ZINC000586961500 HE Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(I)cnc2[nH]1 ZINC000586961503 HE Annotated Anodyne C[C@@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586963538 HE Annotated Anodyne C[C@H](Sc1ncccn1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586963539 HE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000586964797 HE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000586964941 HE Annotated Anodyne N#Cc1ccccc1SCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586965131 HE Annotated Mild CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000586965319 HE Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(S)nc(S)nc2[nH]1 ZINC000586965831 HE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966281 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966325 HE Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1)C(F)(F)F ZINC000586966970 HE Annotated Anodyne Oc1cc(O)nc(SCc2nc3cc(I)cnc3[nH]2)n1 ZINC000586967102 HE Annotated Anodyne O=S(=O)(c1ccc2nc(CCCCBr)[nH]c2c1)N1CCOCC1 ZINC000586972012 HE Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000586974596 HE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000586974599 HE Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3c(O)nc(S)nc3[nH]2)cc1OC ZINC000586976510 HE Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3c(O)nc(S)nc3[nH]2)cc1OC ZINC000586976515 HE Annotated Anodyne Cc1nn(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)c1Br ZINC000586978682 HE Annotated Anodyne Cc1nn(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)c1Br ZINC000586979374 HE Annotated Anodyne CCOc1n[nH]c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c1Br ZINC000586979745 HE Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586979798 HE Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586979866 HE Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586983842 HE Annotated Mild CC(=O)N[C@H](Cc1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986491 HE Annotated Mild CC(=O)N[C@@H](Cc1nc2nc(C#N)c(C#N)nc2[nH]1)c1ccc(Br)cc1 ZINC000586986493 HE Annotated Mild O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)ON1C(=O)CCC1=O ZINC000586988684 HE Annotated Mild N#Cc1nc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)nc-2[nH]c1C#N ZINC000586999453 HE Annotated Mild N=c1[nH]c2nc(CCN3C(=O)COc4cc(Br)ccc43)nc-2c(Cl)[nH]1 ZINC000586999500 HE Annotated Anodyne CCn1cc(Br)c(Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)n1 ZINC000586999569 HE Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(O)nc(N)nc4[nH]3)cc2cc1Br ZINC000586999712 HE Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)n1 ZINC000586999991 HE Annotated Anodyne Nc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1N ZINC000587000595 HE Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587002217 HE Annotated Anodyne NC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 ZINC000587002356 HE Annotated Anodyne NC(=O)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587003241 HE Annotated Anodyne N#Cc1nc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2nc1C#N ZINC000587004331 HE Annotated Mild N#Cc1nc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2nc1C#N ZINC000587004335 HE Annotated Mild Nc1nc(O)c2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2n1 ZINC000587006145 HE Annotated Anodyne O=c1c(-c2nc3c(O)nc(O)nc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006950 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587009023 HE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587009245 HE Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587012612 HE Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cs1 ZINC000587013885 HE Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cs1 ZINC000587014315 HE Annotated Anodyne O=C(Nc1nc(Cc2nc3c(O)nc(S)nc3[nH]2)cs1)c1cccc(O)c1 ZINC000587018986 HE Annotated Anodyne NNC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 ZINC000587019085 HE Annotated Reactive N=c1[nH]c2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc-2c(Cl)[nH]1 ZINC000587019152 HE Annotated Anodyne N#Cc1nc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2nc1C#N ZINC000587020145 HE Annotated Mild CC(C)(C)OC(=O)Nc1nnc(Cc2nc3nc(Br)c[nH]c-3n2)s1 ZINC000587023770 HE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)s1 ZINC000587024044 HE Annotated Anodyne COC(=O)c1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cn1 ZINC000587024199 HE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)s1 ZINC000587024324 HE Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)s1 ZINC000587024361 HE Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 ZINC000587024390 HE Annotated Anodyne COC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2n1 ZINC000587024627 HE Annotated Anodyne O=C(CCc1nc2c(S)nc(S)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024661 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587025474 HE Annotated Anodyne O=C(CCc1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025525 HE Annotated Anodyne O=C(CCc1nc2cc3c(cc2[nH]1)OCC(=O)N3)Nc1nnc(-c2ccncc2)s1 ZINC000587026463 HE Annotated Anodyne Cc1c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030032 HE Annotated Anodyne Cc1c(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030134 HE Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1)N1CCOCC1 ZINC000587032156 HE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 ZINC000587035258 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035681 HE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(-n5cnnn5)cc4[nH]3)cc12 ZINC000587038833 HE Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(-n5cnnn5)cc4[nH]3)cc12 ZINC000587038836 HE Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)C1=O ZINC000587039636 HE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)C1=O ZINC000587039638 HE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cc(I)cnc3[nH]2)C1=O ZINC000587039812 HE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc(I)cnc3[nH]2)C1=O ZINC000587039813 HE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C1=O ZINC000587039924 HE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C1=O ZINC000587039925 HE Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587040198 HE Annotated Mild CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000587040201 HE Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)NCCCC)cc3[nH]2)C1=O ZINC000587041351 HE Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)NCCCC)cc3[nH]2)C1=O ZINC000587041354 HE Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CSCC(=O)N4)[nH]c3c2)cc1 ZINC000587042604 HE Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4CSCC(=O)N4)[nH]c3c2)cc1 ZINC000587042605 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587043704 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587043705 HE Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000587043948 HE Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000587043949 HE Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587048652 HE Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587054756 HE Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587054759 HE Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587055308 HE Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587055311 HE Annotated Bother N[C@@H](Cc1ccccc1Cl)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587058870 HE Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1Cl ZINC000587059677 HE Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1Cl ZINC000587059678 HE Annotated Anodyne O=C(c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059773 HE Annotated Anodyne O=C(c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059775 HE Annotated Anodyne Nc1ncc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587060335 HE Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(O)nc(N)nc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063272 HE Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c[nH]c(=N)[nH]c-3n2)[C@H]1c1ccccc1Cl ZINC000587063678 HE Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1Cl ZINC000587064607 HE Annotated Anodyne Cc1c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074808 HE Annotated Anodyne Cc1onc(-c2nc3nc(N)nc(Cl)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079321 HE Annotated Bother Cc1onc(-c2nc3c(O)nc(S)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080095 HE Annotated Bother COc1ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(Cl)n1 ZINC000587084349 HE Annotated Anodyne N=c1[nH]c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc-2c(Cl)[nH]1 ZINC000587087854 HE Annotated Mild O=S(=O)(c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1)N1CCOCC1 ZINC000587088022 HE Annotated Anodyne O=S(=O)(c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1)N1CCOCC1 ZINC000587088030 HE Annotated Anodyne O=C(c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587088761 HE Annotated Anodyne O=C(c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587088765 HE Annotated Anodyne NNC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1 ZINC000587089128 HE Annotated Reactive N#Cc1nc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2nc1C#N ZINC000587089312 HE Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587089805 HE Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(F)(F)F ZINC000587091471 HE Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(F)(F)F ZINC000587091472 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091785 HE Annotated Bother CCOc1ccccc1[C@](N)(c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(F)(F)F ZINC000587091958 HE Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(F)(F)F ZINC000587091959 HE Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 ZINC000587092227 HE Annotated Bother CC(=O)CC(=O)NCCNC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103013 HE Annotated Anodyne COC(=O)c1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cn1 ZINC000587112715 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587113794 HE Annotated Anodyne COC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2n1 ZINC000587113815 HE Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(-n5cnnn5)cc4[nH]3)n2)cc1 ZINC000587114748 HE Annotated Anodyne O=C(c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587115537 HE Annotated Anodyne N#Cc1nc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2nc1C#N ZINC000587117228 HE Annotated Mild Nc1nc(O)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2n1 ZINC000587117466 HE Annotated Bother NNC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117862 HE Annotated Reactive Cn1nc(C(F)(F)F)cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587118654 HE Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587119112 HE Annotated Bother Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587119116 HE Annotated Bother FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)no2)n1 ZINC000587120007 HE Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587120065 HE Annotated Anodyne NS(=O)(=O)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587120326 HE Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2N1 ZINC000587122329 HE Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2N1 ZINC000587122332 HE Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2N1 ZINC000587122335 HE Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2N1 ZINC000587122337 HE Annotated Anodyne Cc1cc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123585 HE Annotated Mild C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2N1 ZINC000587124159 HE Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2N1 ZINC000587124163 HE Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2N1 ZINC000587124166 HE Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2N1 ZINC000587124168 HE Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2nc(Br)c[nH]c-2n1)C(F)(F)F ZINC000587127382 HE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587127785 HE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587128012 HE Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587128199 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)nc12 ZINC000587128522 HE Annotated Anodyne COC(=O)c1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cn1 ZINC000587128692 HE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587129037 HE Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(N)ncc5[nH]4)nc3n2)cn1 ZINC000587129101 HE Annotated Anodyne COC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2n1 ZINC000587129728 HE Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587129729 HE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnncc5[nH]4)nc3n2)cn1 ZINC000587129787 HE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ncc[nH]c-5n4)nc3n2)cn1 ZINC000587130326 HE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncnc5[nH]4)nc3n2)cn1 ZINC000587130665 HE Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(N)c5[nH]4)nc3n2)cn1 ZINC000587131210 HE Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC(F)(F)C1 ZINC000587131496 HE Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC(F)(F)C1 ZINC000587131589 HE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(S(N)(=O)=O)c3[nH]2)C(F)(F)C1 ZINC000587132760 HE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(S(N)(=O)=O)c3[nH]2)C(F)(F)C1 ZINC000587132767 HE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(S(N)(=O)=O)cc3[nH]2)C(F)(F)C1 ZINC000587133138 HE Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(S(N)(=O)=O)cc3[nH]2)C(F)(F)C1 ZINC000587133139 HE Annotated Anodyne COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc2c1 ZINC000587133822 HE Annotated Anodyne O=C(O)c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1F ZINC000587133862 HE Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1OC ZINC000587134298 HE Annotated Anodyne CN(C)C(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 ZINC000587134299 HE Annotated Anodyne O=C(O)c1cc(F)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134325 HE Annotated Anodyne O=S(=O)(NCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)c(F)c1F ZINC000587134392 HE Annotated Anodyne N#Cc1nc(Cl)cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587134613 HE Annotated Mild NS(=O)(=O)c1ccc(F)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587141698 HE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc(I)cnc3[nH]2)c1 ZINC000587141791 HE Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 ZINC000587142405 HE Annotated Anodyne O=C(c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587142538 HE Annotated Anodyne N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144946 HE Annotated Anodyne N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1F ZINC000587144947 HE Annotated Anodyne N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145510 HE Annotated Anodyne N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145513 HE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150667 HE Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150681 HE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587151358 HE Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 ZINC000587151361 HE Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154111 HE Annotated Anodyne N[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154112 HE Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587154113 HE Annotated Anodyne N[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587154114 HE Annotated Anodyne Nc1nc(O)c2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2n1 ZINC000587156403 HE Annotated Anodyne N=c1[nH]cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)nc-2[nH]1 ZINC000587157170 HE Annotated Anodyne Nc1nc(O)c2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 ZINC000587157986 HE Annotated Anodyne O=C(c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587160604 HE Annotated Bother NS(=O)(=O)c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 ZINC000587161278 HE Annotated Anodyne O=C1CC=C(c2nc3nc(Br)c[nH]c-3n2)NN1Cc1ccc(F)cc1 ZINC000587162325 HE Annotated Anodyne Nc1nc(O)c2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587167018 HE Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587167435 HE Annotated Anodyne CN(Cc1nc2nc(Br)c[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169307 HE Annotated Anodyne CN(C)CCOc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1 ZINC000587169397 HE Annotated Anodyne CN(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169620 HE Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)cc1 ZINC000587169817 HE Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2c1OC ZINC000587170047 HE Annotated Anodyne COC(=O)c1cc2[nH]c(CN(C)S(=O)(=O)c3ccc(F)cc3)nc2cc1OC ZINC000587170057 HE Annotated Anodyne CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170072 HE Annotated Bother Nc1nc(O)c2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587170132 HE Annotated Anodyne Nc1nc(O)c2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587170662 HE Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2c(O)nc(O)nc2[nH]1)c1ccc(F)cc1 ZINC000587170838 HE Annotated Anodyne O=S(=O)(c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1)N1CCOCC1 ZINC000587173691 HE Annotated Anodyne O=S(=O)(c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1)N1CCOCC1 ZINC000587173692 HE Annotated Anodyne O=C(c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587174184 HE Annotated Anodyne O=C(c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587174187 HE Annotated Anodyne O=C(c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587176125 HE Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1)N1CCOCC1 ZINC000587177064 HE Annotated Anodyne O=C(c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587177948 HE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587178563 HE Annotated Anodyne Cn1nc(-c2nc3c(Cl)ccnc3[nH]2)c(I)c1C(=O)O ZINC000587179622 HE Annotated Anodyne COc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1F ZINC000587179778 HE Annotated Anodyne COc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1F ZINC000587179858 HE Annotated Anodyne Cn1nc(-c2nc3c(F)cnc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587179885 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(Cl)cc2[nH]1 ZINC000587179899 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(Cl)cc2[nH]1 ZINC000587179932 HE Annotated Anodyne COc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(I)c1 ZINC000587180082 HE Annotated Mild Cn1nc(-c2nc3cncc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587180083 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Cl)ccc2[nH]1 ZINC000587180103 HE Annotated Anodyne Cn1nc(-c2nc3ccc(Cl)nc3[nH]2)c(I)c1C(=O)O ZINC000587180108 HE Annotated Anodyne Cn1nc(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c(I)c1C(=O)O ZINC000587180143 HE Annotated Mild Cn1nc(C(=O)O)c(I)c1-c1nc2nccc(Cl)c2[nH]1 ZINC000587180199 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)nccc2[nH]1 ZINC000587180362 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)ncc(F)c2[nH]1 ZINC000587180502 HE Annotated Anodyne Cn1nc(-c2nc3cc(Cl)cnc3[nH]2)c(I)c1C(=O)O ZINC000587180522 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587180539 HE Annotated Mild Cn1nc(-c2nc3cc(Cl)ncc3[nH]2)c(I)c1C(=O)O ZINC000587180541 HE Annotated Anodyne Cn1nc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(I)c1C(=O)O ZINC000587180582 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cc3[nH]ncc3cc2[nH]1 ZINC000587180601 HE Annotated Anodyne Cn1nc(-c2nc3ccnc(Cl)c3[nH]2)c(I)c1C(=O)O ZINC000587180732 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Cl)cncc2[nH]1 ZINC000587180743 HE Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587180858 HE Annotated Anodyne Cn1nc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c(I)c1C(=O)O ZINC000587181041 HE Annotated Bother CC(=O)c1ccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2c1 ZINC000587181538 HE Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587181679 HE Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587181680 HE Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c([N+](=O)[O-])cccc2[nH]1 ZINC000587181692 HE Annotated Bother CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000587181698 HE Annotated Mild CC[C@H](C)n1ncc(I)c1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000587181699 HE Annotated Mild COC(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2n1 ZINC000587181728 HE Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2n1 ZINC000587181729 HE Annotated Anodyne Cc1cc2[nH]c(-c3nc(O)nc(O)c3I)nc2cc1[N+](=O)[O-] ZINC000587181758 HE Annotated Bother COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1OC ZINC000587181771 HE Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cn1 ZINC000587181781 HE Annotated Anodyne COC(=O)c1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cn1 ZINC000587181782 HE Annotated Anodyne COc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F ZINC000587181819 HE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)n1 ZINC000587181873 HE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587181912 HE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587181913 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](C)n3ncc(I)c3C)nc12 ZINC000587181953 HE Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](C)n3ncc(I)c3C)nc12 ZINC000587181954 HE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587182108 HE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587182109 HE Annotated Anodyne COc1cc(OC)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587182409 HE Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587182736 HE Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1F ZINC000587182814 HE Annotated Bother Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)n1 ZINC000587183056 HE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3c(F)cnc(Cl)c3[nH]2)n1 ZINC000587183145 HE Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587183239 HE Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587183257 HE Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)n1 ZINC000587183276 HE Annotated Anodyne N=c1[nH]c2nc([C@H](N)Cc3ccc(I)cc3)nc-2c(Cl)[nH]1 ZINC000587183331 HE Annotated Anodyne N=c1[nH]c2nc([C@@H](N)Cc3ccc(I)cc3)nc-2c(Cl)[nH]1 ZINC000587183339 HE Annotated Anodyne NNC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587183994 HE Annotated Reactive NNC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1 ZINC000587183995 HE Annotated Reactive CC[C@H](c1nc2c(O)nc(S)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184015 HE Annotated Anodyne CC[C@@H](c1nc2c(O)nc(S)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184016 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(Cl)nc3[nH]2)cc1I ZINC000587184279 HE Annotated Anodyne CC[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184327 HE Annotated Mild CC[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)n1cc(I)c(C)n1 ZINC000587184332 HE Annotated Mild O=C(O)Cn1cc(I)c(-c2nc3cnc(Cl)cc3[nH]2)n1 ZINC000587184409 HE Annotated Anodyne COc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1C ZINC000587184510 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccnc(Cl)c3[nH]2)cc1I ZINC000587184521 HE Annotated Anodyne COc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1F ZINC000587184537 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cncc(Cl)c3[nH]2)cc1I ZINC000587184839 HE Annotated Anodyne COc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1F ZINC000587184894 HE Annotated Anodyne Cc1cnc(Cl)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c12 ZINC000587185007 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1I ZINC000587185010 HE Annotated Bother N[C@H](Cc1ccc(I)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587185012 HE Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587185019 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3c(Cl)ccnc3[nH]2)cc1I ZINC000587185311 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)ncc(F)c3[nH]2)n1 ZINC000587185312 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)cnc3[nH]2)cc1I ZINC000587185341 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Cl)nccc3[nH]2)n1 ZINC000587185359 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(F)cc(F)cc3[nH]2)n1 ZINC000587185464 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1I ZINC000587185482 HE Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cncc3[nH]2)n1 ZINC000587185488 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncc(Cl)cc3[nH]2)n1 ZINC000587185661 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3ccc(F)c(F)c3[nH]2)cc1I ZINC000587185713 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3c(F)cnc(Cl)c3[nH]2)cc1I ZINC000587185736 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)n1 ZINC000587185797 HE Annotated Bother O=C(O)Cn1cc(I)c(-c2nc3cc(F)c(F)cc3[nH]2)n1 ZINC000587185835 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(Cl)ncc3[nH]2)cc1I ZINC000587185839 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nc(Cl)ccc3[nH]2)n1 ZINC000587185842 HE Annotated Anodyne CC[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186059 HE Annotated Reactive CC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186062 HE Annotated Reactive O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)ccc3[nH]2)n1 ZINC000587186117 HE Annotated Anodyne COc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1C ZINC000587186129 HE Annotated Anodyne Cc1cnc(Cl)c2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc12 ZINC000587186257 HE Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nccnc3I)[nH]c2cc1[N+](=O)[O-] ZINC000587186272 HE Annotated Bother N=c1[nH]c2nc(-c3ccc4ncc(I)n4c3)nc-2c(Cl)[nH]1 ZINC000587186334 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)c(F)cc3[nH]2)cc1I ZINC000587186434 HE Annotated Anodyne CC[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)n1cc(I)c(C)n1 ZINC000587186480 HE Annotated Anodyne CC[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)n1cc(I)c(C)n1 ZINC000587186481 HE Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3nccc(Cl)c3[nH]2)n1 ZINC000587186525 HE Annotated Anodyne CC(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 ZINC000587186548 HE Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(F)cc(F)c3[nH]2)cc1I ZINC000587186551 HE Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nccnc3I)nc2cc1OC ZINC000587186756 HE Annotated Anodyne Brc1c[nH]c2nc(-c3nccnc3I)nc-2n1 ZINC000587186861 HE Annotated Anodyne COC(=O)c1ccc2nc(-c3nccnc3I)[nH]c2c1OC ZINC000587186877 HE Annotated Anodyne Ic1nccnc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587186913 HE Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587188892 HE Annotated Anodyne N#Cc1nc2nc(-c3ccc4ncc(I)n4c3)[nH]c2nc1C#N ZINC000587188959 HE Annotated Mild C[C@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587192329 HE Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587192330 HE Annotated Mild O=C(O)CCN(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Cc1ccccc1 ZINC000587193419 HE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C[C@H]1CCCO1 ZINC000587197832 HE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197833 HE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197873 HE Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197875 HE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587202323 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587202324 HE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587203821 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587203822 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587204892 HE Annotated Clean CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587204893 HE Annotated Clean CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587204928 HE Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587204929 HE Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(I)cc2[nH]1 ZINC000587205134 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(I)cc2[nH]1 ZINC000587205135 HE Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cccc(I)c2[nH]1 ZINC000587205136 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cccc(I)c2[nH]1 ZINC000587205137 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587205148 HE Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587205149 HE Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587205184 HE Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587205185 HE Annotated Anodyne O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587205723 HE Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587205726 HE Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)ccc1OCC(=O)NC(C)C ZINC000587217288 HE Annotated Anodyne CC1=C(c2ccc3nc(CNC(=O)[C@H](C)Oc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587223283 HE Annotated Anodyne CC1=C(c2ccc3nc(CNC(=O)[C@@H](C)Oc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587223284 HE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)cnc2[nH]1 ZINC000587226620 HE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(Br)ncc2[nH]1 ZINC000587226633 HE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587227000 HE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccnc(Br)c2[nH]1 ZINC000587227003 HE Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587227464 HE Annotated Bother O=C(CNC(=O)OCc1ccccc1)NCc1nc2cncc(Br)c2[nH]1 ZINC000587227581 HE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000587227910 HE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000587228209 HE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000587228574 HE Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000587228887 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C(=O)O)c3[nH]2)c1 ZINC000587229363 HE Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CNCCNCC(=O)O)[nH]c4c3)o2)cc1 ZINC000587229606 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 ZINC000587230099 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(C(=O)OC)c3[nH]2)c1 ZINC000587230481 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4cn[nH]c4cc3[nH]2)c1 ZINC000587230589 HE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587230708 HE Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587230710 HE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587230712 HE Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587230713 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 ZINC000587231212 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 ZINC000587231217 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000587231219 HE Annotated Bother Nc1nc(O)c2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2n1 ZINC000587231277 HE Annotated Anodyne CCNC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587231366 HE Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(CCO)cc3[nH]2)c1 ZINC000587231542 HE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CCC(=O)CC1 ZINC000587233791 HE Annotated Anodyne CC(=O)NC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCC(C)CC1 ZINC000587234364 HE Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587236123 HE Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587236124 HE Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587236125 HE Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587236126 HE Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCC(O)CC1 ZINC000587237826 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(N)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238331 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(N)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238333 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(N)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238334 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(N)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238336 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(O)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240460 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(O)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240461 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(O)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240462 HE Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(O)nc(O)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240463 HE Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000587245252 HE Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCOCCOCCN)nc2c1 ZINC000587245468 HE Annotated Anodyne NCCOCCOCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587245703 HE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)C2 ZINC000587246474 HE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)N(C)C)cc3[nH]1)C2 ZINC000587246479 HE Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)C2 ZINC000587247007 HE Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(S(=O)(=O)N(C)C)c3[nH]1)C2 ZINC000587247008 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587250657 HE Annotated Anodyne Cc1ccc(CCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1N ZINC000587250886 HE Annotated Anodyne Nc1ccc2oc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)cc2c1 ZINC000587252881 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587255269 HE Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587255661 HE Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(Br)cnc(Br)c3[nH]2)=C1N ZINC000587255743 HE Annotated Anodyne CC1(C)OC(=O)C(c2nc3c(I)cnc(Cl)c3[nH]2)=C1N ZINC000587255785 HE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587256288 HE Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc(I)cnc2[nH]1 ZINC000587257033 HE Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 ZINC000587259432 HE Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2c1 ZINC000587259709 HE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587260126 HE Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587260486 HE Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261020 HE Annotated Bother COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587261171 HE Annotated Bother Cc1c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261235 HE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261278 HE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261279 HE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261280 HE Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587261281 HE Annotated Bother O=CC(C=O)c1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587261513 HE Annotated Mild CC1=C(c2ccc3nc(-c4ccc(C(C=O)C=O)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 ZINC000587261623 HE Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587261632 HE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587261633 HE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587261634 HE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587261635 HE Annotated Bother COc1cc(OCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261759 HE Annotated Bother COc1cc(OCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587262254 HE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587262261 HE Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587262262 HE Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262657 HE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262660 HE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262664 HE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c2c1 ZINC000587262666 HE Annotated Bother COC(=O)c1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cn1 ZINC000587262782 HE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc([N+](=O)[O-])cnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262956 HE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4nc(Cl)c[nH]c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587262967 HE Annotated Bother COC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2n1 ZINC000587263298 HE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(I)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263415 HE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cncc([N+](=O)[O-])c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263416 HE Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(I)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263418 HE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(I)cnc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263420 HE Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc(I)cnc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263422 HE Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587263567 HE Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cnc(Cl)[nH]c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587263693 HE Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264256 HE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587264302 HE Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587264412 HE Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587264413 HE Annotated Mild CC1=C(c2ccc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 ZINC000587264610 HE Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587264675 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 ZINC000587264883 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 ZINC000587264884 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 ZINC000587264885 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(CCO)cc2[nH]1 ZINC000587264886 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 ZINC000587264961 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 ZINC000587264967 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 ZINC000587264968 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(S)nc(S)nc2[nH]1 ZINC000587264973 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587265080 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587265097 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587265100 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587265102 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587265429 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587265430 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587265431 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587265432 HE Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587265458 HE Annotated Bother COC(=O)c1ccnc2[nH]c([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587265460 HE Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)nc12 ZINC000587265462 HE Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)nc12 ZINC000587265464 HE Annotated Bother COCCOc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266017 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587266234 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587266237 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587266239 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587266243 HE Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587266441 HE Annotated Bother COCCNc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1[N+](=O)[O-] ZINC000587266460 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266639 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266642 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266643 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587266644 HE Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587266873 HE Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587266874 HE Annotated Bother COC(=O)c1ccc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2n1 ZINC000587266875 HE Annotated Bother COC(=O)c1ccc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2n1 ZINC000587266876 HE Annotated Bother COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 ZINC000587267019 HE Annotated Bother COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 ZINC000587267020 HE Annotated Bother COC(=O)c1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cn1 ZINC000587267021 HE Annotated Bother COC(=O)c1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cn1 ZINC000587267022 HE Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587267408 HE Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587267409 HE Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587267410 HE Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587267411 HE Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587269553 HE Annotated Bother N[C@@H](CCc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270042 HE Annotated Bother CC1=C(c2ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3c2)NNC(=O)C1 ZINC000587270292 HE Annotated Bother N[C@@H](CCc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270519 HE Annotated Bother O=[N+]([O-])c1cccc(CCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 ZINC000587270650 HE Annotated Bother N=c1[nH]c2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc-2c(Cl)[nH]1 ZINC000587270657 HE Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c12 ZINC000587270751 HE Annotated Bother O=C(c1ccc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587270786 HE Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000587270998 HE Annotated Bother CN(C)C(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587271012 HE Annotated Bother N#Cc1nc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2nc1C#N ZINC000587271080 HE Annotated Mild O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(Br)c2[nH]1 ZINC000587271265 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587271664 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587272097 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587272229 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587272518 HE Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587272770 HE Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587272991 HE Annotated Bother Cc1ccc2c(ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c32)n1 ZINC000587273446 HE Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 ZINC000587273907 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587273956 HE Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587274115 HE Annotated Bother CC(C)Oc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 ZINC000587274314 HE Annotated Bother CCOC(=O)c1cn(C)nc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275485 HE Annotated Anodyne CCOC(=O)c1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)nn1C ZINC000587275767 HE Annotated Anodyne CCOC(=O)c1cnn(C)c1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587275999 HE Annotated Anodyne CCOC(=O)c1cc(C(=O)c2c(CO)oc3cc(Br)cnc23)n(C)n1 ZINC000587277078 HE Annotated Anodyne CS(=O)(=O)c1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(S(C)(=O)=O)c1 ZINC000587280325 HE Annotated Bother CN1C[C@H](O)C2=CC(=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587343336 HE Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587343337 HE Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587343338 HE Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587343339 HE Annotated Mild CCOC(=O)[C@@H]1CCNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344484 HE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344489 HE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344491 HE Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344495 HE Annotated Anodyne N#CCNC(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346608 HE Annotated Mild N#CCNC(=O)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346610 HE Annotated Mild CN(C)/C=C/c1nc(O)c(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366756 HE Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587366760 HE Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587367486 HE Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587368307 HE Annotated Reactive O=C(CCl)N1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)CC1 ZINC000587368341 HE Annotated Reactive O=C(CI)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587368868 HE Annotated Reactive CC(C)(C)OC(=O)NCc1nc2nc(O)nc(O)c2cc1CCCC1OCCO1 ZINC000587369010 HE Annotated Anodyne COc1nc(C)c(-c2ccc3c(O)nc(O)nc3n2)cc1I ZINC000587369427 HE Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc(I)cc1 ZINC000587369452 HE Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(I)cc1 ZINC000587369614 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)O2 ZINC000587381950 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)O2 ZINC000587381951 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)O2 ZINC000587386895 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)O2 ZINC000587386902 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)O2 ZINC000587387952 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)O2 ZINC000587388056 HE Annotated Anodyne COc1ccc([C@]2(CNC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388124 HE Annotated Anodyne COc1ccc([C@@]2(CNC(=O)CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388125 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c(N)ccc(N)c2C(=O)c2c(N)ccc(N)c21 ZINC000587392163 HE Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587392643 HE Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587392644 HE Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393043 HE Annotated Anodyne COC(=O)C1=NN(c2ccc(OC)cc2)C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587393044 HE Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc3c(cc21)OCO3 ZINC000587393707 HE Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc3c(cc21)OCO3 ZINC000587393708 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)O2 ZINC000587394313 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)O2 ZINC000587394314 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCOCC3)nc3ccccn3c1=O)O2 ZINC000587394318 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCOCC3)nc3ccccn3c1=O)O2 ZINC000587394319 HE Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)CC2=O)cc1 ZINC000587394690 HE Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)CC2=O)cc1 ZINC000587394691 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCOCC3)nc3ccc(C)cn3c1=O)O2 ZINC000587396317 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCOCC3)nc3ccc(C)cn3c1=O)O2 ZINC000587396318 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)NCC13CN(C(=O)OC(C)(C)C)C3)O2 ZINC000587400952 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)NCC13CN(C(=O)OC(C)(C)C)C3)O2 ZINC000587400968 HE Annotated Anodyne CCOC(=O)[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OCC)CC1=O ZINC000587401911 HE Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401916 HE Annotated Anodyne CCOC(=O)[C@@H]1C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C(=O)OCC)CC1=O ZINC000587401917 HE Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)OCC)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587401918 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406940 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406942 HE Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(CC(=O)c3cc(C)cc(N)c3O2)C1 ZINC000587407668 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1S(=O)(=O)N1CCOCC1)O2 ZINC000587408039 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1S(=O)(=O)N1CCOCC1)O2 ZINC000587408041 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)O2 ZINC000587408096 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)O2 ZINC000587408097 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)O2 ZINC000587408098 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)O2 ZINC000587408099 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)O2 ZINC000587408358 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N(C)CC(=O)O)cc1)O2 ZINC000587408360 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)O2 ZINC000587408684 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1)O2 ZINC000587408689 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587408891 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587408893 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587409084 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587409105 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587409106 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587409107 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)O2 ZINC000587409219 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)O2 ZINC000587409223 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)O2 ZINC000587409227 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc1)O2 ZINC000587409229 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 ZINC000587409296 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 ZINC000587409298 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)O2 ZINC000587409619 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)N3CCN(C)CC3)cc1)O2 ZINC000587409624 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)O2 ZINC000587409928 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)O2 ZINC000587409929 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)O2 ZINC000587410547 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)O2 ZINC000587410548 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587411079 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 ZINC000587411083 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC1)O2 ZINC000587411105 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(C)=O)nn1)[C@@H](C2)C3=O ZINC000587412151 HE Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(C)=O)nn1)[C@@H](C2)C3=O ZINC000587412162 HE Annotated Reactive COC(=O)[C@@]1(c2nc(N)sc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413834 HE Annotated Anodyne COC(=O)[C@]1(c2nc(N)sc2Br)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413835 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)O2 ZINC000587414697 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)O2 ZINC000587414698 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)O2 ZINC000587414699 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)O2 ZINC000587414700 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587415322 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587415325 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587415326 HE Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587415327 HE Annotated Anodyne COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421941 HE Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421948 HE Annotated Anodyne COC(=O)[C@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421950 HE Annotated Anodyne COC(=O)[C@@]1(O)Cc2cc(Cl)ccc2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587421953 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425985 HE Annotated Anodyne COc1cc2c3c(c1)O[C@](CNC(=O)CCC(=O)O)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587425986 HE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)[C@@H](C2)C3=O ZINC000587428244 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)[C@@H](C2)C3=O ZINC000587428247 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N(c4ccc(F)cc4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587429655 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N(c4ccc(F)cc4)N=C1C(=O)O)[C@@H](C2)C3=O ZINC000587429670 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)NCCC(=O)O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587430180 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C(=O)NCCC(=O)O)Oc4ccccc41)[C@@H](C2)C3=O ZINC000587430193 HE Annotated Anodyne CCn1nc(C)c([C@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431734 HE Annotated Anodyne CCn1nc(C)c([C@@]2(CC(=O)C(=O)OC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587431741 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434698 HE Annotated Bother COC(=O)C(=O)C[C@@]1(c2ccccc2[N+](=O)[O-])Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434699 HE Annotated Bother COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435529 HE Annotated Anodyne COC(=O)C1=NN(c2ccc(C)cc2)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435531 HE Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435615 HE Annotated Anodyne COC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435617 HE Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435618 HE Annotated Anodyne COC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435620 HE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435720 HE Annotated Anodyne COC(=O)[C@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435721 HE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435722 HE Annotated Anodyne COC(=O)[C@H]1C[C@]2(CN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587435723 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436706 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCN(CC(=O)OC(C)(C)C)[C@H](C(=O)O)C1)[C@@H](C2)C3=O ZINC000587436713 HE Annotated Anodyne CCN1N=C(C(=O)O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc3c(cc21)OCO3 ZINC000587436715 HE Annotated Anodyne CCN1N=C(C(=O)O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc3c(cc21)OCO3 ZINC000587436723 HE Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@]3(CC2=O)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587436729 HE Annotated Anodyne COc1ccc(N2N=C(C(=O)O)[C@@]3(CC2=O)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587436731 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(N4CCOCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587437057 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(N4CCOCC4)nc4ccccn4c1=O)[C@@H](C2)C3=O ZINC000587437060 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)ON4C(=O)CCC4=O)c1)[C@@H](C2)C3=O ZINC000587437575 HE Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)ON4C(=O)CCC4=O)c1)[C@@H](C2)C3=O ZINC000587437580 HE Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCc4nnnn4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587437936 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4nnnn4C)c(OC)c1)[C@@H](C2)C3=O ZINC000587437937 HE Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438475 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438478 HE Annotated Anodyne CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438480 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438483 HE Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438641 HE Annotated Anodyne CCOC(=O)C1CCN(C(=O)C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1 ZINC000587438643 HE Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438724 HE Annotated Anodyne CCN1C(=O)c2cc(OC)cc(OC)c2[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438730 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438818 HE Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438821 HE Annotated Anodyne CCOC(=O)[C@H]1CN(C(=O)OCC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438822 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(C(=O)OCC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438825 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)ON4C(=O)CCC4=O)cc1)[C@@H](C2)C3=O ZINC000587440291 HE Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)ON4C(=O)CCC4=O)cc1)[C@@H](C2)C3=O ZINC000587440293 HE Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(-n4cc(C#N)c(O)nc4=O)cc1)[C@@H](C2)C3=O ZINC000587441044 HE Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(-n4cc(C#N)c(O)nc4=O)cc1)[C@@H](C2)C3=O ZINC000587441059 HE Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587442977 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587442980 HE Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587445234 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587445248 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H](C2)C3=O ZINC000587447560 HE Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CCS(C)(=O)=O)c1C)[C@@H](C2)C3=O ZINC000587447561 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1S(=O)(=O)N1CCOCC1)[C@@H](C2)C3=O ZINC000587447730 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccccc1S(=O)(=O)N1CCOCC1)[C@@H](C2)C3=O ZINC000587447731 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587447767 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O ZINC000587447768 HE Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587447905 HE Annotated Bother COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc([N+](=O)[O-])cc1)[C@@H](C2)C3=O ZINC000587447906 HE Annotated Bother COc1cc2c3c(c1)O[C@]1(CCCc4nc(O)c(S(C)(=O)=O)cc41)[C@@H](C2)C3=O ZINC000587448025 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(O)c(S(C)(=O)=O)cc41)[C@@H](C2)C3=O ZINC000587448030 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587448379 HE Annotated Unstable COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(S(=O)(=O)Cl)cc41)[C@@H](C2)C3=O ZINC000587448381 HE Annotated Unstable COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448454 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC)c(S(N)(=O)=O)c1)[C@@H](C2)C3=O ZINC000587448457 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449281 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587449287 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(COP(=O)(O)O)cnc(C)c1O)[C@@H](C2)C3=O ZINC000587449464 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(COP(=O)(O)O)cnc(C)c1O)[C@@H](C2)C3=O ZINC000587449472 HE Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(S(=O)(=O)c4c(C)n[nH]c4C)CC1)[C@@H](C2)C3=O ZINC000587449646 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H]1O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@H]41)[C@@H](C2)C3=O ZINC000587450250 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@H]41)[C@@H](C2)C3=O ZINC000587450253 HE Annotated Anodyne CCOc1ccccc1S(=O)(=O)N1CC2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587450863 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587453462 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587453467 HE Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587453470 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn([C@H]4CCS(=O)(=O)C4)c1C)[C@@H](C2)C3=O ZINC000587453473 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454247 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCO3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454252 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@H]4OC(C)(C)O[C@@H]4CO[C@]14COC(C)(C)O4)[C@@H](C2)C3=O ZINC000587454900 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587454901 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4OC(C)(C)O[C@@H]4CO[C@]14COC(C)(C)O4)[C@@H](C2)C3=O ZINC000587454902 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 ZINC000587454903 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587455071 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587455072 HE Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587455073 HE Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000587455074 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)CC2=O ZINC000587469722 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)CC2=O ZINC000587469726 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)CC2=O ZINC000587469728 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)CC2=O ZINC000587469730 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OC)nc(N)nc1N1CCOCC1)CC2=O ZINC000587473723 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OC)nc(N)nc1N1CCOCC1)CC2=O ZINC000587473724 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCOCC3)cc1)(C(O)O)CC2=O ZINC000587473732 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCOCC3)cc1)(C(O)O)CC2=O ZINC000587473733 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cnn(C)c1C)CC2=O ZINC000587474771 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cnn(C)c1C)CC2=O ZINC000587474773 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cn(C)nc1C)CC2=O ZINC000587474980 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cn(C)nc1C)CC2=O ZINC000587474981 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(=O)n(C)c(=O)n(C)c3n1C)CC2=O ZINC000587474994 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(=O)n(C)c(=O)n(C)c3n1C)CC2=O ZINC000587474995 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccn2)C[C@H]1C(=O)OC ZINC000587478627 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccn2)C[C@@H]1C(=O)OC ZINC000587478631 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccn2)C[C@H]1C(=O)OC ZINC000587478635 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccn2)C[C@@H]1C(=O)OC ZINC000587478647 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(O)c(C(=O)OC)c1)(C(O)O)CC2=O ZINC000587483260 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(O)c(C(=O)OC)c1)(C(O)O)CC2=O ZINC000587483275 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)CC2=O ZINC000587488860 HE Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)NCC(=O)O)cc1)CC2=O ZINC000587488863 HE Annotated Anodyne COC(=O)CON=C(C(=O)O)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497515 HE Annotated Reactive COC(=O)CON=C(C(=O)O)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497532 HE Annotated Reactive Cn1c(=O)c2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c2n(C)c1=O ZINC000587515369 HE Annotated Anodyne Cn1c(=O)c2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c2n(C)c1=O ZINC000587515370 HE Annotated Anodyne COC(=O)c1nnn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587517098 HE Annotated Anodyne COC(=O)c1nnn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C(=O)OC ZINC000587517099 HE Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517975 HE Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517976 HE Annotated Anodyne COC(=O)[C@H]1CN(Cc2ccccn2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517977 HE Annotated Anodyne COC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587517978 HE Annotated Anodyne COc1nc(N)nc(N2CCOCC2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519326 HE Annotated Anodyne COc1nc(N)nc(N2CCOCC2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519327 HE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522869 HE Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)CC1=O ZINC000587522875 HE Annotated Anodyne COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587522877 HE Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C(=O)OC)CC1=O ZINC000587523366 HE Annotated Anodyne O=C1C[C@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587525476 HE Annotated Anodyne O=C1C[C@@](C(=O)O)(c2ccc3[nH]c(=O)c(=O)[nH]c3c2)Oc2c1ccc1c2CCCC1 ZINC000587525498 HE Annotated Anodyne O=C1C[C@@H]([C@H](O)[C@H](O)[C@H](O)COCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587534116 HE Annotated Anodyne O=C1C[C@H]([C@H](O)[C@H](O)[C@H](O)COCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587534122 HE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587545126 HE Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1Cl ZINC000587545127 HE Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@@H]1Cl ZINC000587545128 HE Annotated Reactive O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1Cl ZINC000587545129 HE Annotated Reactive O=C1C=C(C(F)(F)F)N[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)N1 ZINC000587558009 HE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)N1 ZINC000587558011 HE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)N1 ZINC000587558013 HE Annotated Anodyne O=C1C=C(C(F)(F)F)N[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)N1 ZINC000587558014 HE Annotated Anodyne CCOC(=O)C1(c2ccc3c(O)nc(O)nc3n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587558479 HE Annotated Anodyne CCOC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc(OC)c(OC)c1OC ZINC000587558634 HE Annotated Anodyne CCOC(=O)c1c(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)sc(C)c1C ZINC000587562710 HE Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)cc1 ZINC000587563640 HE Annotated Mild Cc1ccc(S(=O)(=O)OC[C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)cc1 ZINC000587563644 HE Annotated Mild COc1cc(C)ccc1OCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587563977 HE Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587564385 HE Annotated Anodyne COc1cc(C)ccc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587565151 HE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587567672 HE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587568001 HE Annotated Bother CCOC(=O)CCOCCCOCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587568473 HE Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587569978 HE Annotated Anodyne CN(CC(=O)O)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587571481 HE Annotated Anodyne CN(CC(=O)O)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587571482 HE Annotated Anodyne CN(CC(=O)O)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587571483 HE Annotated Anodyne CN(CC(=O)O)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587571484 HE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(O)O ZINC000587573916 HE Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(O)O ZINC000587573917 HE Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(O)O ZINC000587573919 HE Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(O)O ZINC000587573920 HE Annotated Bother Cn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587579697 HE Annotated Anodyne Cn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587579700 HE Annotated Anodyne Cn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 ZINC000587579702 HE Annotated Anodyne Cn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 ZINC000587579704 HE Annotated Anodyne C[C@]1(CC(=O)ON2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580675 HE Annotated Mild C[C@@]1(CC(=O)ON2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580677 HE Annotated Mild C[C@@]1(CC(=O)ON2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580678 HE Annotated Mild C[C@]1(CC(=O)ON2C(=O)CCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580680 HE Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581506 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581507 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587581508 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587581509 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581850 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581851 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581852 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581853 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582968 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582969 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582970 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582971 HE Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587583738 HE Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587583739 HE Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587583740 HE Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587583741 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583974 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583975 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583976 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583977 HE Annotated Anodyne NC(=O)c1cnn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587584471 HE Annotated Anodyne NC(=O)c1cnn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587584472 HE Annotated Anodyne NC(=O)c1cnn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 ZINC000587584473 HE Annotated Anodyne NC(=O)c1cnn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 ZINC000587584474 HE Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590664 HE Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590668 HE Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590671 HE Annotated Anodyne O=C(O)c1cnc2n(c1=O)C=CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590674 HE Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591459 HE Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591465 HE Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591469 HE Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591473 HE Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592916 HE Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592922 HE Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592923 HE Annotated Anodyne O=C(O)C1=C2CCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592924 HE Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593296 HE Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593297 HE Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593298 HE Annotated Anodyne COC(=O)C[C@H](C(=O)OC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593299 HE Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595264 HE Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595265 HE Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595266 HE Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595267 HE Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595268 HE Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595269 HE Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587599079 HE Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587599080 HE Annotated Anodyne NC(=O)CN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587599081 HE Annotated Anodyne NC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587599082 HE Annotated Anodyne O=C1C(=O)[C@H](O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587606327 HE Annotated Clean O=C1C(=O)[C@H](O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587606343 HE Annotated Clean O=C1C(=O)[C@H](O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587606345 HE Annotated Clean O=C1C(=O)[C@H](O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587606346 HE Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587609624 HE Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1O ZINC000587609625 HE Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]1O ZINC000587609626 HE Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1O ZINC000587609627 HE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCO2)C(O)O ZINC000587610094 HE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCO2)C(O)O ZINC000587610096 HE Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCO2)C(O)O ZINC000587610098 HE Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCO2)C(O)O ZINC000587610100 HE Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(N)=O)c2c1 ZINC000587620899 HE Annotated Bother Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc(F)ccc23)c1=O ZINC000587637132 HE Annotated Anodyne Cn1c(=O)n(C)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cccc(F)c23)c1=O ZINC000587637175 HE Annotated Anodyne CCn1nc(C)c(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(=O)OC)c1C ZINC000587649870 HE Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)n1 ZINC000587651032 HE Annotated Anodyne Cn1cc(I)c(C(=O)n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587651829 HE Annotated Anodyne O=C(c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652281 HE Annotated Bother Cn1ncc(I)c1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652524 HE Annotated Anodyne O=C(c1n[nH]cc1I)n1ncc2ccc(Cl)cc2c1=O ZINC000587652631 HE Annotated Anodyne O=C(c1cc(N2CCOCC2)ccc1[N+](=O)[O-])n1ncc2ccc(Cl)cc2c1=O ZINC000587653134 HE Annotated Bother Cc1ccc(S(=O)(=O)N(C)CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587653600 HE Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000587654603 HE Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCC(=O)n3ncc4ccc(Cl)cc4c3=O)SC[C@@H]2N1 ZINC000587654671 HE Annotated Anodyne CN(C)S(=O)(=O)c1ccc2oc(-n3ncc4ccc(Cl)cc4c3=O)nc2c1 ZINC000587654829 HE Annotated Anodyne O=C(c1ccccc1)N1CCN(CC(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587654945 HE Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CC(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587654982 HE Annotated Anodyne O=C(Cc1cc(O)nc(O)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655888 HE Annotated Anodyne Cn1cc(C(=O)O)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655953 HE Annotated Anodyne CCN=c1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)[nH]c(=NCC)[nH]1 ZINC000587656745 HE Annotated Anodyne O=C(Cn1cnc([N+](=O)[O-])n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657032 HE Annotated Bother O=C([C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658031 HE Annotated Anodyne O=C([C@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658035 HE Annotated Anodyne NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1 ZINC000587658062 HE Annotated Anodyne O=C(N[C@@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658832 HE Annotated Anodyne O=C(N[C@H]1CCS(=O)(=O)C1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658837 HE Annotated Anodyne CNC(=O)c1nc[nH]c1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658873 HE Annotated Anodyne NNC(=O)CCSCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660416 HE Annotated Reactive CS(=O)(=O)N1CCC[C@H]1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661634 HE Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661635 HE Annotated Anodyne O=C(CCn1cnc([N+](=O)[O-])n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661936 HE Annotated Bother CCN=c1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)[nH]c(=NCC)[nH]1 ZINC000587662320 HE Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nncc(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664674 HE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666985 HE Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587667373 HE Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cnn[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587668055 HE Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(S)n3N)c(=O)c3ccccc23)c(O)c1 ZINC000587668641 HE Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(S)n3N)c(=O)c3ccccc23)cc1OCC ZINC000587669903 HE Annotated Anodyne CCOc1ccc(-c2nn(CCS(N)(=O)=O)c(=O)c3ccccc23)cc1OCC ZINC000587670272 HE Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cnnn3)c(=O)c3ccccc23)cc1OCC ZINC000587670288 HE Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587670890 HE Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587703088 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587703100 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587703101 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587703102 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587706079 HE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587706080 HE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587706081 HE Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587706082 HE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587706460 HE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587706462 HE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl ZINC000587706467 HE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl ZINC000587706469 HE Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587706988 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587706989 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587706990 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587706991 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587708106 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587708109 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587708113 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)n(C)c(=O)n(C)c2=O)N1 ZINC000587708117 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587708151 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587708152 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587708155 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(C(F)(F)F)N1 ZINC000587708156 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587753964 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587753979 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587753982 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587753986 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587754611 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587754612 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587754613 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CN(CC(=O)O)C=C2[N+](=O)[O-])N1 ZINC000587754614 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754791 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754802 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754804 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754806 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755570 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755582 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755583 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755584 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587758184 HE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587758185 HE Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587758186 HE Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587758187 HE Annotated Mild CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758586 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758588 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758590 HE Annotated Anodyne CCOC(=O)[C@H](NC(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758592 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587759274 HE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587759276 HE Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587759278 HE Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)ON2C(=O)CCC2=O)N1 ZINC000587759279 HE Annotated Mild COC(=O)C(=O)C[C@@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759695 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759699 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759701 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587759703 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760462 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760463 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760464 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587760465 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761807 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccnn2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761808 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761809 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccnn2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587761810 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762340 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762341 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762342 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587762343 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587762885 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587762889 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587762891 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587762893 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763386 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763387 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763388 HE Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587763389 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587763584 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587763585 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587763586 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCOCC2)(c2cnn(C)c2)N1 ZINC000587763587 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763708 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763709 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763710 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763711 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763800 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763801 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763802 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763803 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764112 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764113 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764114 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764115 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764179 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764180 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764181 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764182 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764376 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764378 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764380 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764381 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC(=O)NCC#N)CC2)N1 ZINC000587764992 HE Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(CC(=O)NCC#N)CC2)N1 ZINC000587765005 HE Annotated Mild COC(=O)[C@@]1(CC(=O)c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765305 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765308 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765309 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587765311 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765372 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccn(C)n2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765373 HE Annotated Anodyne COC(=O)[C@]1(CC(=O)c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765377 HE Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2ccn(C)n2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587765380 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587766119 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587766120 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587766121 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587766123 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768029 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768032 HE Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768036 HE Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768038 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587768534 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587768537 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587768541 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CC(N)=O)c1ccccc12 ZINC000587768544 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC(=O)NCC#N)CC2)N1 ZINC000587770189 HE Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(CC(=O)NCC#N)CC2)N1 ZINC000587770190 HE Annotated Mild CCOc1ccccc1OCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587780745 HE Annotated Anodyne COc1ccc(C=O)cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587786713 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587793186 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587793190 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587793191 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587793192 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793624 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793625 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793626 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793627 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793987 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793992 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587793997 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC=Cn3c2ncc(C(=O)O)c3=O)N1 ZINC000587794003 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)N[C@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587795179 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)N[C@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587795189 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)N[C@@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587795195 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)N[C@@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587795200 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587798884 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587798886 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587798888 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3c(C(N)=O)cnn3c2)N1 ZINC000587798890 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)N[C@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587800053 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)N[C@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587800055 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)N[C@@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587800058 HE Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)N[C@@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587800062 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821466 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821467 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821468 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587821469 HE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(O)(O)C2=O ZINC000587821470 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(O)(O)C2=O ZINC000587821471 HE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(O)(O)C2=O ZINC000587821472 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(O)(O)C2=O ZINC000587821473 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(O)(O)C2=O ZINC000587822419 HE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(O)(O)C2=O ZINC000587822421 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(O)(O)C2=O ZINC000587822423 HE Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(O)(O)C2=O ZINC000587822425 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823787 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823789 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823791 HE Annotated Anodyne COc1ccc2c(c1)C(=O)C(O)(O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823794 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2O ZINC000587833067 HE Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2O ZINC000587833075 HE Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2O ZINC000587833080 HE Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2O ZINC000587833085 HE Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587833959 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587833960 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587833961 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587833962 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587834255 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587834256 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587834257 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(C(O)O)N1 ZINC000587834258 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587834992 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587834993 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587834994 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587834995 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587835445 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587835446 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](O)C(=O)c1ccccc12 ZINC000587835447 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](O)C(=O)c1ccccc12 ZINC000587835448 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2O ZINC000587835473 HE Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2O ZINC000587835474 HE Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2O ZINC000587835475 HE Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2O ZINC000587835476 HE Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587838315 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587838316 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587838317 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587838318 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587838397 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587838398 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587838399 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587838400 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587840150 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587840151 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587840152 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587840153 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587840638 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587840639 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587840640 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(S(=O)(=O)N(C)C)cn2)N1 ZINC000587840641 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587840670 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587840671 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587840672 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2S(=O)(=O)N(C)C)N1 ZINC000587840673 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587843398 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587843399 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587843400 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2S(=O)(=O)N(C)C)N1 ZINC000587843401 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587850832 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587850833 HE Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587850834 HE Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587850835 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587851032 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587851033 HE Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587851034 HE Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H]2OC(C)(C)O[C@H]2CO)N1 ZINC000587851035 HE Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000587859762 HE Annotated Anodyne CCN=c1nc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)[nH]c(=NCC)[nH]1 ZINC000587863399 HE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000587863472 HE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000587863475 HE Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1ncn2nccc2c1=O ZINC000587864401 HE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN(C)S(C)(=O)=O ZINC000587867034 HE Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000587867123 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNC(=O)c1cccnc1 ZINC000587867582 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1cnc([N+](=O)[O-])n1 ZINC000587868733 HE Annotated Bother COC(=O)c1cnn(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 ZINC000587869309 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000587869617 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000587869618 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN2CCC[C@H]2C1 ZINC000587869815 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN2CCC[C@@H]2C1 ZINC000587869818 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCCN1CCOCC1 ZINC000587869938 HE Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCSCCC(=O)NN ZINC000587870086 HE Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCN1C(=O)C=CC1=O ZINC000587870247 HE Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1 ZINC000587871557 HE Annotated Reactive O=S(=O)(c1cccnc1-n1nc2cc1oc1ccc(F)cc21)N1CCOCC1 ZINC000587875267 HE Annotated Anodyne CCOC(=O)c1nn(C(=O)c2ccc(-n3cncn3)cc2Cl)c(OCC)c1C#N ZINC000587875467 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)n2cc(Br)c(C)n2)c(OCC)c1C#N ZINC000587875746 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)n2cc(Br)c(C)n2)c(OCC)c1C#N ZINC000587875747 HE Annotated Mild CN1CCN(S(=O)(=O)c2ccc(-n3nc4cc3oc3ccc(F)cc43)nc2)CC1 ZINC000587875825 HE Annotated Anodyne CCOC(=O)c1nn(C(=O)Cn2nc(C)c(Br)c2C)c(OCC)c1C#N ZINC000587876196 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)Cn2cc(Br)cn2)c(OCC)c1C#N ZINC000587876362 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)Cn2cc(Br)cn2)c(OCC)c1C#N ZINC000587876366 HE Annotated Mild O=S(=O)(c1ccc(-n2nc3cc2oc2ccc(F)cc32)nc1)N1CCOCC1 ZINC000587876402 HE Annotated Anodyne CN1CCN(S(=O)(=O)c2cccnc2-n2nc3cc2oc2ccc(F)cc32)CC1 ZINC000587876409 HE Annotated Anodyne CCOC(=O)c1nn(C(=O)CCn2ncc(Br)c2C)c(OCC)c1C#N ZINC000587876578 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@@H](C)n2cc(Br)cn2)c(OCC)c1C#N ZINC000587877075 HE Annotated Mild CCOC(=O)c1nn(C(=O)[C@H](C)n2cc(Br)cn2)c(OCC)c1C#N ZINC000587877076 HE Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c([N+](=O)[O-])c1 ZINC000587877513 HE Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)c1 ZINC000587878777 HE Annotated Reactive Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCC(=O)NN ZINC000587881263 HE Annotated Reactive COC(=O)c1cnc(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1O ZINC000587881536 HE Annotated Mild CNc1nc(OC)c(C(=O)O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881557 HE Annotated Mild COC(=O)c1nc(OC)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881605 HE Annotated Mild CN(C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)O)n1 ZINC000587881654 HE Annotated Mild C[C@@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)NN ZINC000587881782 HE Annotated Reactive C[C@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)NN ZINC000587881783 HE Annotated Reactive CN[C@H](C(N)=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882764 HE Annotated Mild CN[C@@H](C(N)=O)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587882772 HE Annotated Mild NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000587883114 HE Annotated Reactive Cn1c(=O)c(=O)[nH]c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884527 HE Annotated Mild COc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc(N)c1C(=O)O ZINC000587885411 HE Annotated Mild C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)NN ZINC000587886240 HE Annotated Reactive C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)NN ZINC000587886241 HE Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@@H](O)CO)cc1 ZINC000587886490 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@H](O)CO)cc1 ZINC000587886496 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(NCCO)c([N+](=O)[O-])c1 ZINC000587887107 HE Annotated Mild NC(=O)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000587887205 HE Annotated Mild CC(=O)NCCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887208 HE Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1C#CCO ZINC000587887396 HE Annotated Mild CCOC(=O)CNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887485 HE Annotated Mild CN(C)CCNc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887618 HE Annotated Mild COCCCNc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887634 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(O[C@H]2CCNC2)nc1 ZINC000587887670 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(O[C@@H]2CCNC2)nc1 ZINC000587887671 HE Annotated Mild Nc1nc(O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2n1 ZINC000587888242 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)nn2c1OCCC2 ZINC000587888657 HE Annotated Mild N=c1[nH]c(=N)c2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc2[nH]1 ZINC000587889026 HE Annotated Mild CCOC(=O)c1nn2c(c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)OCC2 ZINC000587889097 HE Annotated Mild NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(N)nc2c1 ZINC000587890269 HE Annotated Mild O=C(O)CNC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890467 HE Annotated Mild N=c1nc2[nH][nH]c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c-2c(Cl)n1 ZINC000587890577 HE Annotated Mild CCCCn1c(N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)nc1=O ZINC000587890629 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)[C@@H](O)OC1=O ZINC000587890635 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)[C@H](O)OC1=O ZINC000587890636 HE Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)n(N)c(=O)c1C#N ZINC000587890658 HE Annotated Mild COC(=O)CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1=O ZINC000587890681 HE Annotated Mild C[C@@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1)C(=O)O ZINC000587890773 HE Annotated Mild C[C@H](NC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1)C(=O)O ZINC000587890774 HE Annotated Mild CN(CC(=O)O)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587890814 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c2nnnn2c1 ZINC000587890978 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)C(=O)O[C@@H]1O ZINC000587891062 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)C(=O)O[C@H]1O ZINC000587891063 HE Annotated Mild CCOC(=O)Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1=O ZINC000587891091 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn2cc(C(=O)O)nc2cn1 ZINC000587891173 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(CO)cc(=O)n2c1 ZINC000587891228 HE Annotated Mild O=C(O)CCn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1=O ZINC000587891345 HE Annotated Mild NS(=O)(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894122 HE Annotated Mild NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F ZINC000587894652 HE Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)NS2(=O)=O ZINC000587896595 HE Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(=O)(=O)O)cnc1O ZINC000587896748 HE Annotated Mild NS(=O)(=O)Cc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896800 HE Annotated Mild NS(=O)(=O)Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896818 HE Annotated Mild COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC ZINC000587934154 HE Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(CCC(=O)O)c3O)cc2Br)CC1 ZINC000587935267 HE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587935672 HE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1c(N)cccc1Br ZINC000587936547 HE Annotated Anodyne CN1CCN(c2ccc(-n3c(O)cc(CC(=O)O)c3O)cc2Br)CC1 ZINC000587936610 HE Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-])C(=O)O ZINC000587936843 HE Annotated Bother O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587937034 HE Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587937036 HE Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cccc(Br)c2N)c1OC ZINC000587937433 HE Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937473 HE Annotated Bother O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937475 HE Annotated Bother COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2c(N)cccc2Br)c1OC ZINC000587937670 HE Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cccc(Br)c1N ZINC000587937699 HE Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587938826 HE Annotated Anodyne COC(=O)c1cc(OC)n(-c2nn(-c3ncccn3)cc2Br)c1OC ZINC000587938892 HE Annotated Anodyne CCOc1cc(-n2c(O)cc([C@@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1C(=O)O ZINC000587940090 HE Annotated Anodyne CCOc1cc(-n2c(O)cc([C@H](CC(=O)O)C(=O)O)c2O)c(Cl)cc1C(=O)O ZINC000587940097 HE Annotated Anodyne O=C1Cc2c3c(n(-c4cc(Br)cnc4Br)c2O1)OC(=O)C3 ZINC000587940137 HE Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587940723 HE Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587940724 HE Annotated Anodyne CN(C)[C@@H](Cn1c2c(c3c1OC(=O)C3)CC(=O)O2)c1cccc(Br)c1 ZINC000587941329 HE Annotated Anodyne CN(C)[C@H](Cn1c2c(c3c1OC(=O)C3)CC(=O)O2)c1cccc(Br)c1 ZINC000587941330 HE Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccnc(Br)c2)c1OC ZINC000587941350 HE Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccnc(Br)c2)c1OC ZINC000587941690 HE Annotated Anodyne CC(=O)SCc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587941783 HE Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1cc2cnccc2c(Br)n1)C(=O)O ZINC000587942332 HE Annotated Anodyne O=C(O)Cc1c(CC(=O)O)c(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943895 HE Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587944681 HE Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587944684 HE Annotated Anodyne O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc([C@H](CC(=O)O)C(=O)O)c1O ZINC000587944686 HE Annotated Anodyne O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc([C@@H](CC(=O)O)C(=O)O)c1O ZINC000587944688 HE Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl)C(=O)O ZINC000587944805 HE Annotated Anodyne O=C(O)CCc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587944840 HE Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945922 HE Annotated Anodyne O=C1Cc2c3c(n(-c4nn(COc5ccccc5F)cc4Cl)c2O1)OC(=O)C3 ZINC000587946751 HE Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587946956 HE Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587946957 HE Annotated Anodyne O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]1)(C3)C2 ZINC000587968474 HE Annotated Anodyne COc1c([S@](C)=O)c2c3c4c(cc[n+](C)c1-3)c1cc(O)ccc1n4[C@H](NC(C)=O)C2 ZINC000059203988 HE Annotated Clean C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](OC(C)=O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 ZINC000059204194 HE Annotated Bother COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])C/C(=C/CO)[C@H](C[C@@H]14)[C@H]1CCC(=O)N2[C@H]13 ZINC000059586511 HE Annotated Bother in-vitro biogenic C=C1N=c2ccccc2=C2C(=O)N3CCC[C@H]3[C@H](c3cc(OC)c(O)c(OC)c3)[C-]12 ZINC000059587492 HE Annotated Anodyne in-vitro biogenic CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@H]32 ZINC000006001998 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000006001999 HE Annotated Anodyne CCOC(=O)[C@@H]1ON2O[C@@H](O[C@@H]3CCCC[C@@H]3c3ccccc3)C[C@H]3OC(=O)[C@@H]1[C@@H]32 ZINC000006002001 HE Annotated Anodyne COc1cc([C@@]23OC[C@@H](Cc4cc5c(cc42)OCO5)[C@@H]3CO)cc(OC)c1OC ZINC000006003313 HE Annotated Anodyne CCN1C(=O)c2cc(OC)c(OC)cc2C(=O)[C@@]12OC(=O)c1cc3c(cc12)OCO3 ZINC000006003565 HE Annotated Anodyne CC(=O)O[C@@H]1[C@H]2[C@H](C)C[C@H]3OC(=O)[C@@H](C)[C@H]3C[C@]2(C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000006031431 HE Annotated Anodyne N/C(S)=N\N=C\c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 ZINC000006093671 HE Annotated Mild O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NC[C@@H]1CCCO1 ZINC000006131862 HE Annotated Anodyne O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)NC[C@H]1CCCO1 ZINC000006131863 HE Annotated Anodyne NC(=O)Cn1c(O)c(/N=N\C(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 ZINC000006192663 HE Annotated Clean O=[N+]([O-])c1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000006333295 HE Annotated Mild CN[C@H]1c2ccccc2C(=O)c2cc3c(cc21)OCCOCCOCCOCCO3 ZINC000006378931 HE Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(=O)c2c(=O)oc(Cl)cc2o1 ZINC000006403478 HE Annotated Anodyne CC(=O)OC[C@@]12C(=O)C(=O)[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC[C@]21CO1 ZINC000006437550 HE Annotated Clean CN1CCN(c2nc3c(-c4ccc(F)cc4)cc(C(=O)O)c(=O)n3cc2F)CC1 ZINC000006480787 HE Annotated Anodyne COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)C(N)=NS(=O)(=O)N3)cc1 ZINC000006484541 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000006499279 HE Annotated Mild CN(C)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1 ZINC000060325438 HE Annotated Bother COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000061804966 HE Annotated Bother C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061895673 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(F)c(Cl)c2)C1 ZINC000061895674 HE Annotated Anodyne COc1cc(OC)cc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)c1 ZINC000061896031 HE Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1C(F)(F)F ZINC000061896136 HE Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCCN3CCCC3=O)cn12 ZINC000061896428 HE Annotated Anodyne CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1 ZINC000061896972 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)CCC1CCCC1 ZINC000061898266 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc3c(c2)CCO3)CCN1C(=O)CCC1CCCC1 ZINC000061898268 HE Annotated Anodyne CCc1nc2ccc(C(=O)NCCNC(C)=O)cn2c1N(C)Cc1ccc(OC)cc1 ZINC000061898909 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CCCCC1 ZINC000061902379 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CCCCC1 ZINC000061902380 HE Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061902484 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C(F)(F)F)nc2C)C1 ZINC000061902485 HE Annotated Anodyne O=C1C=CC(=c2cnc3n2C=CNC=3Nc2cccc(OC(F)(F)C(F)F)c2)C=C1 ZINC000061902670 HE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CCC1CCCC1 ZINC000061902805 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CCC1CCCC1 ZINC000061902806 HE Annotated Mild O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)C(c1ccccc1)c1ccccc1 ZINC000061902828 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061903016 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(F)ccc(C)c2F)C1 ZINC000061903017 HE Annotated Anodyne CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)CCOC ZINC000061903151 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061903817 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061903818 HE Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061904055 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061904056 HE Annotated Anodyne COc1cc(OC)cc(-c2noc(-c3csc([C@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)c1 ZINC000061904237 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccccc2Br)C1 ZINC000061904748 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccccc2Br)C1 ZINC000061904749 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CCCC1 ZINC000061904827 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CCCC1 ZINC000061904828 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061905548 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061905549 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2nc3ccccc3s2)C1 ZINC000061905753 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2nc3ccccc3s2)C1 ZINC000061905754 HE Annotated Anodyne CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1 ZINC000061906043 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061906273 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000061906274 HE Annotated Anodyne CC(=O)Nc1ccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)cc1 ZINC000061906706 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000061906974 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccc(F)cc2Cl)C1 ZINC000061906975 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907035 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C1(c2ccccc2)CC1 ZINC000061907036 HE Annotated Mild Cc1c(C(=O)NCc2ccco2)sc(=O)n1Cc1ccc(S(C)(=O)=O)cc1 ZINC000061907512 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061907710 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)C/C=C/c1ccccc1 ZINC000061907711 HE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CCC1CCCC1 ZINC000061907771 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CCC1CCCC1 ZINC000061907772 HE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CCCCC1 ZINC000061908314 HE Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CCCCC1 ZINC000061908315 HE Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C1CCCCC1 ZINC000061908369 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)C1CCCCC1 ZINC000061908370 HE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1Cl ZINC000061908545 HE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1Cl ZINC000061908546 HE Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061908622 HE Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3cnn(CCC(C)C)c3)sc2c(=O)n1C ZINC000061908623 HE Annotated Anodyne COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3ccc(C#N)cc3)sc2=O)o1 ZINC000061908824 HE Annotated Mild CC(C)N(C)c1ncnc2c1ncn2[C@H]1CN(Cc2ccc(F)cc2)C[C@@H](CO)O1 ZINC000061908839 HE Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C ZINC000061920979 HE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C ZINC000061920980 HE Annotated Anodyne COCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C ZINC000061920983 HE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)CC(C(=O)N(C)C)=C1C ZINC000061920984 HE Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccco2)C1=O ZINC000061921228 HE Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccco4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921237 HE Annotated Anodyne Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 ZINC000061921247 HE Annotated Anodyne CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)N[C@]21CCCN(Cc2ccc(F)cc2)C1=O ZINC000061921260 HE Annotated Anodyne Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccccc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 ZINC000061921261 HE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N(CC)CC)=C1C ZINC000061921485 HE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N(CC)CC)=C1C ZINC000061921486 HE Annotated Anodyne C[C@H]1CNC(=O)c2c(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)ncn21 ZINC000061921866 HE Annotated Anodyne C[C@@H]1CNC(=O)c2c(C(=O)NCc3ccc(CNC(=O)OC(C)(C)C)cc3)ncn21 ZINC000061921868 HE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921974 HE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921976 HE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921986 HE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N2CCOCC2)=C1C ZINC000061921987 HE Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000061922834 HE Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NC2CCCC2)C1 ZINC000061922939 HE Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NC2CCCC2)C1 ZINC000061922941 HE Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCc2ccco2)C1 ZINC000061922967 HE Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCc2ccco2)C1 ZINC000061922968 HE Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C)C)=C1C ZINC000061923404 HE Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)CC(C(=O)N(C)C)=C1C ZINC000061923406 HE Annotated Anodyne Cc1ccc(F)c(C(=O)N2CCC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c1F ZINC000061925568 HE Annotated Anodyne Cc1ccc(F)c(C(=O)N2CCC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c1F ZINC000061925569 HE Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061925570 HE Annotated Anodyne CCCCC(=O)N(C)c1c(CC)nc2c(OCC(=O)N3CCOCC3)cccn12 ZINC000061925590 HE Annotated Anodyne O=C(c1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)on1)N1CCOCC1 ZINC000061925625 HE Annotated Anodyne O=C(c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccs2)on1)N1CCOCC1 ZINC000061925626 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1cccc(F)c1 ZINC000061925637 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)c1cccc(F)c1 ZINC000061925638 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000061925908 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000061925909 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)Cc2cccc3ccccc23)C1 ZINC000061926212 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)Cc2cccc3ccccc23)C1 ZINC000061926213 HE Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061926284 HE Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061926285 HE Annotated Anodyne COc1ccc(-c2noc(-c3csc([C@@H]4C[C@H](O)[C@@H](CO)O4)n3)n2)cc1OC ZINC000061926659 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccccc1 ZINC000061926789 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)c1ccccc1 ZINC000061926790 HE Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1C(F)(F)F ZINC000061927165 HE Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061927210 HE Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2OC(F)(F)F)C1 ZINC000061927211 HE Annotated Anodyne Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061927269 HE Annotated Mild Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000061927270 HE Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061927828 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 ZINC000061927831 HE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1 ZINC000061928339 HE Annotated Anodyne Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1 ZINC000061928342 HE Annotated Anodyne COc1ccc([C@H](N)c2csc(Nc3ccc(C(=O)NCCCO)cn3)n2)cc1 ZINC000061929223 HE Annotated Anodyne COc1ccc([C@@H](N)c2csc(Nc3ccc(C(=O)NCCCO)cn3)n2)cc1 ZINC000061929225 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061930179 HE Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061930181 HE Annotated Anodyne CCc1nc2ccc(C(=O)NCCN3CCNC3=O)cn2c1N(C)CCC(C)C ZINC000061930699 HE Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1Br ZINC000061931150 HE Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@@H]1CCO ZINC000061943257 HE Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@@H]1CCO ZINC000061943259 HE Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@H]1CCO ZINC000061943310 HE Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(=O)n(Cc3ccccc3)c(CCO)c2[C@H]1CCO ZINC000061943311 HE Annotated Anodyne C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@@H](C(C)C)C1=O ZINC000061944835 HE Annotated Mild O=S1(=O)[C@H]2C[C@H](CO)O[C@@]2(CO)CN1Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000061944845 HE Annotated Anodyne C[C@@H]1COC(=O)CCC/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000061948447 HE Annotated Anodyne CCCCN1CC(=O)N2[C@H]3c4ccccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O ZINC000061949423 HE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1cccc(OC)c1 ZINC000061958795 HE Annotated Anodyne CCOC(=O)C1=CN(Cc2cccc(Br)c2)S(=O)(=O)N(C)[C@@H]1C ZINC000061958948 HE Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(Br)cc2)S(=O)(=O)N(C)[C@@H]1C ZINC000061958968 HE Annotated Anodyne COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(OC)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061959586 HE Annotated Anodyne O=C(CCCn1cncn1)N1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000061969733 HE Annotated Anodyne O=C(CCCn1cncn1)N1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000061969734 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000618001759 HE Annotated Mild CCSc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)OC ZINC000618007581 HE Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000618007595 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(NC(C)=O)cc1C ZINC000618007716 HE Annotated Reactive Cc1ncsc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007773 HE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000618007817 HE Annotated Reactive NCCSSCCNC(=O)C1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000618007897 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(=O)c2ccccc2o1 ZINC000618007950 HE Annotated Reactive Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1 ZINC000618007995 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc2cccnc2c1O ZINC000618008029 HE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000618008073 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1cn(C)c2ccccc12 ZINC000618008136 HE Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000618008141 HE Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1 ZINC000618008142 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)C[C@@H]1CC(=O)c2ccccc21 ZINC000618008230 HE Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)C[C@H]1CC(=O)c2ccccc21 ZINC000618008231 HE Annotated Reactive C[C@@H](O)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C ZINC000618008852 HE Annotated Reactive CC(C)[C@@H](C(=O)NCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O ZINC000618008870 HE Annotated Reactive CN(C)CCSSCCCNC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C ZINC000618008904 HE Annotated Reactive CN(C)CCSSCCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC000618009431 HE Annotated Reactive CN(C)CCSSCCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O ZINC000618009432 HE Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCSSCCN(C)C)cc1 ZINC000618009454 HE Annotated Reactive CN(C)CCSSCCCn1cc(CNC(=O)c2cc(C3CC3)on2)nn1 ZINC000618009797 HE Annotated Reactive CN(C)CCSSCCn1cc(CNC(=O)c2n[nH]c3ccccc23)nn1 ZINC000618010003 HE Annotated Reactive C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1cccc2cccnc12 ZINC000618012354 HE Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1cccc2cccnc12 ZINC000618012359 HE Annotated Anodyne COc1ccc(S(C)(=O)=O)cc1C(=O)NCCCSSCCN(C)C ZINC000618012714 HE Annotated Reactive Cc1nn([C@@H]2N[C@@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2cccc3ccccc23)c(C)c1C ZINC000618014885 HE Annotated Anodyne Cc1nn([C@@H]2N[C@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2cccc3ccccc23)c(C)c1C ZINC000618014887 HE Annotated Anodyne Cc1nn([C@@H]2N[C@@H]3[C@H](C(=O)NC(=O)N3C)N2Cc2cccc3ccccc23)c(C)c1C ZINC000618014888 HE Annotated Anodyne Cc1nn([C@@H]2N[C@H]3[C@@H](C(=O)NC(=O)N3C)N2Cc2cccc3ccccc23)c(C)c1C ZINC000618014889 HE Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H]2[C@H]1N[C@H](C(C)C)C[C@H]2C(=O)N[C@H](C)c1ccccn1 ZINC000618014997 HE Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@@H]2[C@H](C(=O)N[C@H](C)c3ccccn3)C[C@H](C(C)C)N[C@@H]21 ZINC000618014998 HE Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@@H]2[C@H](C(=O)N[C@H](C)c3ccccn3)C[C@@H](C(C)C)N[C@@H]21 ZINC000618014999 HE Annotated Anodyne CC(C)CN1C(=O)NC(=O)[C@H]2[C@H]1N[C@@H](C(C)C)C[C@H]2C(=O)N[C@H](C)c1ccccn1 ZINC000618015000 HE Annotated Anodyne Cc1nn(-c2ccccc2)c(O)c1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000618015027 HE Annotated Anodyne C=CCO/C(O)=C1\C(C)=N[C@@H]2NC(=O)NC(=O)[C@H]2[C@H]1c1ccc(OC)c(OC)c1 ZINC000618016382 HE Annotated Mild C=CCO/C(O)=C1\C(C)=N[C@@H]2NC(=O)NC(=O)[C@@H]2[C@H]1c1ccc(OC)c(OC)c1 ZINC000618016383 HE Annotated Mild C=CCO/C(O)=C1\C(C)=N[C@@H]2NC(=O)NC(=O)[C@@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000618016384 HE Annotated Mild C=CCO/C(O)=C1\C(C)=N[C@@H]2NC(=O)NC(=O)[C@H]2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000618016385 HE Annotated Mild C[C@@H]1N[C@H](SCC(=O)Nc2cccc(C(=O)O)c2)NC(=O)[C@H]1Cc1ccccc1 ZINC000618016717 HE Annotated Anodyne C[C@@H]1N[C@H](SCC(=O)Nc2cccc(C(=O)O)c2)NC(=O)[C@@H]1Cc1ccccc1 ZINC000618016720 HE Annotated Anodyne O=C(O)CCC(=O)N1CCC2(C/C=C/Cc3ccccc3OCCNC2=O)CC1 ZINC000618016896 HE Annotated Anodyne CC(=O)N[C@H]1C[C@@H](C(=O)O)N(CC(=O)Nc2ccc(C)c(F)c2)[C@H]1c1ccccc1 ZINC000618017062 HE Annotated Anodyne C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](n3cc(C(=O)O)ccc3=O)[C@@H]1O)O2 ZINC000618017762 HE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)[C@@H](C(C)(C)O)C1 ZINC000618020189 HE Annotated Anodyne C=CS(=O)(=O)N(CC(=O)O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000618020247 HE Annotated Anodyne CC(C)(C)CNc1nc(NCCO)nc2c(NCC(C)(C)C)nc(NCCO)nc12 ZINC000062153998 HE Annotated Anodyne COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)C)c(C)cn23)n(C)c1=O ZINC000621431313 HE Annotated Anodyne COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)C)c(C)cn23)n(C)c1=O ZINC000621431314 HE Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4cc(C)no4)c(=O)n(C)c3nc12 ZINC000621431877 HE Annotated Anodyne Cc1nn(C[C@H](C)C(=O)NS(=O)(=O)c2ccccc2)c(C)c1Br ZINC000621476486 HE Annotated Anodyne Cc1nn(C[C@@H](C)C(=O)NS(=O)(=O)c2ccccc2)c(C)c1Br ZINC000621476487 HE Annotated Anodyne N#CC1=C(N)N2C=CC=C[C@H]2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477864 HE Annotated Reactive N#CC1=C(N)N2C=CC=C[C@@H]2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477865 HE Annotated Reactive N#CC1=C(N)N2C=CC=C[C@@H]2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477866 HE Annotated Reactive N#CC1=C(N)N2C=CC=C[C@H]2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000621477867 HE Annotated Reactive O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1ccno1 ZINC000621478203 HE Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(I)c(F)c2)CC1 ZINC000621478533 HE Annotated Anodyne C=CS(=O)(=O)OC[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000621485636 HE Annotated Mild C=CS(=O)(=O)OC[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000621485637 HE Annotated Mild COc1ccc(-c2ncc(C(=O)N[C@@H](CO)Cc3cccc(C#N)c3)[nH]2)cc1OC ZINC000621485900 HE Annotated Mild CC(=O)Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1ccccc1 ZINC000063539535 HE Annotated Reactive CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21 ZINC000064264571 HE Annotated Reactive C=CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21 ZINC000064286918 HE Annotated Reactive CC(C)CN(NC(=O)[C@H](N)c1ccccc1)c1nc(C#N)ncc1Br ZINC000064361447 HE Annotated Reactive O=c1c2ccccc2c(Cc2nnc(-c3ccsc3)o2)nn1CCN1CCOCC1 ZINC000064446784 HE Annotated Anodyne CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@H](O)[C@H](O)CO1 ZINC000064447239 HE Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@H](O)[C@H](O)CO1 ZINC000064447241 HE Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@@H](O)[C@@H](O)CO1 ZINC000064447449 HE Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@@H](O)[C@@H](O)CO1 ZINC000064447451 HE Annotated Reactive O=c1c(O)c(-c2nc(Cc3ccc(F)cc3)no2)nc2ccc(N3CCOCC3)cn12 ZINC000064448344 HE Annotated Anodyne CC(=O)c1sc(N(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000064454517 HE Annotated Reactive O=S(=O)(Cc1nnc(CS(=O)(=O)c2ccccc2)s1)Nc1ccccc1 ZINC000064475063 HE Annotated Anodyne CCN(C)C(=O)c1ccc2nc(NC(=O)c3cccc(C#N)c3)n(CCCOC)c2n1 ZINC000064513804 HE Annotated Mild O=c1c(O)c(-c2noc(Cc3ccc(F)cc3)n2)nc2ccc(N3CCOCC3)cn12 ZINC000064526894 HE Annotated Anodyne N#Cc1cccnc1N[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C1 ZINC000064527183 HE Annotated Mild N#Cc1cccnc1N[C@H]1CCN(C(=O)OC2[C@H]3CC4C[C@@H]2CC(C(N)=O)(C4)C3)C1 ZINC000064527509 HE Annotated Mild CCN(C)C(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(C#N)c1)n2CCCOC ZINC000064527693 HE Annotated Mild COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H](O)CCl)[C@@H]1C2=O ZINC000064527718 HE Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H](O)CCl)[C@H]1C2=O ZINC000064527721 HE Annotated Anodyne Cc1no[n+]([O-])c1COc1cc(O)cc(O)c1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000064532239 HE Annotated Mild COc1ccc2nc(C)cc(-n3cc(CN4CCC(N5CCOCC5)CC4)nn3)c2c1 ZINC000064532281 HE Annotated Anodyne O=P(O)(O)C(F)(Cc1cncc(-c2cccc3[nH]ncc23)c1)P(=O)(O)O ZINC000064548776 HE Annotated Anodyne C[C@@H]1O[C@@H](Oc2c(O)c(C(F)(F)F)c3c4c2CCC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549438 HE Annotated Anodyne C[C@@H]1O[C@@H](Oc2c(O)c(C(F)(F)F)c3c4c2CCC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549439 HE Annotated Anodyne CCCCNC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064559494 HE Annotated Anodyne C/C(=N\NC(=N)N)c1cn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2cc(C)ccc12 ZINC000064559880 HE Annotated Mild Cn1c(CS(=O)(=O)c2ccccc2)nc2c(CN3CCOCC3)c(O)ccc21 ZINC000064560777 HE Annotated Clean Cc1c(COc2cc(O)cc(O)c2C(=O)/C=C/c2ccc3c(c2)OCO3)no[n+]1[O-] ZINC000064564651 HE Annotated Mild O=C(O)CCCCCNC(=O)c1cc(I)c(O)c([N+](=O)[O-])c1 ZINC000064625198 HE Annotated Bother in-vitro Cc1c(Sc2ccccc2)n(COCCNC(=O)c2ccccc2)c(=O)[nH]c1=O ZINC000006520192 HE Annotated Anodyne COCCN[C@H]1CCN(c2c(F)cn3c(=O)c(C(=O)O)cc(C4CC4)c3c2C)C1 ZINC000006520878 HE Annotated Anodyne Cc1cccc2c1O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000006523179 HE Annotated Anodyne Cc1cccc2c1O[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 ZINC000006523181 HE Annotated Anodyne N[C@H]1CCN(c2nc3c(-c4ccc(F)cc4F)cc(C(=O)O)c(=O)n3cc2F)C1 ZINC000006525179 HE Annotated Anodyne O=C(O)c1cc(-c2ccc(F)cc2F)c2nc(N3CC[C@H](O)C3)c(F)cn2c1=O ZINC000006525181 HE Annotated Anodyne O=C(O)c1cc(-c2ccc(F)cc2F)c2nc(N3CC[C@@H](O)C3)c(F)cn2c1=O ZINC000006525182 HE Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1)C(F)F ZINC000006525206 HE Annotated Anodyne CCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc([N+](=O)[O-])ccc1Cl)n2CCOC ZINC000006567120 HE Annotated Bother CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(Br)o1 ZINC000006576695 HE Annotated Anodyne O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@]23C=C[C@H]1O3 ZINC000006576701 HE Annotated Anodyne CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(OC)c(OC)c1 ZINC000006576921 HE Annotated Anodyne O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4nccs4)CC3)ccc2N1 ZINC000006577399 HE Annotated Anodyne O=C(CNC(=O)c1ccccc1F)OCc1nc2ccc(Cl)cc2n1CCO ZINC000006623511 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)C[C@@H]2C)c1 ZINC000006785711 HE Annotated Anodyne Cc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cccs3)C[C@H]2C)c1 ZINC000006785715 HE Annotated Anodyne CC[C@@H](C(=O)N1CCC2(CC1)OCCO2)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794586 HE Annotated Anodyne CC[C@H](C(=O)N1CCC2(CC1)OCCO2)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794593 HE Annotated Anodyne C[C@H](NC(=O)Cn1c(=O)c2cccn2c2cccnc21)c1ccc2c(c1)OCCO2 ZINC000006797314 HE Annotated Anodyne C[C@@H](NC(=O)Cn1c(=O)c2cccn2c2cccnc21)c1ccc2c(c1)OCCO2 ZINC000006797316 HE Annotated Anodyne CCc1nnc(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)s1 ZINC000006802298 HE Annotated Anodyne CC(C)CCn1c(=O)c2ccccc2n2c(CCC(=O)NCCN3CCCC3)nnc12 ZINC000006803197 HE Annotated Anodyne C#CCn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2c3c(sc21)CN(C(C)=O)CC3 ZINC000006805077 HE Annotated Mild CCc1nnc(NC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)s1 ZINC000006808360 HE Annotated Anodyne Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(Br)cn1 ZINC000006859738 HE Annotated Anodyne Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000006868686 HE Annotated Anodyne O=C1COc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)c(Cl)cc2N1 ZINC000006893349 HE Annotated Anodyne C[C@@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000006893355 HE Annotated Anodyne C[C@H]1CCCCN1C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000006893356 HE Annotated Anodyne Cc1nn([C@@H](C)C(=O)NCc2ccccn2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000006901552 HE Annotated Anodyne Cc1nn([C@H](C)C(=O)NCc2ccccn2)c(=O)c2nn(-c3ccccc3)c(C)c12 ZINC000006901553 HE Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N(C)C1CCCCC1 ZINC000006949102 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC=C(F)C3)n2)cc1OC(F)F ZINC000653661107 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H]4C[C@@H]43)n2)cc1OC(F)F ZINC000653663046 HE Annotated Anodyne CCC(=O)Nc1nn2c(=O)cc(-c3ccc4nn[nH]c4c3)[nH]c2c1-c1ccccn1 ZINC000653663525 HE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(C[C@@H](C)O)C[C@H]32)n1 ZINC000653665776 HE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(C[C@H](C)O)C[C@H]32)n1 ZINC000653665777 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cc1OC(F)F ZINC000653667554 HE Annotated Anodyne CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3CN(C4COC4)C[C@H]32)n1 ZINC000653667559 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CCCC3)n2)cc1OC(F)F ZINC000653668875 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F ZINC000653670134 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653671211 HE Annotated Anodyne CC(=O)N1[C@H]2CC[C@H]1CC(c1cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n1)C2 ZINC000653671216 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653673695 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653673701 HE Annotated Anodyne CC(=O)N1C[C@@H]2CN(c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)C[C@@H]21 ZINC000653678282 HE Annotated Anodyne Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CC3)n2)cc1OC(F)F ZINC000653679744 HE Annotated Anodyne COC1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1 ZINC000653681054 HE Annotated Anodyne Nc1ncc(-c2cc(N3CCCOCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F ZINC000653684999 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H]4C[C@H]43)n2)cc1OC(F)F ZINC000653685006 HE Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN4CCOCC4)c3O)O2)cc1O ZINC000653689023 HE Annotated Clean COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CN4CCN(C)CC4)c3O)O2)cc1O ZINC000653689096 HE Annotated Clean C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(Cn1cncn1)=C2CCC1=CCOC1=O ZINC000653699626 HE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(CN1CCOCC1)=C2CCC1=CCOC1=O ZINC000653699633 HE Annotated Anodyne CCOC(=O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2nccn2)n1 ZINC000653702399 HE Annotated Anodyne CCOC(=O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2ccnn2)n1 ZINC000653702449 HE Annotated Anodyne O=C(CCl)NNC(=O)c1oc2nc(C(F)(F)F)ccc2c1NC(=O)CCl ZINC000653703159 HE Annotated Reactive Cc1nc(-c2cc3cc(CNS(C)(=O)=O)cc([N+](=O)[O-])c3[nH]2)sc1C(=O)O ZINC000653707180 HE Annotated Bother CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)N2C1 ZINC000653708772 HE Annotated Reactive CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)N2C1 ZINC000653708773 HE Annotated Reactive O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccccn3)CC2)n1 ZINC000653714278 HE Annotated Anodyne Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCNC[C@@H]1C)C(=O)c1ccccc1C3=O ZINC000653717833 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCNC[C@H]1C)C(=O)c1ccccc1C3=O ZINC000653717834 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCN[C@@H](C)C1)C(=O)c1ccccc1C3=O ZINC000653717879 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCN[C@H](C)C1)C(=O)c1ccccc1C3=O ZINC000653717880 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N[C@@H]1CCCNC1)C(=O)c1ccccc1C3=O ZINC000653717902 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N[C@H]1CCCNC1)C(=O)c1ccccc1C3=O ZINC000653717903 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCC(N)CC1)C(=O)c1ccccc1C3=O ZINC000653717907 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCN(C)CC1)C(=O)c1ccccc1C3=O ZINC000653717908 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCC[C@@H](N)C1)C(=O)c1ccccc1C3=O ZINC000653719068 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCC[C@H](N)C1)C(=O)c1ccccc1C3=O ZINC000653719069 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)NC1CCNCC1)C(=O)c1ccccc1C3=O ZINC000653719070 HE Annotated Clean COC(=O)N1c2c(OC)cccc2[C@]23[C@H]4C(=O)[C@H]5C[C@@]6(CCCN(C4=O)[C@@H]62)CC[C@]513 ZINC000653721926 HE Annotated Anodyne COC(=O)N1c2c(OC)cccc2[C@]23[C@H]4N5CCC[C@]46CC[C@]12[C@H](C6)C(=O)[C@@H]3C5=O ZINC000653721927 HE Annotated Anodyne Cc1oc2c(O)c3c(c(O)c2c1C(=O)N[C@@H]1CCNC1)C(=O)c1ccccc1C3=O ZINC000653726352 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O ZINC000653726537 HE Annotated Clean Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CC[C@@H](N)C1)C(=O)c1ccccc1C3=O ZINC000653726540 HE Annotated Clean C[C@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733779 HE Annotated Bother C[C@@]1(COC(=O)N2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653733780 HE Annotated Bother COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)C)cn4)C3)o2)cc1 ZINC000653736135 HE Annotated Anodyne Cc1oc2c(O)c3c(c(O)c2c1C(=O)N[C@H]1CCNC1)C(=O)c1ccccc1C3=O ZINC000653740417 HE Annotated Clean COCCOc1cc(=O)n(C)cc1C(=O)Nc1nsc2ccc([N+](=O)[O-])cc12 ZINC000653746719 HE Annotated Bother COc1ccc2c(c1CN1CCNC[C@H]1C)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653749311 HE Annotated Mild COc1ccc2c(c1CN1CCN[C@H](C)C1)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653755610 HE Annotated Mild Nc1ncc(-c2cc(N3C[C@H]4CCO[C@H]4C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653756209 HE Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(F)cc2[C@@]1(O)Cc1nn[nH]n1 ZINC000653757031 HE Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2ccc(F)cc2[C@]1(O)Cc1nn[nH]n1 ZINC000653757035 HE Annotated Anodyne N[C@H]1C[C@@H](N2Cc3[nH]nc(NC(=O)C4CC4)c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000653757206 HE Annotated Anodyne CN1C(C(=O)/C=C/c2cn(-c3ccccc3)nn2)=C(O)c2ccccc2S1(=O)=O ZINC000653757794 HE Annotated Mild Nc1ncc(-c2cc(N3C[C@H]4COC[C@H]4C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653758391 HE Annotated Anodyne COc1ccc2c(c1CN1CCN[C@@H](C)C1)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653759943 HE Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@H]3CCOC3)n2)cc1OC(F)F ZINC000653762409 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc([C@@H]3CCOC3)n2)cc1OC(F)F ZINC000653762410 HE Annotated Anodyne Nc1ncc(-c2cc(N3CCOCC3)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653763861 HE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1cncn1)[C@H]2CCC1=CCOC1=O ZINC000653764350 HE Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(CN1CCOCC1)[C@H]2CCC1=CCOC1=O ZINC000653764396 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC1CC1 ZINC000653765568 HE Annotated Anodyne Cc1cc(-c2nc(-c3cnc(OC[C@H]4COC(=O)N4)cn3)no2)cc(NC(C)C)n1 ZINC000653766330 HE Annotated Anodyne COc1ccc2c(c1CN1CCNC[C@@H]1C)O/C(=C\c1[nH]nc3ncccc13)C2=O ZINC000653766924 HE Annotated Mild Nc1ncc(-c2cc([C@@H]3[C@H]4CN(CC(F)(F)F)C[C@H]43)nc(N3CC4CC3C4)n2)cn1 ZINC000653767404 HE Annotated Anodyne Nc1ncc(-c2cc(C3CN(C4COC4)C3)cc(N3CCC3)n2)cc1OC(F)F ZINC000653767508 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cc1OC(F)F ZINC000653768951 HE Annotated Anodyne Nc1ncc(-c2cc(N3CC4(CCOC4)C3)nc(N3CCC3)n2)cc1OC(F)F ZINC000653769221 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@H]4C3)n2)cc1OC(F)F ZINC000653775405 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4C[C@@H]4C3)n2)cc1OC(F)F ZINC000653775406 HE Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@@H]4C[C@H]4C3)n2)cc1OC(F)F ZINC000653775407 HE Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(-n4cccn4)cc2)C3=O)n1 ZINC000653778059 HE Annotated Anodyne O=C(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000653779604 HE Annotated Anodyne CN(CCO)C[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653780346 HE Annotated Anodyne CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653783656 HE Annotated Anodyne O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 ZINC000653783786 HE Annotated Anodyne CS(=O)(=O)c1cccc2c(C(=O)NCc3cccc4cccnc34)nc(N)nc12 ZINC000653784934 HE Annotated Anodyne C[C@]1(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653785999 HE Annotated Bother O=C(CF)NC[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653790231 HE Annotated Anodyne C[C@H](NC(=O)c1n[nH]c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc12)C(N)=O ZINC000653791354 HE Annotated Mild C[C@@H](OC(=O)N=c1c[n+](C2CC(C)(C)N(O)C(C)(C)C2)[nH]o1)OC(=O)C(C)(C)C ZINC000653798045 HE Annotated Anodyne C[C@H](OC(=O)N=c1c[n+](C2CC(C)(C)N(O)C(C)(C)C2)[nH]o1)OC(=O)C(C)(C)C ZINC000653798046 HE Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Nc2cccc3ccccc23)[C@@H]1OC(C)=O ZINC000653799688 HE Annotated Anodyne N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3ccc(C(N)=O)cn23)cc1 ZINC000653801242 HE Annotated Anodyne O=S(=O)(Nc1ccc(O)cc1)c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1 ZINC000653801262 HE Annotated Mild CC(C)c1nc(C(=O)NCC2(O)CCN(CC3CCOCC3)CC2)c2ccccn12 ZINC000653803796 HE Annotated Anodyne CCOC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)C(=O)CC ZINC000653805011 HE Annotated Anodyne O=C(N[C@H]1CCOC[C@@H]1O)c1cn(Cc2ccc(-c3cc[nH]n3)cc2)c2cccnc12 ZINC000653805751 HE Annotated Anodyne Cc1ccccc1OCCN[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833253 HE Annotated Anodyne Cc1ccccc1OCCN[C@@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2 ZINC000653833254 HE Annotated Anodyne N#Cc1cccc(CC(=O)N2CCN(c3cc(NCCN)c4ccccc4n3)CC2)c1 ZINC000653837895 HE Annotated Mild CC(C)CS(=O)(=O)n1ccc2c(-c3cnn(C)c3)cc(N3CCN(C)CC3)nc21 ZINC000653842821 HE Annotated Anodyne CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CN(C(C)=O)C4)s3)cc21 ZINC000653843995 HE Annotated Anodyne CC(C)C[C@H](N)C(=O)NCCCS(=O)(=O)Oc1ccc(Cl)c2cccnc12 ZINC000653845349 HE Annotated Anodyne O=c1c2ccc(C(F)(F)F)nc2ncn1Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000653852971 HE Annotated Bother COc1ccc(-n2c(C)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653859685 HE Annotated Anodyne Cc1cc(O)n2nc3c(c2n1)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 ZINC000653866799 HE Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4c3ncccn3)nc21 ZINC000653867750 HE Annotated Anodyne COc1ccc(/N=C/c2cccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)c2)cc1 ZINC000653870758 HE Annotated Mild COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2cncnc12 ZINC000653872507 HE Annotated Anodyne Cc1cc(O)nc2c3c(nn12)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3 ZINC000653874576 HE Annotated Anodyne CC(=O)Nc1nc(N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2nc[nH]c2n1 ZINC000653878833 HE Annotated Anodyne Cc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 ZINC000653893486 HE Annotated Anodyne COc1ccc(/N=C/c2ccc(B3OC[C@H]4O[C@@H]5OC(C)(C)O[C@@H]5[C@H]4O3)cc2)cc1 ZINC000653895758 HE Annotated Mild CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(O)ncnc34)c(F)c2)CC1 ZINC000653901799 HE Annotated Anodyne Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@@H]4CC[C@H]3CN4C(=O)c3ccon3)nc21 ZINC000653912904 HE Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ncc(C)s1 ZINC000653915948 HE Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC2(CC2)C[C@H]1C(=O)Nc1ncccc1F ZINC000653916060 HE Annotated Anodyne COc1ccc(C[C@@H](C)NC[C@@H]2Oc3ccccc3O[C@@H]2C)cc1S(N)(=O)=O ZINC000066058807 HE Annotated Anodyne O=C(c1ccco1)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000066066450 HE Annotated Anodyne CC(C)N1C(=O)C(=O)N=C1/N=C(\NCCN(C)C)Nc1ccc(Cl)c(Cl)c1 ZINC000066074039 HE Annotated Mild NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(C3CN(Cc4ccccc4)C3)cc1-2 ZINC000066074341 HE Annotated Anodyne Nc1nc(OCc2cc(Br)cs2)c([N+](=O)[O-])c(N2CCOCC2)n1 ZINC000066074598 HE Annotated Bother CCOC(=O)O[C@@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1OC(=O)OCC)[C@@H]34 ZINC000066075897 HE Annotated Anodyne CCOC(=O)O[C@H]1C[C@@H]2[C@H]3CCCN4CCC[C@@H](CN2C(=O)[C@@H]1OC(=O)OCC)[C@@H]34 ZINC000066075901 HE Annotated Anodyne C[C@@H](O)[C@@H](NC(=O)N1CCC[C@H](c2ccc(C#Cc3ccccc3)cc2)C1)C(=O)NO ZINC000066098684 HE Annotated Mild C[C@@H](O)[C@@H](NC(=O)N1CCC[C@@H](c2ccc(C#Cc3ccccc3)cc2)C1)C(=O)NO ZINC000066098686 HE Annotated Mild N#CN1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000066099239 HE Annotated Anodyne COc1cc(-c2nnc3n2CCCN3C(=O)N2CCOCC2)ccc1-n1cnc(C)c1 ZINC000066101006 HE Annotated Anodyne COc1cc2nc(-c3cc(F)ccc3O)nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC ZINC000066101854 HE Annotated Anodyne COP(=O)(C/C=C/Cn1cc(Cl)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066102813 HE Annotated Anodyne CC(C)=CCC[C@@H](C)C/C=C/C(=O)OC[C@H]1O[C@@H](OC(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000066103313 HE Annotated Anodyne COP(=O)(C/C=C\Cn1cc(Cl)c(=O)n(C(=O)c2ccccc2)c1=O)OC ZINC000066103317 HE Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@](C)(O)[C@H](OC(=O)c1c(C)cc(O)c(O)c1OC)C2 ZINC000066104927 HE Annotated Mild in-vitro COc1ccc(C[C@@H](C)NC[C@H]2Oc3ccccc3O[C@H]2C)cc1S(N)(=O)=O ZINC000066156827 HE Annotated Anodyne CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1 ZINC000066251300 HE Annotated Anodyne COc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cc1F ZINC000066251924 HE Annotated Bother O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(F)ccc21 ZINC000066252830 HE Annotated Anodyne CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4cccc(Cl)c4)o3)nn2)CC1 ZINC000066259653 HE Annotated Anodyne O=C(O)CN1CN(Cc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cc(Cl)ccc21 ZINC000066259663 HE Annotated Bother CC[C@H](O)[C@@H]1CC[C@@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 ZINC000066262963 HE Annotated Bother NC[C@@H](NC(=O)C[C@@H]1CNC(=O)c2cc(-c3ccnc(F)c3)cn21)c1ccccc1 ZINC000068204239 HE Annotated Anodyne NC[C@@H](NC(=O)C[C@H]1CNC(=O)c2cc(-c3ccnc(F)c3)cn21)c1ccccc1 ZINC000068204241 HE Annotated Anodyne C/C(=N\NC(N)=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000068248439 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000068248442 HE Annotated Reactive CC(C)(C)c1ncc2c(n1)-c1sc(NC(=O)N3CCC[C@H]3C(N)=O)nc1CC2 ZINC000068248842 HE Annotated Anodyne CC(C)(C)NC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000069061670 HE Annotated Anodyne CCCCNC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000069061679 HE Annotated Anodyne COc1cc(O)c([C@H]2Oc3cc(OC)c(OC)c(OC)c3C(=O)[C@@H]2OC)cc1O ZINC000069482246 HE Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)C(=O)[C@H](OC)[C@@H](c1cc(O)c(OC)c(O)c1)O2 ZINC000069482249 HE Annotated Anodyne in-vitro biogenic Cc1oc2ncnc(N3CCOCC3)c2c1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000007001409 HE Annotated Anodyne CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccc(OC)cc1 ZINC000007003192 HE Annotated Anodyne Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1 ZINC000007007262 HE Annotated Anodyne Cc1ccccc1CNC(=O)CCS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 ZINC000007007289 HE Annotated Anodyne O=C(C[C@H]1S/C(=N\C[C@@H]2CCCO2)NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007156242 HE Annotated Mild O=C(C[C@H]1S/C(=N\C[C@H]2CCCO2)NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007156261 HE Annotated Mild CC(=O)O[C@@H]1C(=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@@]3(C)OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000070450852 HE Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)Cc4ccc(O)cc4)[C@@H]12)C(=O)C[C@H]3C=O ZINC000070451182 HE Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3C[C@@H]2O ZINC000070454324 HE Annotated Mild in-vitro biogenic CC[C@H](O)[C@@H]1CC[C@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 ZINC000070454849 HE Annotated Anodyne in-vitro biogenic CC[C@@H](O)[C@@H]1CC[C@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 ZINC000070454853 HE Annotated Anodyne in-vitro biogenic O=C1NCC/C(=N\Nc2ncccn2)c2c1[nH]c(Br)c2Br ZINC000070460206 HE Annotated Mild COc1cc([C@H]2C3=C(COC3=O)Nc3nc(SC)nc(N)c32)cc(OC)c1OC ZINC000071281197 HE Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3nc(SC)nc(N)c32)cc(OC)c1OC ZINC000071281199 HE Annotated Anodyne NCCC(=O)Nc1ccccc1-c1ccc(-c2ccccc2NC(=O)CCN)nn1 ZINC000071294572 HE Annotated Anodyne CC(=O)OC[C@H]1O[C@H](OCCC(C)C)C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000071294706 HE Annotated Mild [O-][n+]1nc2c(I)cnn2c2cc(-c3ccccc3O)ccc21 ZINC000071295583 HE Annotated Anodyne COC/C=C1\C[N+]2([O-])[C@H]3C[C@@]45C(=Nc6cc7c(c(OC)c64)OCO7)OC[C@H]3[C@H]1C[C@@H]52 ZINC000071295678 HE Annotated Bother COc1ccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1 ZINC000071296107 HE Annotated Reactive CCc1c(C(=O)c2ccccc2)n(COCCc2ccc(F)cc2)c(=O)n(O)c1=O ZINC000071296896 HE Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1CC1CCNCC1 ZINC000071316744 HE Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@@]3(O)C=C(CO)[C@]12O ZINC000071317370 HE Annotated Anodyne CS(=O)(=O)N1CCC(n2cc(-c3noc(-c4ccc(Cl)cc4)n3)nn2)CC1 ZINC000071318114 HE Annotated Anodyne Cc1cnc2c(c1)S(=O)(=O)N(Cc1ccc(C(F)(F)F)cc1)CN2CC(=O)O ZINC000071318260 HE Annotated Anodyne C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1c[nH]cn1 ZINC000071319271 HE Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](OC(=O)CCC)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000071329413 HE Annotated Mild O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4nnn[nH]4)n3c2)c1)c1ccccc1 ZINC000071329473 HE Annotated Anodyne O=C(O)CN1CN(Cc2cc(F)c(F)cc2F)S(=O)(=O)c2cc(Cl)cnc21 ZINC000071330231 HE Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3OC)ON(C)[C@@H]2P(=O)(O)O)cc1 ZINC000071330856 HE Annotated Anodyne CCCCCCCCN1C(=O)C2=C(C)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NCC(=O)OCC ZINC000071333481 HE Annotated Mild O=C1NCCCC[C@H]1N(Cc1csnn1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000071340821 HE Annotated Anodyne CS(=O)(=O)N1CCC(Nc2n[nH]c3nc(Oc4ccc(F)cc4F)ncc23)CC1 ZINC000071341058 HE Annotated Anodyne O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)C(Cl)Cl ZINC000071341242 HE Annotated Reactive O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21)c1ccc(F)cc1 ZINC000071341644 HE Annotated Reactive CCCCCCCCN1C(=O)C2=C(C)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NCC(=O)OCC ZINC000071411299 HE Annotated Mild CS(=O)(=O)N1CCN([C@H](c2cncnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072100810 HE Annotated Anodyne CS(=O)(=O)N1CCN([C@@H](c2cncnc2)c2ccc(C(F)(F)F)cc2F)CC1 ZINC000072100811 HE Annotated Anodyne CS(=O)(=O)N1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cncnc2)CC1 ZINC000072102020 HE Annotated Anodyne CS(=O)(=O)N1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cncnc2)CC1 ZINC000072102021 HE Annotated Anodyne Cc1ccc(C(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)cc1 ZINC000072105454 HE Annotated Anodyne CCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCC)cn2)c2ccc(F)cc2F)c1 ZINC000072106423 HE Annotated Anodyne O=C(CCc1ccccc1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072106823 HE Annotated Anodyne COc1cccc(-n2c(=O)n3n(c2=O)[C@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)c1 ZINC000072107183 HE Annotated Anodyne COc1cccc(-n2c(=O)n3n(c2=O)[C@@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)c1 ZINC000072107184 HE Annotated Anodyne O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccccc2F)O1 ZINC000072107309 HE Annotated Anodyne COc1cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc(OC)c1OC ZINC000072107475 HE Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@](C)(O)CS(=O)(=O)c1ccccc1)CC2 ZINC000072107621 HE Annotated Anodyne Cc1cc(O)c(=O)c(O)c2c1C[C@@H]([C@@](C)(O)CS(=O)(=O)c1ccccc1)CC2 ZINC000072107622 HE Annotated Anodyne COc1cc(OS(=O)(=O)c2ccc(N3CCCNC3=O)cc2)cc(OC)c1OC ZINC000072107742 HE Annotated Anodyne CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3cccc([N+](=O)[O-])c3)c(=O)n12 ZINC000072108045 HE Annotated Bother CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3cccc([N+](=O)[O-])c3)c(=O)n12 ZINC000072108046 HE Annotated Bother N#Cc1ccccc1C(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072108657 HE Annotated Mild COc1ccc2c(c1O)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@@H]12 ZINC000072108735 HE Annotated Anodyne COc1ccc2c(c1O)OC(C)(C)C1=CCn3c(=O)n(-c4ccccc4)c(=O)n3[C@H]12 ZINC000072108736 HE Annotated Anodyne COc1ccnc(C2(C#N)CCN(Cc3cc(C(=O)O)c(=O)n4ccccc34)CC2)c1 ZINC000072109899 HE Annotated Mild COc1ccc(-n2c(=O)n3n(c2=O)[C@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1 ZINC000072110199 HE Annotated Anodyne COc1ccc(-n2c(=O)n3n(c2=O)[C@@H]2C(=CC3)C(C)(C)Oc3cc(O)ccc32)cc1 ZINC000072110200 HE Annotated Anodyne CN(C)S(=O)(=O)N1CC[C@@H](Oc2cc(F)cc(NC(=O)Nc3cccnc3)c2)C1 ZINC000072112480 HE Annotated Anodyne COc1cc(CC(=O)O)ccc1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072114640 HE Annotated Anodyne COc1cc(C=O)cc(OC)c1OC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072114780 HE Annotated Anodyne COc1cc(C=O)cc(OC)c1OC[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000072114781 HE Annotated Anodyne CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@@H](NC(=O)/C=C/c1ccccc1)[C@H](O)c1ccccc1 ZINC000072116195 HE Annotated Anodyne O=C(Cc1ccccc1)OC[C@@H]1OC(=O)N[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000072118959 HE Annotated Anodyne O=C(Cc1ccccc1)OC[C@H]1OC(=O)N[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000072120314 HE Annotated Anodyne COC(=O)[C@@H]1O[C@@H](O)C(=O)[C@]2([C@@H](O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]12 ZINC000072122699 HE Annotated Anodyne COC(=O)[C@@H]1O[C@@H](O)C(=O)[C@]2([C@H](O)/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]12 ZINC000072122700 HE Annotated Anodyne O=C1c2cccnc2-c2c1c1ccc([N+](=O)[O-])cc1c(=O)n2CCCN1CCOCC1 ZINC000072123330 HE Annotated Bother C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000072123395 HE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCCOc1ncc(-c3ccc(F)cc3)cn1)C2 ZINC000072123515 HE Annotated Bother C[C@@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000072124392 HE Annotated Anodyne COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 ZINC000072124902 HE Annotated Reactive COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1 ZINC000072124903 HE Annotated Reactive O=C(c1ccccc1)N1CCN(CN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072126219 HE Annotated Anodyne O=C(c1ccccc1)N1CCN(CN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072126220 HE Annotated Anodyne C#C[C@H](Cc1cccc(F)c1)n1nnc2cc3c(cc2c1=O)OCN(C1CC1)C3=O ZINC000072127984 HE Annotated Mild C#C[C@H](Cc1cccc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072128518 HE Annotated Mild C#C[C@H](Cc1cccc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072128519 HE Annotated Mild C#C[C@H](Cc1cc(F)cc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072128520 HE Annotated Mild C#C[C@H](Cc1cc(F)cc(F)c1)n1nnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072128521 HE Annotated Mild CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccccc1Br ZINC000072135942 HE Annotated Anodyne C#CCN1CCS(=O)(=O)N(Cc2ccc(Br)cc2)[C@H](C(C)C)C1=O ZINC000072136082 HE Annotated Mild COCCCN1C(=O)[C@@H](CC(=O)NC2CC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072139347 HE Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC2CC2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000072139348 HE Annotated Anodyne COc1ccc2[nH]c([C@H](O)[C@H](O)c3nc4ccc(OC)c(OC)c4[nH]3)nc2c1OC ZINC000072140967 HE Annotated Anodyne COc1ccc2[nH]c([C@@H](O)[C@H](O)c3nc4ccc(OC)c(OC)c4[nH]3)nc2c1OC ZINC000072140968 HE Annotated Anodyne COc1ccc2[nH]c([C@H](O)[C@@H](O)c3nc4ccc(OC)c(OC)c4[nH]3)nc2c1OC ZINC000072140969 HE Annotated Anodyne CCCCOc1c(OC)ccc2cc(C(=O)NCc3cn(CCF)nn3)c(=O)[nH]c12 ZINC000072141394 HE Annotated Anodyne CC(=O)N(Cc1ccc(OC(F)(F)F)cc1)[C@@H]1COc2nc([N+](=O)[O-])cn2C1 ZINC000072142657 HE Annotated Bother COc1ccc(C(=O)N2CCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)cc1 ZINC000072170709 HE Annotated Anodyne COc1cc(N(C)C)ccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1-c1cccc(F)c1 ZINC000072172126 HE Annotated Anodyne COc1ccc(-n2c(-c3ccc(N(C)C)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1F ZINC000072172231 HE Annotated Clean NC(=S)c1cccc(CCN2COc3cc4c(cc3C2=O)O[C@@H]2CCCN2C4=O)c1 ZINC000072173535 HE Annotated Anodyne NC(=S)c1cccc(CCN2COc3cc4c(cc3C2=O)O[C@H]2CCCN2C4=O)c1 ZINC000072173536 HE Annotated Anodyne COc1ccc(C2=NO[C@]3(C2)C(=O)O[C@@H]2[C@H]3CC[C@H](C)[C@]3(O)C=CC(=O)[C@@]23C)cc1 ZINC000072175135 HE Annotated Mild O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)CCCC1=S ZINC000072175915 HE Annotated Anodyne O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)CCCC1=S ZINC000072175916 HE Annotated Anodyne CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6/OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000072176001 HE Annotated Anodyne COc1cccc2c1nc1c(C#N)c(-c3ccc(OCC(N)=O)cc3)c(C#N)c(N)n12 ZINC000072176123 HE Annotated Mild O=C(O)[C@H](Cc1cnc[nH]1)N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000072176352 HE Annotated Clean C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccc(C#N)cc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072177308 HE Annotated Mild CC[C@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000072178149 HE Annotated Anodyne in-vitro biogenic COc1c(O)c2c(c(Cl)c1Cl)NC(=O)/C2=N\NC(=O)Cc1ccc(O)cc1 ZINC000072178780 HE Annotated Reactive COC(=O)c1cc(CN[C@@H]2COc3nc([N+](=O)[O-])cn3C2)ccc1OC(F)(F)F ZINC000072179493 HE Annotated Bother C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23CC(c2ccc(N(C)C)cc2)=NO3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072179622 HE Annotated Mild CC1=C2[C@H](C)[C@@H](C)O[C@@]2(O)[C@]2(O)Oc3cc(O)c(C)c([C@H](C)[C@@H](C)O)c3C=C2C1=O ZINC000072179769 HE Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@H](CCO)c1ccc(OC(F)(F)F)cc1)C2 ZINC000072180037 HE Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](CCO)c1ccc(OC(F)(F)F)cc1)C2 ZINC000072180038 HE Annotated Bother COc1ccc([C@@H]2C=C(c3ccc(N)cc3)N=C3SC(S(N)(=O)=O)=NN32)cc1 ZINC000072180671 HE Annotated Anodyne COc1ccc([C@H]2C=C(c3ccc(N)cc3)N=C3SC(S(N)(=O)=O)=NN32)cc1 ZINC000072180672 HE Annotated Anodyne Nc1cc(Cn2c(C(=O)O)c(-c3c[nH]c(=O)[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000072181025 HE Annotated Anodyne CCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F ZINC000072182468 HE Annotated Anodyne O/N=C(\NCCN1CCOCC1)c1ccc(Oc2c(F)c(F)cc(F)c2F)nc1 ZINC000072184324 HE Annotated Mild O=C1C[C@@H]2S[C@H]3C[C@]2(C=C1Br)C1=C(N3)C(=O)c2[nH]cc3c2C1=NCC3 ZINC000072284483 HE Annotated Mild NS(=O)(=O)NCc1nnc(Cc2nc3ccc(-c4ccccc4)cc3s2)o1 ZINC000072315519 HE Annotated Anodyne Cn1cc(-c2ccc3sc(Cc4nnc(CC(=O)NC5(C#N)CC5)o4)nc3c2)cn1 ZINC000072315520 HE Annotated Mild CCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1 ZINC000072317255 HE Annotated Anodyne CN(C)C(=O)c1cc2ncc(C(=O)N3CCN(c4ccccc4F)CC3)cc2n1C ZINC000072323410 HE Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCc1cccc(OC)c1 ZINC000072323598 HE Annotated Mild CN(C)S(=O)(=O)N1CCN(C(=O)c2cnc3c(ccn3C3CCCCC3)c2)CC1 ZINC000072323665 HE Annotated Anodyne NC(N)=N/N=C\c1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Br)cn12 ZINC000073138040 HE Annotated Mild Cc1csc2ncn(CC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c12 ZINC000073138158 HE Annotated Reactive O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1c[nH]c2ccccc12 ZINC000073138636 HE Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1c[nH]c2ccccc12 ZINC000073138637 HE Annotated Anodyne Cc1nn2c(/C=N/NC3=NCCN3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1 ZINC000073139747 HE Annotated Mild NC(N)=N/N=C\c1c(-c2ccc(Br)c([N+](=O)[O-])c2)nc2sccn12 ZINC000073140763 HE Annotated Mild CCNC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 ZINC000073141252 HE Annotated Bother CO[C@]1(C)O[C@H]2[C@@H](OCc3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073142331 HE Annotated Mild CO[C@]1(C)O[C@H]2[C@H](OCc3ccccc3)C=C(COC(C)=O)C(=O)[C@@H]2O[C@@]1(C)OC ZINC000073157347 HE Annotated Mild O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1nccs1 ZINC000073158115 HE Annotated Anodyne O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1cscn1 ZINC000073158118 HE Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(-c5noc(C)n5)nc4)cc3OC[C@@H]12 ZINC000073162292 HE Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[S@](c1ccc(C(F)(F)F)cc1)=NS2(=O)=O ZINC000073164380 HE Annotated Anodyne NS(=O)(=O)c1ccc2c(c1)[S@@](c1ccc(C(F)(F)F)cc1)=NS2(=O)=O ZINC000073164382 HE Annotated Anodyne CCOC(=O)N1CCCN(/[N+]([O-])=N/Oc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000073168296 HE Annotated Clean CC(=O)O[C@H]1C=C2CCN3C(=S)c4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000073168669 HE Annotated Anodyne COc1ccc(/C=N/C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3CN2CCOCC2)cc1 ZINC000073169079 HE Annotated Mild NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073169550 HE Annotated Anodyne Cc1ccc(/C=N/C(=O)Nc2ccc3c(c2)C(=O)C(=O)N3CN2CCOCC2)cc1 ZINC000073169837 HE Annotated Mild O=C(/N=C/c1ccc(F)cc1)Nc1ccc2c(c1)C(=O)C(=O)N2CN1CCOCC1 ZINC000073170129 HE Annotated Mild C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])-c2cnccc2C(=O)c13 ZINC000073195792 HE Annotated Clean NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCO1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073196427 HE Annotated Anodyne NC(=O)[C@@H](CCC(F)(F)F)N(CC1COC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000073196474 HE Annotated Anodyne CCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1 ZINC000073197055 HE Annotated Anodyne COc1cc(Cc2nnc(NC(C)C)s2)c(S(=O)(=O)N(C)C)cc1OC ZINC000073197056 HE Annotated Anodyne COc1cc(Cc2n[nH]c(=S)n2C(C)C)c(S(=O)(=O)N(C)C)cc1OC ZINC000073197752 HE Annotated Anodyne Cc1ncc(Cn2nnc(COc3ccccc3)c2I)c(N)n1 ZINC000073197974 HE Annotated Anodyne COc1cc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000073199405 HE Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2CN1C ZINC000073199503 HE Annotated Anodyne CN(C)c1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)cc1 ZINC000073223296 HE Annotated Anodyne COc1ccc(-c2noc(CN3N=N[C@@H]4C(=O)N(c5ccccc5)C(=O)[C@@H]43)n2)cc1 ZINC000073224850 HE Annotated Anodyne O=C1[C@H]2N=NN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)[C@H]2C(=O)N1c1ccccc1 ZINC000073224964 HE Annotated Bother Cc1onc(C(=O)N2CCN(C(c3ccccn3)c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000073280243 HE Annotated Bother Cc1onc(C(=O)N2CCN(C(c3ccncc3)c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000073280245 HE Annotated Bother C[n+]1c2ccccc2c(CNc2ccc(S(=O)(=O)N=C(N)N)cc2)c2ccccc21 ZINC000073280667 HE Annotated Mild COC(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H](C(=O)OC)[C@]2(C[C@@]1(C)O)NCCS2 ZINC000073332431 HE Annotated Anodyne COC(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@H](C(=O)OC)[C@](C)(O)C[C@@]12NCCS2 ZINC000073332433 HE Annotated Anodyne CCOC(=O)c1cc([C@@H]2CCN(Cc3ccccc3)C2=O)c(C(=O)C(=[N+]=[N-])C(C)=O)[nH]1 ZINC000073353065 HE Annotated Clean O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc(-c4ccccc4)ccc3c2)[C@H]1C(=O)O ZINC000073386166 HE Annotated Anodyne CCOCO[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 ZINC000073407512 HE Annotated Bother CC1=C(C(=O)c2ccccc2)[C@@]23C(=O)N(c4ccccc4)C(=O)C2=C(O)C=C[C@]3(O)N1 ZINC000073410914 HE Annotated Mild CC1=C(C(=O)c2ccccc2)[C@]23C(=O)N(c4ccccc4)C(=O)C2=C(O)C=C[C@]3(O)N1 ZINC000073410918 HE Annotated Mild CC1=C(C(=O)c2ccccc2)[C@@]23C(=O)N(c4ccccc4)C(=O)C2=C(O)C=C[C@@]3(O)N1 ZINC000073410922 HE Annotated Mild CC1=C(C(=O)c2ccccc2)[C@]23C(=O)N(c4ccccc4)C(=O)C2=C(O)C=C[C@@]3(O)N1 ZINC000073410924 HE Annotated Mild CCOC(=O)[C@H]1[C@H](c2ccc(Br)o2)[C@@H](C(=O)OCC)C(=O)C[C@@]1(C)O ZINC000007991339 HE Annotated Anodyne CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000007998210 HE Annotated Anodyne CO[C@H]1COC(=O)[C@H](C)COC(=O)[C@@H](Cc2ccccc2)NC(=O)C/C=C\[C@H]1C ZINC000007998212 HE Annotated Anodyne CO[C@@H]1COC(=O)[C@H](C)NC(=O)C/C=C\[C@@H](OC)[C@H](C)COC(=O)CCC[C@H]1C ZINC000007998231 HE Annotated Anodyne CO[C@@H]1COC(=O)[C@@H](C)NC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C ZINC000007998267 HE Annotated Anodyne CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 ZINC000007998631 HE Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC[C@@H]12 ZINC000007998666 HE Annotated Mild O=C(O)[C@H](O)[C@](O)(C[C@@H](O)CCCCCCc1ccc(Cl)cc1Cl)C(=O)O ZINC000079365773 HE Annotated Anodyne O=C1C2=CC[C@H]3C(=O)N(c4cccc(Oc5ccccc5)c4)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12 ZINC000008035995 HE Annotated Mild O=C1C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3cccc(Oc4ccccc4)c3)C(=O)[C@H]12 ZINC000008035996 HE Annotated Anodyne CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3cc[nH]c(=O)c3)c[nH]2)o1 ZINC000008144283 HE Annotated Anodyne in-man CO[C@@H]1[C@@H](OC(C)=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000008221350 HE Annotated Anodyne in-vitro biogenic Cc1ccc(-n2ccnc2SCC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)cc1C ZINC000008230018 HE Annotated Anodyne Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)C2=O)c1 ZINC000008439126 HE Annotated Clean C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ncccn5)CC4)[C@H]3[C@@H]3O[C@@]132 ZINC000082051544 HE Annotated Anodyne CCOC(=O)N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)CC1 ZINC000082051626 HE Annotated Anodyne CCOC(=O)N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)CC1 ZINC000082051629 HE Annotated Anodyne COc1ccc(N2CCN([C@H]3CC4=CC(=O)O[C@@]45C[C@@H]3N3CCCC[C@@H]35)CC2)cc1 ZINC000082051985 HE Annotated Clean CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)Nc2ccnn2C(N)=C1C#N ZINC000082053236 HE Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)Nc2ccnn2C(N)=C1C#N ZINC000082053238 HE Annotated Reactive C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 ZINC000082067157 HE Annotated Mild Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N[C@@H]4CCCCNC4=O)C3)co2)cc1 ZINC000082069340 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N[C@@H]4CCCCNC4=O)C3)co2)cc1 ZINC000082069341 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)N[C@H]4CCCCNC4=O)C3)co2)cc1 ZINC000082069342 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N[C@H]4CCCCNC4=O)C3)co2)cc1 ZINC000082069343 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCCCNC3=O)C2)co1 ZINC000082069364 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCCCNC3=O)C2)co1 ZINC000082069365 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCCCNC3=O)C2)co1 ZINC000082069366 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCCCNC3=O)C2)co1 ZINC000082069367 HE Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc2)cs1 ZINC000082069756 HE Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc2)cs1 ZINC000082069757 HE Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)OCCOCCN(C)C)cc2)cs1 ZINC000082069901 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N[C@@H]2CCCCNC2=O)C(C)C)co1 ZINC000082070004 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N[C@@H]2CCCCNC2=O)C(C)C)co1 ZINC000082070005 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)N[C@H]2CCCCNC2=O)C(C)C)co1 ZINC000082070007 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)N[C@H]2CCCCNC2=O)C(C)C)co1 ZINC000082070008 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)O)cs1 ZINC000082071061 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)O)cs1 ZINC000082071062 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CO)CSCNC(C)=O)cs1 ZINC000082071063 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CO)CSCNC(C)=O)cs1 ZINC000082071064 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCC(=O)OCCOCCN(C)C)cs1 ZINC000082072376 HE Annotated Anodyne O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000082072656 HE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000082072658 HE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000082072659 HE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 ZINC000082072660 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082072737 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082072739 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082072741 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082072743 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082072807 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082072809 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082072811 HE Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082072814 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082073380 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)OCCOCCN(C)C)co2)cc1 ZINC000082073382 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)OCCN)co2)cc1 ZINC000082074409 HE Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)OCCN)co2)cc1 ZINC000082074413 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)OCCOCCN2CCNCC2)cs1 ZINC000082074973 HE Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCCNCC2)cs1 ZINC000082076496 HE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081251 HE Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081252 HE Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081253 HE Annotated Anodyne O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081254 HE Annotated Anodyne NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081328 HE Annotated Bother NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082081329 HE Annotated Bother NCCOC(=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081426 HE Annotated Bother NCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000082081427 HE Annotated Bother CN(C)CCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081566 HE Annotated Anodyne CN(C)CCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cccs3)n2)C1 ZINC000082081567 HE Annotated Anodyne NCCOC(=O)c1ccc(CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000082081779 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)OCCN)C(C)C)cs2)c1 ZINC000082082331 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)OCCN)C(C)C)cs2)c1 ZINC000082082332 HE Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN(C)C ZINC000082082631 HE Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCOCCN(C)C ZINC000082082632 HE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccccc1N ZINC000082082852 HE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCc1ccccc1N ZINC000082082854 HE Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082924 HE Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CCCCNC1=O ZINC000082082926 HE Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082928 HE Annotated Anodyne C[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@H]1CCCCNC1=O ZINC000082082929 HE Annotated Anodyne CNc1nc2cnc(N=c3cc[nH]cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 ZINC000082083062 HE Annotated Anodyne N#Cc1ccc(-c2ccc3c(n2)C(=O)N(C/C(O)=N/CCCN2CCOCC2)C3)cc1 ZINC000082083573 HE Annotated Mild Cc1cc(Nc2ccc3c(n2)C(=O)N([C@H](C)/C(O)=N/C2CCC(O)CC2)C3)n(C)n1 ZINC000082083604 HE Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083725 HE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCC(C)(C)N(C)C ZINC000082083728 HE Annotated Anodyne C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCCCN(C)C ZINC000082083730 HE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCCCN(C)C ZINC000082083732 HE Annotated Anodyne C[C@H](/C(O)=N/c1ccc2c(c1)OCO2)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083761 HE Annotated Mild C[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCc1ccccn1 ZINC000082083765 HE Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCc1ccccn1 ZINC000082083766 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCN(C)C)cs2)c1 ZINC000082083840 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C)C(=O)OCCN(C)C)cs2)c1 ZINC000082083841 HE Annotated Anodyne C[C@H](/C(O)=N/CCOc1ccccc1)N1Cc2ccc(N3CCOCC3)nc2C1=O ZINC000082083843 HE Annotated Mild CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084258 HE Annotated Anodyne CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084259 HE Annotated Anodyne Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084747 HE Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)NCc3ccco3)cs2)c1 ZINC000082084785 HE Annotated Anodyne COc1cccc(CNC(=O)CNC(=O)c2coc(-c3cccs3)n2)c1OC ZINC000082084795 HE Annotated Anodyne Nc1ccccc1CNC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084805 HE Annotated Bother O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)N[C@@H]1CCCCNC1=O ZINC000082084823 HE Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccc3ccccc3c2)n1)N[C@H]1CCCCNC1=O ZINC000082084824 HE Annotated Anodyne O=C(CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)NCCCN1CCCC1 ZINC000082084842 HE Annotated Bother CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084926 HE Annotated Bother CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084927 HE Annotated Bother CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082084928 HE Annotated Bother CN(C)C(C)(C)COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084974 HE Annotated Bother CN(C)CCCCOC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084975 HE Annotated Bother CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082084976 HE Annotated Bother CN(C)CCOCCOC(=O)CNC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084983 HE Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085434 HE Annotated Bother CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085435 HE Annotated Bother CN(C)CCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085519 HE Annotated Anodyne CN(C)CCOCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 ZINC000082085520 HE Annotated Anodyne CN(C)CCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085545 HE Annotated Bother CN(C)CCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085546 HE Annotated Bother CN(CC(=O)NCc1ccccc1N)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085620 HE Annotated Anodyne CCCCOCCCNC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085623 HE Annotated Anodyne CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085638 HE Annotated Anodyne CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085639 HE Annotated Anodyne CN(CC(=O)N[C@@H]1CCCCNC1=O)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085676 HE Annotated Anodyne CN(CC(=O)N[C@H]1CCCCNC1=O)C(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085677 HE Annotated Anodyne CN(CC(=O)OCC(C)(C)N(C)C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085781 HE Annotated Anodyne CN(C)CCCCOC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085782 HE Annotated Anodyne CCCCOC(=O)COC(=O)CN(C)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085783 HE Annotated Anodyne CN(CC(=O)OCCc1ccccn1)C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085788 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCN(C)C)cs2)c1 ZINC000082085804 HE Annotated Anodyne NCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086034 HE Annotated Anodyne NCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000082086035 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCC(C)(C)N(C)C)cs2)c1 ZINC000082089330 HE Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCCCN(C)C)cs2)c1 ZINC000082089332 HE Annotated Anodyne CCNc1nc(NCCCNC(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 ZINC000082118707 HE Annotated Anodyne CCNc1nc(NCC(C)(C)CNC(=O)COC)nc2cc(OC)c(OC)cc12 ZINC000082119902 HE Annotated Anodyne COc1ccccc1CNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082126477 HE Annotated Anodyne COc1ccccc1CNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082126480 HE Annotated Anodyne COc1cccc(CNc2nc(NC[C@H](O)CO)nc3cc(OC)c(OC)cc23)c1 ZINC000082126515 HE Annotated Anodyne COc1cccc(CNc2nc(NC[C@@H](O)CO)nc3cc(OC)c(OC)cc23)c1 ZINC000082126519 HE Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129527 HE Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129529 HE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082134950 HE Annotated Bother CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135800 HE Annotated Bother CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135870 HE Annotated Bother CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135871 HE Annotated Bother CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135924 HE Annotated Bother CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136115 HE Annotated Bother CC[C@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082136117 HE Annotated Bother CC(=O)NCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(F)cc2)n1 ZINC000082140073 HE Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N2CCOCC2)nc1-c1ccco1 ZINC000082142467 HE Annotated Anodyne CC(=O)NCCNc1ncc(C(=O)N(C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148407 HE Annotated Bother COCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149253 HE Annotated Mild CC(=O)NCCNc1ncc(C(=O)N2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082149972 HE Annotated Bother COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(C)c2N2CCOCC2)c(C)c1C ZINC000082150053 HE Annotated Anodyne CCCn1c(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)n[nH]c1=S ZINC000082152054 HE Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](NC(=S)Nc1ccc(OC(F)(F)F)cc1)C2 ZINC000082152355 HE Annotated Bother CN1C[C@H]2CN(c3ccc4c(c3)C(=O)c3cc(N5C[C@@H]6CN(C)[C@@H]6C5)ccc3-4)C[C@H]21 ZINC000082153306 HE Annotated Anodyne CN(C)CCCN1C(=O)c2cccc3c2c(cc2nnn(CCCN(C)C)c23)C1=O ZINC000082153524 HE Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082154826 HE Annotated Mild CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(=O)[nH]c4)nn3C)ccc2[nH]1 ZINC000082156773 HE Annotated Anodyne C[C@H]1COc2c(NCCCn3cccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 ZINC000082157788 HE Annotated Anodyne CCOC(=O)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12 ZINC000082157896 HE Annotated Reactive CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc(C#N)cc2)CC1 ZINC000082158676 HE Annotated Mild COC(=O)c1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCNC(C)=O)cc1 ZINC000082177896 HE Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCC4CC4)ncnc3n2CCNC(C)=O)cc1 ZINC000082179841 HE Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCCO)c(C)c1 ZINC000082191187 HE Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2C1CCCC1)C(N)=O ZINC000082191297 HE Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C1CC1)C3 ZINC000082196001 HE Annotated Anodyne CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 ZINC000082196002 HE Annotated Anodyne COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CC(C)C)nn3CC(F)(F)F)C1 ZINC000082196021 HE Annotated Anodyne CC(=O)OC(C)(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196118 HE Annotated Anodyne COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)C(C)C)C3 ZINC000082196250 HE Annotated Anodyne CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196299 HE Annotated Anodyne COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196301 HE Annotated Anodyne CCOC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3C)C1 ZINC000082196319 HE Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198439 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198440 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198441 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000082198572 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000082198573 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000082198574 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCc3cccc(F)c3)n2)CC1 ZINC000082203881 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)[C@@H]3CCC[C@H](OC)C3)n2)CC1 ZINC000082204177 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)[C@H]3CCC[C@H](OC)C3)n2)CC1 ZINC000082204179 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)[C@@H]3CCC[C@@H](OC)C3)n2)CC1 ZINC000082204181 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)[C@H]3CCC[C@@H](OC)C3)n2)CC1 ZINC000082204183 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(N[C@@H](C)C3CCC(OC)CC3)n2)CC1 ZINC000082204185 HE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)CCN3)cc1 ZINC000082204561 HE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)CCN3)cc1 ZINC000082204736 HE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)CCN2 ZINC000082204756 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082204997 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205004 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205009 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205014 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082205204 HE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205218 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205221 HE Annotated Anodyne O=c1c(NCC2CC2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 ZINC000082205241 HE Annotated Anodyne C=CCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205309 HE Annotated Mild O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)C[C@H](Cc1ccccc1)N2)C1CC1 ZINC000082205350 HE Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205540 HE Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205593 HE Annotated Mild CC(C)n1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205610 HE Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205634 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205674 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205690 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205731 HE Annotated Anodyne NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205928 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205983 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccco1 ZINC000082205996 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccncc1 ZINC000082206007 HE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206217 HE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206219 HE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206224 HE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206226 HE Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206376 HE Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206378 HE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206416 HE Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206418 HE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C(C)C)N3)cc1 ZINC000082206534 HE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C(C)C)N3)cc1 ZINC000082206536 HE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206765 HE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206767 HE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206886 HE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206888 HE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206894 HE Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206896 HE Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206908 HE Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082206910 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082207409 HE Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208426 HE Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208427 HE Annotated Anodyne NCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208804 HE Annotated Anodyne NCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208808 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208883 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208885 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208925 HE Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208926 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208927 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208932 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209733 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209739 HE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209762 HE Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209765 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209774 HE Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209776 HE Annotated Anodyne C=CCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209913 HE Annotated Mild C=CCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209918 HE Annotated Mild COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209942 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082209991 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082209993 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2)C1CC1 ZINC000082210166 HE Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2)C1CC1 ZINC000082210167 HE Annotated Anodyne CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210460 HE Annotated Anodyne CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210464 HE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211311 HE Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211314 HE Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211531 HE Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccccc3)c(=O)n21 ZINC000082211532 HE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@H](C)CN3)cc1 ZINC000082211544 HE Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccccc4)c2=O)[C@@H](C)CN3)cc1 ZINC000082211547 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211696 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211699 HE Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000082211703 HE Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211752 HE Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccsc3)c(=O)n21 ZINC000082211754 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211970 HE Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211972 HE Annotated Anodyne C[C@@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212250 HE Annotated Anodyne C[C@H]1CNc2c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212252 HE Annotated Anodyne C[C@@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212655 HE Annotated Anodyne C[C@H]1CNc2c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212657 HE Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccc(N(C)C)cc3)n2)CC1 ZINC000082213013 HE Annotated Clean COCCNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082214796 HE Annotated Mild CC(=O)NCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(C#N)cc1 ZINC000082217270 HE Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082219460 HE Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082219464 HE Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082219466 HE Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082224137 HE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082224478 HE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082224479 HE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082224485 HE Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082224487 HE Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCN(c4c(C)cccc4C)CC3)ccc2[nH]c1=O ZINC000082231295 HE Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)[C@@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231305 HE Annotated Anodyne CCOC(=O)CCc1nc2nc(N(C)[C@H](C)[C@H](O)c3ccccc3)ccc2[nH]c1=O ZINC000082231306 HE Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCN(c4cccc(C)c4)[C@H](C)C3)ccc2[nH]c1=O ZINC000082231412 HE Annotated Anodyne C[C@H](O)CN(C[C@@H](C)O)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 ZINC000082231415 HE Annotated Anodyne CN1/C(=C\C(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)c2ccccc21 ZINC000083817821 HE Annotated Mild O=C(Cc1ccccc1)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000084415182 HE Annotated Anodyne CNCC(=O)Oc1c(C)c(C)c2c(c1C)C[C@@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000084525204 HE Annotated Anodyne CNCC(=O)Oc1c(C)c(C)c2c(c1C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 ZINC000084525205 HE Annotated Anodyne Cc1noc2c(Cc3ccc([N+](=O)[O-])cc3)nn(Cc3n[nH]c(=S)n3C)c(=O)c12 ZINC000084587753 HE Annotated Bother CNc1nnc(Cn2nc(Cc3ccc([N+](=O)[O-])cc3)c3onc(C)c3c2=O)s1 ZINC000084587771 HE Annotated Bother O=C(CN1CCCCC1)N1CCc2[nH]c(-c3cc4c(F)cccc4[nH]c3=O)nc2C1 ZINC000084596895 HE Annotated Anodyne CC(=O)Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1ccccc1 ZINC000084602787 HE Annotated Reactive CC1=Nc2ccc(Br)cc2C(=S)C1(P(=O)(O)O)P(=O)(O)O ZINC000084603802 HE Annotated Clean COC(=O)CN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1)OCO3 ZINC000084605438 HE Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCC[C@@H](N)C(=O)O)c2ncccc2c1 ZINC000084615274 HE Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCC[C@@H](N)C(=O)O)c2ncccc2c1 ZINC000084615277 HE Annotated Anodyne COc1ccc2[nH]c(=O)c(-c3nc4c([nH]3)CCN(C(=O)CN3CCCCC3)C4)cc2c1 ZINC000084616640 HE Annotated Anodyne COc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 ZINC000084616887 HE Annotated Anodyne O=C(CN1CCCCC1)N1CCc2[nH]c(-c3cc4cc(F)ccc4[nH]c3=O)nc2C1 ZINC000084617674 HE Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC ZINC000084618401 HE Annotated Mild O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CCC(F)(F)C1 ZINC000084618573 HE Annotated Anodyne O[C@](Cc1cn(Cc2ccccc2F)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084619571 HE Annotated Anodyne O[C@@](Cc1cn(Cc2ccccc2F)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084619574 HE Annotated Anodyne O[C@](Cc1cn(Cc2ccc(F)cc2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084620152 HE Annotated Anodyne O[C@@](Cc1cn(Cc2ccc(F)cc2)nn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000084620155 HE Annotated Anodyne COc1cc([C@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc(OC)c1OC ZINC000084632054 HE Annotated Anodyne COc1cc([C@@H]2SCCC(=O)N2NC(=O)c2ccncc2)cc(OC)c1OC ZINC000084632056 HE Annotated Anodyne N#Cc1ccccc1Cn1cc(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1 ZINC000084634247 HE Annotated Mild N#Cc1ccccc1Cn1cc(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1 ZINC000084634250 HE Annotated Mild N#Cc1cccc(Cn2cc(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1 ZINC000084634253 HE Annotated Mild N#Cc1cccc(Cn2cc(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1 ZINC000084634255 HE Annotated Mild C[C@@H](/C(O)=N/S(=O)(=O)C1CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 ZINC000084634479 HE Annotated Unstable Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(N)n1 ZINC000084634939 HE Annotated Anodyne c1cnc([C@@H]2CN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)CCO2)cn1 ZINC000084652197 HE Annotated Anodyne c1cnc([C@H]2CN(c3nnc(N4CCC(N5CCCCC5)CC4)s3)CCO2)cn1 ZINC000084652198 HE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(NC)nn3c2)c1F ZINC000084652942 HE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)N(C)c2cc(N)ncn2)c1F ZINC000084668843 HE Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]ncc23)c1F ZINC000084668844 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@@H]2CCCCN2)sc1CO ZINC000084669618 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@@H]2CCCCN2)sc1CO ZINC000084669619 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CO ZINC000084669620 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CO ZINC000084669621 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CO ZINC000084669622 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CO ZINC000084669623 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CO ZINC000084669624 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CO ZINC000084669625 HE Annotated Anodyne CCOCn1c(Cc2cc(C)cc(C)c2)c(I)c(=O)[nH]c1=O ZINC000084670053 HE Annotated Anodyne CCOCn1c(Cc2cc(F)cc(F)c2)c(I)c(=O)[nH]c1=O ZINC000084670054 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCN2)sc1CO ZINC000084671570 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCN2)sc1CO ZINC000084671571 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCN2)sc1CO ZINC000084671572 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCN2)sc1CO ZINC000084671573 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCN2)sc1CCO ZINC000084671574 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCN2)sc1CCO ZINC000084671575 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCN2)sc1CCO ZINC000084671576 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCN2)sc1CCO ZINC000084671577 HE Annotated Anodyne CN(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1 ZINC000084687317 HE Annotated Anodyne CN(C)C(=O)[C@@H](CN1CCC2(CC1)OCCc1cc(F)sc12)Cn1cccn1 ZINC000084687318 HE Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)CCl)CC1 ZINC000084706156 HE Annotated Reactive CCC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(-c2nnn[nH]2)c1 ZINC000084706951 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)cc1F ZINC000084706999 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)cc1F ZINC000084707001 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)cc1F ZINC000084707002 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)cc1F ZINC000084707005 HE Annotated Anodyne Cc1ccc2nc(C)n(-n3c(N)c(C#N)c(-c4ccccc4)c(C#N)c3=O)c(=O)c2c1 ZINC000084713712 HE Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cccnc3)c(Cn3nnc4ccccc43)cc(=O)n21 ZINC000084714731 HE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(C[C@@H]2CCCO2)c(=O)c1O ZINC000084727882 HE Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(C[C@H]2CCCO2)c(=O)c1O ZINC000084727886 HE Annotated Anodyne O=P(O)(O)C(Nc1cc(-c2ccc(OC3CC3)cc2)ccn1)P(=O)(O)O ZINC000084730375 HE Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)c2cccnc2)[C@H]3C1)OCO5 ZINC000084730644 HE Annotated Anodyne COc1ccc(-c2c[nH]/c(=N/C(=O)CCCCN3CCCN(C(C)=O)CC3)[nH]2)cc1 ZINC000084741463 HE Annotated Anodyne Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(N3CCOCC3)nc21 ZINC000084742453 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)NC2CCCCCC2)[C@@H]2CCCCN2)sc1CCO ZINC000084756731 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)NC2CCCCCC2)[C@@H]2CCCCN2)sc1CCO ZINC000084756733 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)NC2CCCCCC2)[C@H]2CCCCN2)sc1CCO ZINC000084756737 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)NC2CCCCCC2)[C@H]2CCCCN2)sc1CCO ZINC000084756741 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCNC2)sc1CO ZINC000084756759 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCNC2)sc1CO ZINC000084756762 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CO ZINC000084756764 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CO ZINC000084756766 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@@H]2CCCCN2)sc1CO ZINC000084757985 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@@H]2CCCCN2)sc1CO ZINC000084757987 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@H]2CCCCN2)sc1CO ZINC000084757989 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@H]2CCCCN2)sc1CO ZINC000084757992 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)c(F)c1 ZINC000084757993 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)c(F)c1 ZINC000084757996 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)c(F)c1 ZINC000084757998 HE Annotated Anodyne Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)c(F)c1 ZINC000084757999 HE Annotated Anodyne NC(=S)c1ccc(OC(=O)c2ccccc2OC(=O)CCCO[N+](=O)[O-])cc1 ZINC000084758073 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)NC2CCCCCC2)[C@@H]2CCCCN2)sc1CO ZINC000084758153 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)NC2CCCCCC2)[C@@H]2CCCCN2)sc1CO ZINC000084758154 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)NC2CCCCCC2)[C@H]2CCCCN2)sc1CO ZINC000084758155 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)NC2CCCCCC2)[C@H]2CCCCN2)sc1CO ZINC000084758156 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084758289 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@@H]2CCCCN2)sc1CCO ZINC000084758290 HE Annotated Anodyne Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084758291 HE Annotated Anodyne Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2)[C@H]2CCCCN2)sc1CCO ZINC000084758292 HE Annotated Anodyne CCc1ccc(-n2c(SCC(=O)Nc3cc(C)[nH]n3)nc3n[nH]cc3c2=O)cc1 ZINC000008578713 HE Annotated Anodyne CC(C)CO/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000008585701 HE Annotated Mild CC(C)CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000008585702 HE Annotated Mild CCOc1ccc(NC(=O)Cn2nnc(-c3nc(-c4ccncc4)no3)c2N)cc1 ZINC000008591941 HE Annotated Anodyne Cn1cnc2c(=O)oc3ccc(S(=O)(=O)N4CCN(c5ccccc5)CC4)cc3c21 ZINC000008594432 HE Annotated Anodyne COc1ccc(Cl)cc1NC(=O)Cn1nnc(C(=O)NCc2cccs2)c1N ZINC000008595317 HE Annotated Anodyne aggregator COc1cc(-c2cc3n(C)c(C)c(CCC(=O)O)c(=O)n3n2)cc(OC)c1OC ZINC000008595579 HE Annotated Anodyne Cn1c(=O)n(-c2ccc3c(c2)OCO3)c2nc(-c3ccc(Cl)cc3)nc(C(N)=O)c21 ZINC000008598910 HE Annotated Anodyne Cc1ccc(CNC(=O)CN2CCCN(Cc3ccc(F)cc3)S2(=O)=O)cc1 ZINC000008607184 HE Annotated Anodyne CC(C)OCCCNC(=O)CCCN1C(=O)CCn2nc(-c3cccn3C)cc21 ZINC000008609605 HE Annotated Anodyne Cc1ccc2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(O)nc2c1 ZINC000008617354 HE Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCOCC2)cc1N/N=C(\C#N)c1nc2ccccc2[nH]1 ZINC000008685617 HE Annotated Mild COc1cc(/C=N/N=C(/S)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1O ZINC000008687913 HE Annotated Mild COc1ccc(O)c(/C=N/N=C(/S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000008687996 HE Annotated Mild COc1cc(C(=O)N/N=C2\CCS(=O)(=O)c3ccc(F)cc32)cc(OC)c1OC ZINC000008774369 HE Annotated Reactive COC(=O)CCC(=O)O[C@@]1(C)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860666 HE Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C=C2C=C(c3ccc(C#N)cc3)OC=C2C1=O ZINC000008860667 HE Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000008860706 HE Annotated Mild CCCCC1=CC2=C(OC(C)=O)C(=O)[C@](C)(OC(=O)CCC(=O)OC)C(=O)C2=CO1 ZINC000008860707 HE Annotated Mild C[C@@H](O)Cc1oc2cc(O)c3c(c2c(=O)c1O)O[C@@H](c1ccc(O)c(O)c1)CC3=O ZINC000085487617 HE Annotated Clean in-vitro biogenic C[C@@H]1N[C@H](C2CCC(CCCCC[C@@H](O)CC(=O)O)CC2)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000085488192 HE Annotated Mild in-vitro biogenic C[C@H]1[C@H](O)C[C@H]([N+]2=CC=N[CH+]2)[C@H]2C[C@H](CCCCCCC[C@@H](O)CC(=O)O)CCN12 ZINC000085488204 HE Annotated Mild in-vitro biogenic CCNC[C@@](O)(CC[C@H](CO)CCCCCC[C@@H]1CC[C@@H](O)[C@H](C)N1)CC(=O)O ZINC000085488241 HE Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)[C@]13CC[N+]4([O-])C/C(=C\CO)[C@H](C[C@@H]14)C1=CCC(=O)N2[C@@H]13 ZINC000085509269 HE Annotated Bother in-vitro biogenic CC[C@H](O)[C@@H]1CCC[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532532 HE Annotated Anodyne in-vitro biogenic CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(C)CC1 ZINC000085562885 HE Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@@H](C)O)[C@](C)([C@@]2(C)CC1)[C@@]31CO1 ZINC000085562887 HE Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@H](C)O)[C@@](C)([C@]34CO4)[C@@]2(C)CC1 ZINC000085562906 HE Annotated Anodyne CC1=C[C@H]2O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@H](O)[C@H](C)O)[C@](C)([C@@]2(C)CC1)[C@@]31CO1 ZINC000085562911 HE Annotated Anodyne COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCC1=C[CH+]N=C1)C(=O)c1ccccc1C2=O ZINC000085592730 HE Annotated Mild in-vitro biogenic CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC/C=C(\C)CO)cc2)(SC)C(=O)N1C ZINC000085592868 HE Annotated Anodyne CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3ccc(OC)cc3[C@H]1O)CO2 ZINC000085593020 HE Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3cc(CCCO)c(OC)cc3[C@@H]1O)CO2 ZINC000085593022 HE Annotated Anodyne in-vitro biogenic O=c1cc(CO)oc2cc3c(c(O)c12)C[C@@H](O)[C@](CO)(C/C=C/c1ccccc1)O3 ZINC000085593570 HE Annotated Anodyne in-vitro biogenic CC1(C)Oc2cc3oc([C@H](O)c4cc(O)cc(O)c4)cc(=O)c3c(O)c2C[C@H]1O ZINC000085593585 HE Annotated Anodyne in-vitro biogenic CNCC[C@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(=O)c4c3O)OC2(C)C)O[C@@H]1C ZINC000085594159 HE Annotated Anodyne in-vitro biogenic CNCC[C@@]1(C(=O)O[C@@H]2Cc3c(cc4oc(C)cc(=O)c4c3O)OC2(C)C)O[C@@H]1C ZINC000085594160 HE Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1C)C3 ZINC000085594161 HE Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1C)C3 ZINC000085594163 HE Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)c(CCO)c(=O)c3c2OC2CCCC2)O1 ZINC000085594463 HE Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc(CO)c(CC=O)c(=O)c3c2OC2CCCC2)O1 ZINC000085594467 HE Annotated Mild in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595324 HE Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595326 HE Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000085597268 HE Annotated Reactive in-man endogenous CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000085597270 HE Annotated Reactive in-man CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000085597271 HE Annotated Reactive in-man endogenous CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O ZINC000085597272 HE Annotated Reactive in-man Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@H]3CC(C)(C)C[C@H]3[C@H](O)[C@@H](CO)[C@]12O ZINC000085598475 HE Annotated Anodyne CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=CC=NC3=C2)c1 ZINC000085629176 HE Annotated Anodyne in-vitro biogenic COC(=O)/C(=C1/OC(=O)C(c2ccc(O)c(OC)c2)=C1O)c1ccc(O)c(O)c1 ZINC000085637422 HE Annotated Clean C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)C(=O)CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(COC(C)=O)=C12 ZINC000085690451 HE Annotated Anodyne C=C([C@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000085723147 HE Annotated Mild in-man C=C([C@@H](CC=C(C)C)OC(=O)/C(C)=C\C)[C@@H]1[C@H](O)[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(C)=O ZINC000085723148 HE Annotated Mild in-man C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 ZINC000085723797 HE Annotated Anodyne C=CCC1=C(O)C(=O)C2=C(C1=O)[C@@H](O)[C@@H](OC(C)=O)[C@@H]1C(C)=C(C)C(=O)C[C@]21C ZINC000085776192 HE Annotated Mild COc1cc([C@@H]2OC[C@@H]([C@H](O)c3ccc4c(c3)OCO4)[C@H]2CO)cc(OC)c1OC ZINC000085833588 HE Annotated Anodyne CC1=C[C@@H](C[C@@](C)(O)[C@H](O)COc2c3occc3cc3ccc(=O)oc23)OC1=O ZINC000085919654 HE Annotated Anodyne CC(=O)OC1=C(c2ccc(O)cc2)C(=O)C(OC(C)=O)=C(c2ccc(O)cc2)C1=O ZINC000085969940 HE Annotated Mild COC(=O)N1c2ccc(OC)cc2[C@]23CCN4C(=O)C=C[C@]45CC[C@]12[C@@H](C5)C(=O)O3 ZINC000085995713 HE Annotated Anodyne COC(=O)C1=CO[C@H](C)[C@@H]2[C@H]1Cc1nc(C(=O)O)cc3c4cc(O)ccc4n(c13)[C@@H]2O ZINC000086041884 HE Annotated Anodyne CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N ZINC000087527999 HE Annotated Anodyne in-vitro NS(=O)(=O)c1ccc(NNc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 ZINC000087609152 HE Annotated Anodyne C[C@@]1(CNC(=O)c2ccc(-c3ccc(Br)cc3)cc2)NC(=O)NC1=O ZINC000087613061 HE Annotated Anodyne C[C@]1(CNC(=O)c2ccc(-c3ccc(Br)cc3)cc2)NC(=O)NC1=O ZINC000087613062 HE Annotated Anodyne CC(C)(C)C(=O)OCCn1cc(CCCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)nn1 ZINC000087613102 HE Annotated Anodyne CC(C)(C)C(=O)OCCn1cc(CCCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)nn1 ZINC000087613103 HE Annotated Anodyne CC(C)(C)C(=O)OCCn1cc(CCCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)nn1 ZINC000087613105 HE Annotated Anodyne NS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccccc3)cc2)n1 ZINC000089456442 HE Annotated Anodyne NNC(=O)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@@H]23)s1 ZINC000089469179 HE Annotated Reactive NNC(=O)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@H]23)s1 ZINC000089469181 HE Annotated Reactive COC(=O)[C@@H]1CC=C(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@H]23)O1 ZINC000089469185 HE Annotated Anodyne COC(=O)[C@H]1CC=C(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@H]23)O1 ZINC000089469187 HE Annotated Anodyne COC(=O)[C@@H]1CC=C(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@@H]23)O1 ZINC000089469189 HE Annotated Anodyne COC(=O)[C@H]1CC=C(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@@H]23)O1 ZINC000089469191 HE Annotated Anodyne CCc1ccc(-c2cc3c(=O)n(CC(=O)NCc4ccccn4)nc(C)n3n2)cc1 ZINC000009251958 HE Annotated Anodyne COc1ccc(-c2nc(SCc3cccnc3)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 ZINC000009382395 HE Annotated Anodyne Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)N4CCOCC4)c(=O)n(C)c32)cc1 ZINC000009526297 HE Annotated Anodyne Cc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C ZINC000009526423 HE Annotated Anodyne O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009570797 HE Annotated Anodyne O=C(NCc1nnnn1-c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000009570798 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)/C=C3/CN4CCC3CC4)C2)cc1 ZINC000095467423 HE Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)/C=C3/CN4CCC3CC4)C2)cc1 ZINC000095467424 HE Annotated Anodyne CC[C@]1(C)OC[C@H]2CC(=O)[C@@H]3[C@H]([C@H](O)C[C@]4(C)[C@H](c5ccoc5)OC(=O)[C@@H]5O[C@]534)[C@@H]21 ZINC000095485941 HE Annotated Anodyne in-vitro biogenic C=C1C(=O)CO[C@@H]2/C=C(\COC(C)=O)C/C=C(/C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 ZINC000095486312 HE Annotated Reactive in-vitro biogenic CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OCC[C@@]41O ZINC000095555334 HE Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000095556209 HE Annotated Bother CNc1snc(SCc2nnc3ncc(-c4ccc(F)cc4)nn23)c1C(N)=O ZINC000095556261 HE Annotated Anodyne CC(C)(C)OC(=O)N1CC(c2nc3nc(N)c(C(N)=O)cc3cc2Br)C1 ZINC000095557517 HE Annotated Anodyne C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095558772 HE Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(N)c3)cc21 ZINC000095558773 HE Annotated Mild CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 ZINC000095561541 HE Annotated Mild C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 ZINC000095561595 HE Annotated Mild C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3ccc(N)cc3)cc21 ZINC000095561596 HE Annotated Mild CNc1cc(Nc2cnc(C#N)c(O[C@@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 ZINC000095562914 HE Annotated Mild CNC(=O)c1cc(CN2CCC(C#N)(c3ccccn3)CC2)c2ccccn2c1=O ZINC000095563041 HE Annotated Mild COc1ccc2[nH]c3c(C)c4cc[n+]([C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000095564722 HE Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+]([C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)cc4c(C)c3c2c1 ZINC000095564723 HE Annotated Bother O=C(Cc1cn(CCNCCO)nc1C(F)(F)F)NCc1ccc(F)cc1Cl ZINC000095565468 HE Annotated Anodyne CN1C[C@](C)(CO)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)ccc21 ZINC000095565932 HE Annotated Anodyne CN1C[C@@](C)(CO)Oc2cc(N(Cc3cc(F)cc(F)c3)C(=O)C(=O)O)ccc21 ZINC000095565933 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccccc1 ZINC000095566575 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccccc1 ZINC000095566629 HE Annotated Anodyne C[C@@H]1COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc2S(=O)(=O)N1 ZINC000095566658 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccccc1 ZINC000095567195 HE Annotated Anodyne C[C@H]1COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc2S(=O)(=O)N1 ZINC000095567888 HE Annotated Anodyne CNC[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095568676 HE Annotated Mild O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccccc1 ZINC000095569465 HE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccccc1 ZINC000095570038 HE Annotated Anodyne CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(CCN(C)C)CC1 ZINC000095570053 HE Annotated Anodyne CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(CCN(C)C)CC1 ZINC000095570054 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccccc1 ZINC000095570177 HE Annotated Anodyne C[C@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000095570954 HE Annotated Anodyne CN(C)CCN1CCN([C@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095571037 HE Annotated Anodyne CN(C)CCN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 ZINC000095571038 HE Annotated Anodyne Cc1cccc(CN2CCN([C@@H]3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)c1 ZINC000095571290 HE Annotated Anodyne Cc1cccc(CN2CCN([C@H]3CN(Cc4ccc(F)cc4)S(=O)(=O)C3)CC2)c1 ZINC000095571291 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccccc1 ZINC000095571556 HE Annotated Anodyne CCOC(=O)[C@]12Cc3cc(OC)ccc3[C@H]1N(CC(=O)OC)C(=O)c1ccccc12 ZINC000095571569 HE Annotated Anodyne O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCC1 ZINC000095572053 HE Annotated Anodyne O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCC(O)CC3)c2C1 ZINC000095574276 HE Annotated Anodyne O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCOCC3)c2C1 ZINC000095576120 HE Annotated Anodyne Cc1ccc(CN2C[C@@H](C)[C@H](c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)cn1 ZINC000095577024 HE Annotated Anodyne CN(C)C(=O)c1nn(C)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 ZINC000095579677 HE Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Br)cc2)N1 ZINC000095581205 HE Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Br)cc2)N1 ZINC000095581206 HE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(Br)cc2)N1 ZINC000095581207 HE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(Br)cc2)N1 ZINC000095581208 HE Annotated Anodyne COc1cc(N2CCN(C(=O)Cn3nc(CO)c(Cl)c3C)CC2)ccc1Cl ZINC000095581478 HE Annotated Anodyne CON1CCN/C1=N/c1ccc(CCc2ccc(/N=C3\NCCN3OC)cc2)cc1 ZINC000095582097 HE Annotated Mild O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2cccc(Br)c2)N1 ZINC000095582458 HE Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2cccc(Br)c2)N1 ZINC000095582459 HE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2cccc(Br)c2)N1 ZINC000095582460 HE Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2cccc(Br)c2)N1 ZINC000095582461 HE Annotated Anodyne O=C1O[C@@H](CO)[C@@H]2COc3cc(-c4ccc(N5C[C@@H]6CCCN[C@@H]6C5)nc4)ccc3N12 ZINC000095582491 HE Annotated Anodyne COC(=O)C=C1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000095583458 HE Annotated Anodyne COC1=C(OC)C(=O)C(CCCOCc2cccc(S(=O)(=O)O)c2)=C(C)C1=O ZINC000095583464 HE Annotated Mild CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(C#N)cc4[nH]ccc34)n2)CC1 ZINC000095583519 HE Annotated Mild CC(C)N1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)C1=O ZINC000095583782 HE Annotated Anodyne CN1CCC(Oc2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000095585855 HE Annotated Anodyne COc1c(C)cnc(Cn2c3ccccc3n3c(=O)cc(N4CCNCC4)nc23)c1C ZINC000095586661 HE Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCSCCO)ccc31)C(=O)c1ccncc1-2 ZINC000095587731 HE Annotated Clean COC(=O)/C=C/c1cc(OC)c(O)c2c1C[C@@H]1[C@@H]3C=C(OC)C(=O)C[C@]23CCN1C ZINC000095587945 HE Annotated Mild CN(C)CCn1nc2c3c(c(NCCC#CCCO)ccc31)C(=O)c1ccncc1-2 ZINC000095589727 HE Annotated Mild O=c1n(Cc2nc(-c3ncccn3)cn2CCCCO)c2cnccc2n1C1CC1 ZINC000095590436 HE Annotated Anodyne COCCc1sc[n+](CCCc2cn(CCc3sc[n+](C)c3C)nn2)c1C ZINC000095595699 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)NC[C@H]1C ZINC000095600303 HE Annotated Anodyne O=C(CC1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095600349 HE Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 ZINC000095602363 HE Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2ccccn2)CC1 ZINC000095602364 HE Annotated Anodyne CCCN(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000095602489 HE Annotated Bother [O-][n+]1nc2c(I)cnn2c2cc(NCc3ccco3)ccc21 ZINC000095603300 HE Annotated Anodyne CC[C@@H](C(=O)O)N1Cc2sc(N3CCN(c4ccccc4)CC3)cc2S1(=O)=O ZINC000095603955 HE Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(N3CCN(c4ccccc4)CC3)cc2S1(=O)=O ZINC000095603956 HE Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(c3ccccc3F)CC1)C(=O)N2 ZINC000095604817 HE Annotated Anodyne Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(c3ccccc3F)CC1)C(=O)N2 ZINC000095604818 HE Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 ZINC000095604870 HE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCc3cccnc3)ccc21 ZINC000095604964 HE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCc3ccccn3)ccc21 ZINC000095605242 HE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 ZINC000095605404 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095605472 HE Annotated Anodyne [O-][n+]1nc2c(I)cnn2c2cc(NCc3ccncc3)ccc21 ZINC000095605542 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)NC[C@H]1C ZINC000095660983 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2cccnc2)C1 ZINC000095661023 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Cc2ccncc2)CC1 ZINC000095661061 HE Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095661263 HE Annotated Mild CC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095661387 HE Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095661461 HE Annotated Anodyne CC(=O)N(C)C[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095661697 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095662116 HE Annotated Anodyne O=C(NC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095662274 HE Annotated Anodyne O=S(=O)(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CC1 ZINC000095662884 HE Annotated Anodyne N#C[C@@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095662972 HE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095663045 HE Annotated Mild CCCC#Cc1ccc2c(c1)[C@@H]1[C@@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@@H](CO)N2 ZINC000095663185 HE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095663917 HE Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)NC1CCCC1)CC31CN(C)C1 ZINC000095663941 HE Annotated Anodyne CC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095663998 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CN(C(C)=O)C1 ZINC000095664231 HE Annotated Anodyne CCCNC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095664774 HE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095664959 HE Annotated Mild CCCNC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095664983 HE Annotated Mild CCCC(=O)N1CC2(C1)CN(C(=O)C1CC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095665836 HE Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)C1CC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095665925 HE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095666820 HE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095666904 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095667041 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3ccc(OC)cc3)ccc1N[C@H]2CO ZINC000095667153 HE Annotated Mild O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccncc1 ZINC000095667294 HE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccncc1 ZINC000095667297 HE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 ZINC000095667425 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095667566 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095667576 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095667835 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCOCC3)C23CN(C(=O)COC)C3)cc1 ZINC000095668264 HE Annotated Anodyne CCCC#Cc1ccc2c(c1)[C@H]1[C@H](CCN1S(=O)(=O)c1cn(C)cn1)[C@H](CO)N2 ZINC000095668493 HE Annotated Mild CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095676724 HE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095676726 HE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095676728 HE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095676730 HE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095676732 HE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095676734 HE Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccccc3F)[C@H](CO)O2)nn1 ZINC000095676736 HE Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccccc3F)[C@@H](CO)O2)nn1 ZINC000095676738 HE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO ZINC000095677948 HE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO ZINC000095677949 HE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO ZINC000095677950 HE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO ZINC000095677951 HE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO ZINC000095677952 HE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO ZINC000095677953 HE Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@H]1CO ZINC000095677954 HE Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(-c3cccc(F)c3)nn2)O[C@@H]1CO ZINC000095677955 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679701 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679702 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679703 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679704 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679706 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679707 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679709 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679711 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679901 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679902 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679903 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C)C[C@@H]1C ZINC000095679904 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C)C[C@H]1C ZINC000095679905 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C)C[C@@H]1C ZINC000095679906 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679907 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C)C[C@H]1C ZINC000095679908 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688211 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095688212 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095688213 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095688214 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095688215 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095688216 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688419 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688420 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688421 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688422 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688423 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)NC[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688424 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)NC[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688425 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688481 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688482 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688483 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688484 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(C)=O)[C@@H](C)CO2 ZINC000095688485 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688486 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(C)=O)[C@H](C)CO2 ZINC000095688487 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)NC[C@H]1C ZINC000095688599 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688600 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688601 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688602 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689799 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689802 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689804 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689806 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(C)=O)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095689808 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095689810 HE Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(C)=O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095689812 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095690282 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095690284 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690286 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095690288 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)NC[C@H]1C ZINC000095690290 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095690292 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690294 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095692218 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095692369 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095692406 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095692444 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@@H](C)NC[C@H]1C ZINC000095692452 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)NC[C@H]1C ZINC000095692461 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN[C@H](C)CO2 ZINC000095692477 HE Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095692536 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN[C@@H](C)CO2 ZINC000095692628 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)NC[C@@H]1C ZINC000095692648 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@H](C)CO2 ZINC000095692673 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN[C@@H](C)CO2 ZINC000095692716 HE Annotated Anodyne CNC[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699506 HE Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699507 HE Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095699508 HE Annotated Mild CNC[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095699509 HE Annotated Mild CNC[C@@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095699510 HE Annotated Mild CNC[C@H]1Oc2cc(C#CC3CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095699511 HE Annotated Mild C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708976 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708977 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708978 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708979 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708980 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708981 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)CC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095708982 HE Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)CC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095708983 HE Annotated Anodyne CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709229 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709230 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709231 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709232 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709233 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709234 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095709235 HE Annotated Mild CCCC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095709236 HE Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C ZINC000095710905 HE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095710907 HE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095710908 HE Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C ZINC000095710911 HE Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095710914 HE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)C ZINC000095710916 HE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095710919 HE Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)C ZINC000095710921 HE Annotated Anodyne CNC[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095711603 HE Annotated Mild CNC[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095711606 HE Annotated Mild CNC[C@@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095711608 HE Annotated Mild CNC[C@H]1Oc2cc(C#CCC(C)C)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095711610 HE Annotated Mild CNC[C@@H]1Oc2ncc(C#Cc3ccc(F)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095713745 HE Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716879 HE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716881 HE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095716883 HE Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716884 HE Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716886 HE Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@H]1CN(C)C ZINC000095716888 HE Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(-c3cccnc3)ccc2S1(=O)=O ZINC000095716891 HE Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3cccnc3)cc2O[C@@H]1CN(C)C ZINC000095716893 HE Annotated Anodyne CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726082 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726083 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726084 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726086 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726088 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726090 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095726092 HE Annotated Mild CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095726094 HE Annotated Mild CNC[C@@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095728174 HE Annotated Anodyne CNC[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095728177 HE Annotated Anodyne CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730292 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730476 HE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095730480 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730483 HE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095730487 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730491 HE Annotated Mild CCC(=O)N(C)C[C@@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730516 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730569 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730583 HE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095730601 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730646 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095730789 HE Annotated Mild CCC(=O)N(C)C[C@H]1Oc2ncc(C#CC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095730879 HE Annotated Mild CC(C)C#Cc1ccc2c(c1)O[C@H](CN(C)C)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095730935 HE Annotated Mild CNC[C@@H]1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731360 HE Annotated Mild CNC[C@H]1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731531 HE Annotated Mild CNC[C@H]1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095731728 HE Annotated Mild CNC[C@@H]1Oc2ncc(C#Cc3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731968 HE Annotated Mild CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732136 HE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732377 HE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732451 HE Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732519 HE Annotated Anodyne CNC[C@@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095732583 HE Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732661 HE Annotated Anodyne CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095732883 HE Annotated Anodyne CNC[C@@H]1Oc2ncc(C#Cc3cccc(F)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095782420 HE Annotated Mild COCC1=C([C@H](O)c2ccccc2)[C@H](CO)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000095783729 HE Annotated Anodyne C=CCN(Cc1ccccc1)C(=O)[C@@H]1N(C(C)(C)C)C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000095784405 HE Annotated Mild O=C(OC[C@@H]1[C@H]2c3ccccc3O[C@]1(CO)N=C1SCC(=O)N12)c1ccccc1 ZINC000095784812 HE Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095793894 HE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095793896 HE Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794039 HE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H](CO)N2S(C)(=O)=O ZINC000095794100 HE Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@H](CO)N2S(C)(=O)=O ZINC000095794102 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095794154 HE Annotated Anodyne O=C(C1CCOCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095794225 HE Annotated Anodyne O=C(C1CCOCC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccnc1)C2 ZINC000095794227 HE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794243 HE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794246 HE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794247 HE Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095794249 HE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095794251 HE Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794282 HE Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095794284 HE Annotated Anodyne O=C(Cc1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095794288 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)CC)C3)cc1 ZINC000095794336 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)CC)C3)cc1 ZINC000095794337 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)CC)C3)cc1 ZINC000095794339 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)CC)C3)cc1 ZINC000095794340 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794346 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCCC3)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794348 HE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Nc1ccccc1F)C2 ZINC000095794475 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095794496 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095794502 HE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095794696 HE Annotated Anodyne CC(C)NC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095794697 HE Annotated Anodyne CC(C)NC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095794699 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(C(=O)COC)C3)cc1 ZINC000095794733 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095794739 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794741 HE Annotated Anodyne O=C(C1CCOCC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794789 HE Annotated Anodyne O=C(C1CCOCC1)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794791 HE Annotated Anodyne O=C(C1CCOCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(CCC(F)(F)F)C2 ZINC000095794793 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794796 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095794797 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2C(C)=O ZINC000095794844 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095794923 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095794965 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095794966 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095794967 HE Annotated Anodyne CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095794980 HE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095794981 HE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095794982 HE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095794983 HE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095795022 HE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795023 HE Annotated Mild CC(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795024 HE Annotated Mild CC(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095795026 HE Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095795046 HE Annotated Anodyne CC(C)C#Cc1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795179 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095795180 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095795181 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095795182 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795183 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095795185 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095795186 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795187 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095795188 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795189 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095795190 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795191 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095795227 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@@H]23)cc1 ZINC000095795230 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Cc4ccccc4)C[C@H]23)cc1 ZINC000095795231 HE Annotated Mild O=C(c1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095795234 HE Annotated Mild COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)NC(C)C)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795235 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095795236 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095795237 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)c1 ZINC000095795238 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095795239 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)c1 ZINC000095795241 HE Annotated Anodyne CC(C)C#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795506 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095795507 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795508 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795509 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095795510 HE Annotated Mild CC(C)C#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095795511 HE Annotated Mild CC(C)C#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095795512 HE Annotated Mild O=C(C1CCCCC1)N1C[C@@H]2O[C@H](CNS(=O)(=O)c3ccccc3F)CC[C@@H]21 ZINC000095795566 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H]4CN(C(=O)NC(C)C)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095795655 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)cc1 ZINC000095795656 HE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795689 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795690 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095795691 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095795692 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795693 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795694 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795713 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095795714 HE Annotated Mild CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095795904 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CN(C(C)=O)C1 ZINC000095796006 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2cccnc2)C1 ZINC000095796040 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)c2ccc(F)cc2)C1 ZINC000095796071 HE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095796255 HE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(F)cc1 ZINC000095796257 HE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095796258 HE Annotated Anodyne CCS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(F)cc1 ZINC000095796259 HE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095796265 HE Annotated Anodyne O=C(c1ccncc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095796344 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)C2CCOCC2)CC1 ZINC000095796373 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CCN(C(=O)C2CCOCC2)CC1 ZINC000095796374 HE Annotated Anodyne CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095796650 HE Annotated Anodyne CN(C)CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cc(F)ccc1F)C2 ZINC000095796670 HE Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095796750 HE Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095796751 HE Annotated Anodyne O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095796753 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095796798 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095796799 HE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccc3c(c1)OCO3)C2 ZINC000095796800 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095796826 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095796827 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095796828 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095796989 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095797007 HE Annotated Anodyne O=C(c1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797125 HE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095797148 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797149 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@H]23)cc1 ZINC000095797150 HE Annotated Mild O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095797158 HE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccccc1 ZINC000095797182 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095797206 HE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797232 HE Annotated Mild O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095797250 HE Annotated Anodyne CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797264 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797265 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4cccnc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797266 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4cccnc4)C[C@@H]23)cc1 ZINC000095797267 HE Annotated Mild C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4ccccc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797268 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095797269 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@H]23)cc1 ZINC000095797270 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 ZINC000095797271 HE Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797298 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797299 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797300 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797301 HE Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095797306 HE Annotated Anodyne O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797330 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1 ZINC000095797331 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1 ZINC000095797332 HE Annotated Mild O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC3CC3)cc1)[C@@H]2CO ZINC000095797333 HE Annotated Mild CCCC[C@@H](O)C1=C(COC)C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1CO ZINC000095797351 HE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 ZINC000095797439 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095797452 HE Annotated Anodyne COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095797453 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)c1 ZINC000095797454 HE Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2O[C@@H](CNS(=O)(=O)c3ccccc3)CC[C@H]21 ZINC000095797473 HE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1cccnc1 ZINC000095797476 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)c1 ZINC000095797487 HE Annotated Anodyne COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)c1 ZINC000095797488 HE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797489 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797490 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797491 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797492 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095797493 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797527 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095797528 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095797529 HE Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095797541 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797548 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797568 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797569 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797570 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797571 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@H]2C1 ZINC000095797572 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000095797573 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 ZINC000095797574 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)C3CCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095797582 HE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797602 HE Annotated Anodyne O=C(NC[C@H]1CC[C@H]2[C@H](CN2C(=O)NC2CCCC2)O1)c1ccc2c(c1)OCO2 ZINC000095797611 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095797625 HE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095797679 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797680 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797681 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797682 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCc3ccccc3)cc1)[C@@H]2CO ZINC000095797683 HE Annotated Mild O=C(C1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1 ZINC000095797684 HE Annotated Mild O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095797699 HE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797700 HE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095797701 HE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095797702 HE Annotated Anodyne O=C(Cc1cccnc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095797703 HE Annotated Anodyne O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2F)O1)C1CCCCC1 ZINC000095797719 HE Annotated Anodyne O=C(C1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCc4ccccc4)cc3)[C@@H]2C1 ZINC000095797773 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095797812 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095797819 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095797820 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@H]23)cc1 ZINC000095797821 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095797822 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797823 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccncc4)C[C@@H]23)cc1 ZINC000095797824 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095797852 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095797853 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095797862 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095797863 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@@H]23)cc1 ZINC000095797864 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797865 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccn4)C[C@H]23)cc1 ZINC000095797866 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)c4ccccn4)CC(=O)N3[C@H]2CO)cc1 ZINC000095797867 HE Annotated Mild COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095798087 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095798088 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095798089 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@@H]34)cc2)cc1 ZINC000095798090 HE Annotated Anodyne COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)NC(C)C)C[C@H]34)cc2)cc1 ZINC000095798091 HE Annotated Anodyne COc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)NC(C)C)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095798092 HE Annotated Anodyne O=C(NCCn1cc(CN2C(=O)COC[C@H]2c2ccccc2)nn1)Nc1ccccc1 ZINC000095798293 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095798381 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095798414 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095798442 HE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095798463 HE Annotated Anodyne CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C2CCCCC2)/C1=N\C(C)=O ZINC000095798546 HE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C2CCCCC2)/C1=N\C(C)=O ZINC000095798547 HE Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C2CCCCC2)/C1=N\C(C)=O ZINC000095798548 HE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C2CCCCC2)/C1=N\C(C)=O ZINC000095798549 HE Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C)/C1=N\C(=O)c1cccc(C)c1 ZINC000095798550 HE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C)/C1=N\C(=O)c1cccc(C)c1 ZINC000095798551 HE Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C)/C1=N\C(=O)c1cccc(C)c1 ZINC000095798552 HE Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C)/C1=N\C(=O)c1cccc(C)c1 ZINC000095798553 HE Annotated Mild Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o2)n1C ZINC000095808239 HE Annotated Reactive Cc1ncc(CO)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O ZINC000095808348 HE Annotated Reactive O=C(c1ccccc1F)N1C[C@@H]2O[C@@H](CNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000095864439 HE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095864459 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095864486 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C ZINC000095864489 HE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095864494 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095864552 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095864554 HE Annotated Anodyne CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865486 HE Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO ZINC000095866103 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866104 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866106 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(OC)c3)cc1)[C@@H]2CO ZINC000095866107 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866133 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095866135 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@H]2C1 ZINC000095866137 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(OC)c4)cc3)[C@@H]2C1 ZINC000095866138 HE Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095866266 HE Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CC5)CC(=O)N4[C@H]3CO)cc2)cc1 ZINC000095866267 HE Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@H]34)cc2)cc1 ZINC000095866268 HE Annotated Mild N#Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095866269 HE Annotated Mild N#Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CC5)C[C@@H]34)cc2)cc1 ZINC000095866379 HE Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095866446 HE Annotated Mild O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866516 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866517 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866518 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866520 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866566 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866568 HE Annotated Anodyne O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866570 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095866645 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccccc1 ZINC000095866708 HE Annotated Anodyne O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866771 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866772 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866773 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866774 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095866775 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866787 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095866799 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866800 HE Annotated Mild O=C(CC1CC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095866801 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095866840 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095866841 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866842 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@H]2C1 ZINC000095866843 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866844 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccc(F)c3)cc1)[C@@H]2CO ZINC000095866845 HE Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccc(F)c4)cc3)[C@@H]2C1 ZINC000095866846 HE Annotated Mild CCCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095866856 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095866866 HE Annotated Anodyne O=C(c1ccccn1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095866908 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO ZINC000095866937 HE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095866969 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C)C1 ZINC000095867533 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C)C1 ZINC000095867534 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095867662 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)c2cccc(F)c2)C1 ZINC000095867663 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CCN(C(=O)Cc2cccnc2)CC1 ZINC000095867673 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C)C1 ZINC000095867813 HE Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C)C1 ZINC000095867814 HE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095867933 HE Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(C)=O ZINC000095867971 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccno3)ccc2OC[C@H](C)NC[C@H]1C ZINC000095867989 HE Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868514 HE Annotated Anodyne CCCC(=O)N1CC2(C1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C ZINC000095868570 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095869163 HE Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095869166 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095869173 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)N2CCc3ccccc3C2)[C@@H]1CO ZINC000095869174 HE Annotated Anodyne O=C(c1ccccc1F)N1C[C@H]2O[C@H](CNS(=O)(=O)c3ccccc3)CC[C@H]21 ZINC000095869207 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)N(C)[C@@H]21 ZINC000095869208 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095869216 HE Annotated Anodyne O=C(c1cccnc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cccnc1 ZINC000095869218 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095869286 HE Annotated Anodyne O=C(c1ccccc1F)N1C[C@@H]2O[C@H](CNS(=O)(=O)c3ccccc3)CC[C@@H]21 ZINC000095869305 HE Annotated Anodyne O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2C(=O)NC2CCCC2)O1)c1ccc2c(c1)OCO2 ZINC000095869309 HE Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CC2)C3)cc1 ZINC000095869353 HE Annotated Anodyne O=C(C1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095869414 HE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095869418 HE Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCC3)C23CN(S(=O)(=O)CC)C3)cc1 ZINC000095869458 HE Annotated Anodyne O=C(NC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095869470 HE Annotated Anodyne O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCC4)cc3)[C@H]2C1 ZINC000095869560 HE Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095871404 HE Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871405 HE Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C3=CCCC3)cc1)[C@@H]2CO ZINC000095871406 HE Annotated Anodyne O=C(Cc1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871407 HE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095871410 HE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095871411 HE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C4=CCCCC4)cc3)[C@H]2C1 ZINC000095871412 HE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C3=CCCCC3)cc1)[C@@H]2CO ZINC000095871413 HE Annotated Anodyne O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCCC4)cc3)[C@@H]2C1 ZINC000095871414 HE Annotated Anodyne CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095871452 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095871525 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871526 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095871527 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095871528 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@H]23)cc1 ZINC000095871529 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 ZINC000095871530 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 ZINC000095871555 HE Annotated Mild O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095871626 HE Annotated Anodyne N#C[C@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871696 HE Annotated Mild N#C[C@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871698 HE Annotated Mild N#C[C@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871700 HE Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871722 HE Annotated Mild N#C[C@@H]1[C@@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871724 HE Annotated Mild N#C[C@@H]1[C@H](c2ccccc2-c2cccc(F)c2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095871726 HE Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCC1)CC31CN(C)C1 ZINC000095871747 HE Annotated Anodyne O=C(C1CCCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095871768 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095871793 HE Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccno3)cc2OC[C@H](C)NC[C@H]1C ZINC000095871873 HE Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)NCC31CN(C(=O)Nc2c(C)noc2C)C1 ZINC000095871910 HE Annotated Anodyne C[C@@H](CO)N1CC[C@H](CNC(=O)OC(C)(C)C)Oc2c(cccc2[N+](=O)[O-])C1=O ZINC000095872387 HE Annotated Bother C[C@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873404 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873405 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873406 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095873407 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873408 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873409 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873410 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095873411 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095873412 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873413 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873414 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@H]3CN(CC4CCOCC4)CCCCN3[C@H]2CO)cc1 ZINC000095873415 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873416 HE Annotated Mild C[C@@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@@H]23)cc1 ZINC000095873417 HE Annotated Mild C[C@H](O)C#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CCOCC4)C[C@H]23)cc1 ZINC000095873418 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@@H]23)cc1 ZINC000095873923 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@H]23)cc1 ZINC000095873924 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@@H]23)cc1 ZINC000095873925 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@@H]23)cc1 ZINC000095873926 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H]3CN(S(=O)(=O)CC)CCCCN3[C@H]2CO)cc1 ZINC000095873927 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@@H]23)cc1 ZINC000095873928 HE Annotated Mild CCCC#Cc1ccc([C@@H]2[C@H]3CN(S(=O)(=O)CC)CCCCN3[C@H]2CO)cc1 ZINC000095873929 HE Annotated Mild CCCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)CC)C[C@H]23)cc1 ZINC000095873930 HE Annotated Mild CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095874068 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095874069 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095874070 HE Annotated Anodyne CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095874071 HE Annotated Anodyne CN(C)CC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874991 HE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095874992 HE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@H]23)cc1 ZINC000095874993 HE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095874994 HE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095874995 HE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@@H]23)cc1 ZINC000095874996 HE Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)C4CCC4)C[C@H]23)cc1 ZINC000095874997 HE Annotated Mild CN(C)CC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)CCCCN3[C@H]2CO)cc1 ZINC000095874998 HE Annotated Mild COCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095876938 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095876939 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095876940 HE Annotated Mild COCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@@H]2C1 ZINC000095876941 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095876942 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#Cc3ccccc3)cc1)[C@@H]2CO ZINC000095876943 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095876944 HE Annotated Mild COCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#Cc4ccccc4)cc3)[C@H]2C1 ZINC000095876945 HE Annotated Mild O=C(c1cnccn1)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccnc3)ccc1N[C@H]2CO ZINC000095877665 HE Annotated Mild O=C(c1cnccn1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095877666 HE Annotated Mild O=C(c1cnccn1)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@H]21 ZINC000095877667 HE Annotated Mild O=C(c1cnccn1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4cccnc4)cc3[C@@H]21 ZINC000095877668 HE Annotated Mild COCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@@H]21 ZINC000095877754 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C(=O)N(C)C)cc3)ccc1N[C@H]2CO ZINC000095877755 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccc(C(=O)N(C)C)cc4)cc3[C@@H]21 ZINC000095877756 HE Annotated Anodyne COCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(C#Cc4ccc(OC)cc4)cc3[C@H]21 ZINC000095877814 HE Annotated Mild COCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(C#Cc4ccc(OC)cc4)cc3[C@@H]21 ZINC000095877815 HE Annotated Mild O=C(CN1CCOCC1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO ZINC000095877822 HE Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 ZINC000095877823 HE Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877824 HE Annotated Anodyne O=C(CN1CCOCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 ZINC000095877825 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21 ZINC000095878809 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(C(=O)N(C)C)c3)ccc1N[C@H]2CO ZINC000095878810 HE Annotated Anodyne COCC(=O)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@@H]21 ZINC000095878811 HE Annotated Anodyne COCC(=O)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(C(=O)N(C)C)c4)cc3[C@H]21 ZINC000095878812 HE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095878939 HE Annotated Anodyne CN1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095878944 HE Annotated Anodyne CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 ZINC000095878945 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2 ZINC000095878946 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCC2)c3=O)[C@@H]1CO ZINC000095878947 HE Annotated Anodyne CN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO ZINC000095878976 HE Annotated Anodyne CN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 ZINC000095878977 HE Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879104 HE Annotated Anodyne O=C(NC1CCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879105 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095879347 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095879348 HE Annotated Anodyne CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1CC ZINC000095879443 HE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1CC ZINC000095879444 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095879455 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095879456 HE Annotated Anodyne O=C(NCc1ccccc1)[C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095879524 HE Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095879525 HE Annotated Anodyne CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2CC ZINC000095879573 HE Annotated Anodyne CCNC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095879574 HE Annotated Anodyne CCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095879626 HE Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095879627 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2CO ZINC000095879648 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)OC ZINC000095879649 HE Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 ZINC000095879654 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095879655 HE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CC1CC1 ZINC000095879968 HE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095879969 HE Annotated Anodyne CCC(=O)N1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095880328 HE Annotated Anodyne CCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880329 HE Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]21 ZINC000095880362 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4OC)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880363 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880463 HE Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]21 ZINC000095880464 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 ZINC000095880547 HE Annotated Anodyne O=C(NCC1CCCCC1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO ZINC000095880548 HE Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1Cc1ccccn1 ZINC000095880553 HE Annotated Anodyne CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCC1 ZINC000095880583 HE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCC1)[C@@H]2CO ZINC000095880584 HE Annotated Anodyne CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1CC1CC1 ZINC000095880609 HE Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1CC1CC1 ZINC000095880610 HE Annotated Anodyne CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC ZINC000095880687 HE Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2CC ZINC000095880688 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC ZINC000095880706 HE Annotated Anodyne CCCN1[C@H](C(=O)NCC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 ZINC000095880707 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095880956 HE Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 ZINC000095880957 HE Annotated Anodyne O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2)N1CCCCC1 ZINC000095880972 HE Annotated Anodyne O=C([C@H]1[C@@H]2N[C@@H](Cn3c2ccc(/C=C/c2ccccc2)c3=O)[C@@H]1CO)N1CCCCC1 ZINC000095880973 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)N[C@H](C)c2ccccc2)[C@@H]1CO ZINC000095880997 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H]1CO ZINC000095880998 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)N(C)[C@@H]21 ZINC000095880999 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)N(C)[C@@H]21 ZINC000095881000 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095881003 HE Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]21 ZINC000095881004 HE Annotated Anodyne CCCN1[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO ZINC000095881011 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC ZINC000095881012 HE Annotated Anodyne CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO ZINC000095881069 HE Annotated Anodyne CCCN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095881340 HE Annotated Anodyne CCCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 ZINC000095881341 HE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccccn1 ZINC000095881355 HE Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]1N2CC1CC1 ZINC000095881397 HE Annotated Anodyne COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 ZINC000095881398 HE Annotated Anodyne O=C([C@H]1N[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO)N1CCCCC1 ZINC000095881482 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CCc1ccccc1 ZINC000095881499 HE Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CCc1ccccc1 ZINC000095881500 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884727 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884728 HE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884729 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884730 HE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884731 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884732 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884733 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cc(F)cc(F)c2)O1)NC1CCC1 ZINC000095884734 HE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884830 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884831 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884832 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884833 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884834 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884835 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884836 HE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CC2)O1)NCc1ccc(Cl)cc1 ZINC000095884837 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886423 HE Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886424 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886425 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886426 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886427 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886428 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2ccccc2)O1)Nc1ccccc1 ZINC000095886429 HE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887665 HE Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887666 HE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887667 HE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887668 HE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887669 HE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887670 HE Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887671 HE Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 ZINC000095887672 HE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888528 HE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888529 HE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888530 HE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888531 HE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888532 HE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888533 HE Annotated Anodyne CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888534 HE Annotated Anodyne CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)CC)cc3C(=O)N2C)O1 ZINC000095888535 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889525 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889526 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889527 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889528 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@H]1CO2 ZINC000095889529 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)O)O[C@H]1CO2 ZINC000095889530 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889531 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)O)O[C@@H]1CO2 ZINC000095889532 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095891523 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095891524 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095891525 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095891526 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095891527 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095891528 HE Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095891529 HE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891931 HE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891932 HE Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891933 HE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891934 HE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891935 HE Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891936 HE Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891937 HE Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 ZINC000095891938 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095892280 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095892281 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095892282 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095892283 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)OC)O[C@H]1CO2 ZINC000095892284 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)OC)O[C@H]1CO2 ZINC000095892285 HE Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)OC)O[C@@H]1CO2 ZINC000095892286 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893396 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893397 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893398 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893399 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893600 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccc1 ZINC000095893601 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccc1 ZINC000095893602 HE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893668 HE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893669 HE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 ZINC000095893670 HE Annotated Anodyne O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 ZINC000095893671 HE Annotated Anodyne CCC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893705 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095893706 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893707 HE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095893708 HE Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095893730 HE Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893731 HE Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095893732 HE Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095893733 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893828 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893829 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893830 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893831 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893879 HE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 ZINC000095893900 HE Annotated Anodyne CCC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893901 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 ZINC000095893902 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@H]21 ZINC000095893903 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893923 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893925 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893975 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 ZINC000095893976 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 ZINC000095893977 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 ZINC000095893978 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 ZINC000095893979 HE Annotated Anodyne O=C(C1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095894072 HE Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 ZINC000095894073 HE Annotated Anodyne O=C(C1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 ZINC000095894074 HE Annotated Anodyne O=C(C1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894119 HE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095894169 HE Annotated Anodyne O=C(CC1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000095894170 HE Annotated Anodyne O=C(CC1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095894171 HE Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894189 HE Annotated Anodyne O=C(C1CCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894190 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095894227 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894228 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095894229 HE Annotated Anodyne O=C(CC(F)(F)F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095894230 HE Annotated Anodyne O=C(C1CCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894500 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894536 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894537 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894538 HE Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095894539 HE Annotated Anodyne CCC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3C)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894568 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@H]21 ZINC000095894569 HE Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000095894570 HE Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3C)C[C@@H]21 ZINC000095894571 HE Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)Nc3cc(F)ccc3F)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894725 HE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 ZINC000095894726 HE Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@H]21 ZINC000095894727 HE Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)Nc3cc(F)ccc3F)C[C@@H]21 ZINC000095894728 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894733 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894734 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894735 HE Annotated Anodyne O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894736 HE Annotated Anodyne CN(C)CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1cc(F)ccc1F ZINC000095894756 HE Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)C2CC2)c1 ZINC000095894777 HE Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)C2CC2)c1 ZINC000095894778 HE Annotated Anodyne Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)C2CC2)c1 ZINC000095894779 HE Annotated Anodyne N#C[C@@H]1[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897665 HE Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CCC3CCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897666 HE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897667 HE Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897668 HE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897669 HE Annotated Mild N#C[C@H]1[C@H](c2ccc(C#CCC3CCCC3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897670 HE Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897939 HE Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897940 HE Annotated Mild N#C[C@@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897941 HE Annotated Mild N#C[C@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897942 HE Annotated Mild N#C[C@@H]1[C@H](c2ccc(-c3cccc(F)c3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1 ZINC000095897943 HE Annotated Mild N#C[C@H]1[C@@H](c2ccc(-c3cccc(F)c3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1 ZINC000095898032 HE Annotated Mild CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899679 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899680 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095899681 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095899682 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899683 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899684 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095899685 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095899686 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900248 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900249 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900250 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900251 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900252 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900253 HE Annotated Anodyne CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900254 HE Annotated Anodyne CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900255 HE Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900722 HE Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900723 HE Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900724 HE Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900725 HE Annotated Anodyne CN(C)C(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900726 HE Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900727 HE Annotated Anodyne CN(C)C(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900728 HE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900932 HE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900933 HE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900934 HE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900935 HE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900936 HE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900937 HE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095900938 HE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095900939 HE Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCc3ccccc3)O[C@@H](CO)[C@H]1O2 ZINC000095901987 HE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCc3ccccc3)O[C@H](CO)[C@@H]1O2 ZINC000095901988 HE Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCc3ccccc3)O[C@@H](CO)[C@@H]1O2 ZINC000095901989 HE Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCc3ccccc3)O[C@H](CO)[C@H]1O2 ZINC000095901990 HE Annotated Clean O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095903068 HE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095903069 HE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC1CC1 ZINC000095903071 HE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095903073 HE Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095903075 HE Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095903076 HE Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 ZINC000095903079 HE Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 ZINC000095903081 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903281 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903282 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903283 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903284 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903285 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903286 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095903287 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095903288 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903384 HE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903386 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903387 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903388 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903389 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903390 HE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903391 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903392 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903399 HE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903400 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903402 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903403 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903404 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903405 HE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)NC2CCCCC2)[C@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903406 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)NC2CCCCC2)[C@@H](CO)O1)NCc1ccc(F)cc1 ZINC000095903407 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903565 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903566 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903567 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903568 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903570 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903571 HE Annotated Anodyne COc1ccccc1-c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903572 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095904132 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095904133 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095904134 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095904135 HE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095904136 HE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095904137 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095904138 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CCCCC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095904139 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccccc1 ZINC000095904589 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904611 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904612 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904613 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904614 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904615 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904616 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904617 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904618 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904649 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904650 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904651 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904652 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904653 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904654 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1C=C[C@H](CC(=O)Nc2ccccc2)O[C@H]1CO ZINC000095904655 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1C=C[C@@H](CC(=O)Nc2ccccc2)O[C@@H]1CO ZINC000095904656 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCCC1 ZINC000095905011 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCCC1 ZINC000095905012 HE Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCCC1 ZINC000095905013 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCCC1 ZINC000095905014 HE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCCC1 ZINC000095905015 HE Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCCC1 ZINC000095905016 HE Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO)C1CCCCC1 ZINC000095905017 HE Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO)C1CCCCC1 ZINC000095905018 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905204 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905205 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905206 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905207 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905208 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905209 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@H](NC(=O)c2ccccc2)[C@H](CO)O1 ZINC000095905210 HE Annotated Anodyne Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](CO)O1 ZINC000095905211 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905399 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905400 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905401 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905402 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905403 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905404 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO ZINC000095905405 HE Annotated Anodyne Cc1noc(C)c1NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO ZINC000095905406 HE Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095905447 HE Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095905448 HE Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095905449 HE Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095905450 HE Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095905451 HE Annotated Anodyne COCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095905452 HE Annotated Anodyne COCc1cn(CC[C@H]2CC[C@H](NC(=O)Nc3ccc(Cl)cc3)[C@H](CO)O2)nn1 ZINC000095905453 HE Annotated Anodyne COCc1cn(CC[C@@H]2CC[C@@H](NC(=O)Nc3ccc(Cl)cc3)[C@@H](CO)O2)nn1 ZINC000095905454 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095906627 HE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095906628 HE Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095906629 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095906630 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095906631 HE Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2)[C@H](CO)O1)NCc1cccc(F)c1 ZINC000095906632 HE Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)[C@@H](CO)O1)NCc1cccc(F)c1 ZINC000095906633 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095907236 HE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095907237 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095907238 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095907239 HE Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095907240 HE Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095907241 HE Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095907242 HE Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)[C@H](CO)O1)NCc1ccccc1 ZINC000095907243 HE Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@H](C(C)=O)[C@@]12C ZINC000095909284 HE Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@H]32)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000095909949 HE Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1[C@@H]2OC(=O)[C@@H]3c4ccoc4C[C@H]([C@@H]32)[C@@]2(C)C(=O)CCC(C)(C)[C@]12O ZINC000095909950 HE Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@H](O)[C@]2(CO2)[C@]2(C)[C@@H](O)C[C@H](C)[C@@](C)(C[C@H](O)c3ccoc3)[C@@H]12 ZINC000095910183 HE Annotated Anodyne in-vitro biogenic CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34C2=C[C@@H](O[C@@H]13)[C@H]1C[C@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2O ZINC000095910353 HE Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)Cc4ccc(O)cc4)[C@H]12)C(=O)C[C@@H]3C=O ZINC000095910552 HE Annotated Mild in-vitro biogenic CC(=O)OC[C@]1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]23CO[C@@H](O)[C@@]31C)[C@@H](C)C4=O ZINC000095910581 HE Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23C[C@H]1C[C@H]1C[C@@H]4OC[C@]5([C@H](CC[C@@](C)(COC(C)=O)[C@@H]45)OC2=O)[C@H]13 ZINC000095911186 HE Annotated Mild in-vitro biogenic CC[C@@H](O)C[C@@]12[C@@H]3C[C@H]4[C@H]5[C@H](C)/C(=C6\OC(=O)C(C)=C6OC)O[C@]5(O3)[C@@H]1CCN42 ZINC000095912244 HE Annotated Anodyne in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](OC(C)=O)[C@@H](COC(=O)CC(C)C)[C@@H]12 ZINC000095912501 HE Annotated Mild in-vitro biogenic CC(=O)O[C@]1(C)C(=O)[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@H]23)[C@]12CC[C@@]1(C=COC1)O2 ZINC000095912789 HE Annotated Anodyne in-vitro biogenic CC(=O)O[C@@]1(C)C(=O)[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@H]23)[C@@]12CC[C@@]1(C=COC1)O2 ZINC000095912790 HE Annotated Anodyne in-vitro biogenic C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3[C@H]2OC(C)=O ZINC000095912794 HE Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C2=C(C(=O)C(O)=C([C@@H](C)CO)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000095913325 HE Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](OC)OC[C@]234)[C@@H]1OC(C)=O ZINC000095913909 HE Annotated Mild in-vitro biogenic CC[C@@H](O)[C@@H]1CC[C@H]2O[C@@]34CCC[N+]1([O-])[C@@H]2[C@H]3[C@H](C)/C(=C1\OC(=O)C(C)=C1OC)O4 ZINC000095914160 HE Annotated Bother in-vitro biogenic CC(=O)O[C@H]1C[C@@]2(C)O[C@H]2C[C@H](OC(C)=O)[C@]2(C)O[C@@H]2[C@H](OC(C)=O)[C@@H]1C(C)C ZINC000095919082 HE Annotated Anodyne in-vitro biogenic C=C1C[C@H](OC(C)=O)[C@@H](C(C)C)[C@@H](OC(C)=O)[C@H]2O[C@@]2(C)[C@@H](OC(C)=O)CC1=O ZINC000095919087 HE Annotated Mild in-vitro biogenic Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1ccccc1[N+](=O)[O-] ZINC000095920805 HE Annotated Bother CCOc1ccc2ccccc2c1C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1 ZINC000095921260 HE Annotated Mild CN(C)S(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O ZINC000095921389 HE Annotated Clean COC(=O)[C@@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000096020345 HE Annotated Anodyne CCCCCCN1CCS(=O)(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)OC)C1 ZINC000096020377 HE Annotated Anodyne C[C@@H]1COc2cccc(N3CCN(Cc4ccccc4F)CC3)c2S(=O)(=O)N1 ZINC000096020872 HE Annotated Anodyne CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(Br)cc1 ZINC000096021239 HE Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(Br)cc1 ZINC000096021240 HE Annotated Anodyne COC(=O)CC[C@@H](C(=O)O)N(C)C(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 ZINC000096086348 HE Annotated Anodyne Cc1ccccc1OCC(=O)N1C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)[C@H]1C2 ZINC000096095711 HE Annotated Anodyne C/C(=N\N1CC(=O)NC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169119 HE Annotated Mild C/C(=N\NS(C)(=O)=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1 ZINC000096169121 HE Annotated Mild C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@H](O)c3cc4cccnc4cc3F)n2n1 ZINC000096169131 HE Annotated Reactive C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@@H](O)c3cc4cccnc4cc3F)n2n1 ZINC000096169132 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096169133 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096169134 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@](C)(O)c3cc4cccnc4cc3F)n2n1 ZINC000096169137 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@](C)(O)c3cc4cccnc4cc3F)n2n1 ZINC000096169138 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000096169143 HE Annotated Reactive C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000096169144 HE Annotated Reactive C/C(=N\N(C)C(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096169154 HE Annotated Reactive C/C(=N\N(C)C(N)=O)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1 ZINC000096169161 HE Annotated Reactive COc1ccc(Cc2nc3c(NC4CCN(S(C)(=O)=O)CC4)cccn3n2)cc1 ZINC000096169567 HE Annotated Anodyne C/C(=N\O[C@H]1CCNC1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 ZINC000096170321 HE Annotated Mild C/C(=N\O[C@@H]1CCNC1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1 ZINC000096170322 HE Annotated Mild C/C(=N\OCCO)c1ccc2ncc(Cc3c(F)cc4c(cnn4C)c3F)n2n1 ZINC000096170359 HE Annotated Mild C/C(=N\OCC(=O)O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 ZINC000096170390 HE Annotated Mild C/C(=N\OCCO)c1cnc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170391 HE Annotated Mild C/C(=N\OCCO)c1cnc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1 ZINC000096170392 HE Annotated Mild Cc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3cccc(C#N)c3)C2)nc(C2CC2)c1F ZINC000096173855 HE Annotated Mild O=C(c1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccn1)N1CCOCC1 ZINC000096175984 HE Annotated Anodyne O=C(c1ccc(C2=NCc3ccnc(OC4CCOCC4)c32)cc1)N1CCOCC1 ZINC000096176025 HE Annotated Anodyne CNc1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccoc4)c3=O)cc12 ZINC000096176308 HE Annotated Mild C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(-c3cccnc3)n2)C[C@@H](N)[C@@H]1O ZINC000096177765 HE Annotated Anodyne N#Cc1cnccc1COc1cnc(N2CCN(C(=O)OCC(F)(F)F)CC2)nc1 ZINC000096269998 HE Annotated Mild CCN(CC)c1nccc(-c2sc(NC(=O)N3CCC[C@H]3C(N)=O)nc2C)n1 ZINC000096272372 HE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000096274115 HE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000096274116 HE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@H](C)C(=O)N4)CC2)cc1 ZINC000096274145 HE Annotated Anodyne CNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@@H](C)C(=O)N4)CC2)cc1 ZINC000096274146 HE Annotated Anodyne Nc1ccc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1 ZINC000096283097 HE Annotated Anodyne N[C@H]1C[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CO[C@@H]1c1cc(F)ccc1F ZINC000096284072 HE Annotated Anodyne O=C1OCc2cc(CC(=O)N3CCN(CCc4ccc([N+](=O)[O-])cc4)CC3)ccc21 ZINC000096286280 HE Annotated Bother Cc1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(S(N)(=O)=O)cc1)C2=O ZINC000096336831 HE Annotated Bother Cc1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)N(c1ccc(S(N)(=O)=O)cc1)C2=O ZINC000096336833 HE Annotated Bother CCOC(=O)[C@@H]1/C(=N/O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(N(C)C)cc1 ZINC000096451895 HE Annotated Mild COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23CN(C)CCC3=O)cc1 ZINC000096903036 HE Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]2(Br)CBr)[C@]2(C)C(=O)C=C[C@@]12O ZINC000096903070 HE Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@]2(Br)CBr)[C@]2(C)C(=O)C=C[C@@]12O ZINC000096903071 HE Annotated Reactive C=CCC1=C[C@@]2(OC)[C@H](O)[C@@](OC)(C1=O)[C@H](c1cc(OC)c3c(c1)OCO3)[C@H]2C ZINC000096903653 HE Annotated Mild O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]13C=C(Br)[C@@H](O)C[C@H]1S[C@@H](C3)N2 ZINC000096903667 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@H](O)c3ccc4c(c3)OCO4)C(=O)[C@@]21C ZINC000096903743 HE Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)C=C([C@@H](O)c3ccc4c(c3)OCO4)C(=O)[C@@]21C ZINC000096903744 HE Annotated Mild O=C(O)COCCC1=C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3COc4ccccc4O3)[C@@H]2C1 ZINC000096904260 HE Annotated Anodyne CCN(CCF)CCNC(=O)c1cnc2cc(I)ccc2n1 ZINC000096905509 HE Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2cc(N)c(OC)c(N)c2)c(OC)c1 ZINC000096908610 HE Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2c(Cl)cc(Cl)cc2c1=O ZINC000096908851 HE Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2c(Cl)cc(Cl)cc2c1=O ZINC000096908852 HE Annotated Anodyne C[C@@]1(Cc2ccccc2)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909318 HE Annotated Anodyne C[C@]1(Cc2ccccc2)OC(=O)c2c1ccn(-c1ccc(S(N)(=O)=O)cc1)c2=O ZINC000096909319 HE Annotated Anodyne CC1(C)OC(=O)c2c1ccn(-c1ccc(S(=O)(=O)Nc3ccccn3)cc1)c2=O ZINC000096909499 HE Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3ncccc3=O)c2)CC1 ZINC000096909773 HE Annotated Anodyne CCCCn1c(CN2C[C@@H](C)C[C@@H](C)C2)nc2cc(C(=O)NC[C@H](O)CO)ccc21 ZINC000096913736 HE Annotated Anodyne CCCCn1c(CN2C[C@H](C)C[C@@H](C)C2)nc2cc(C(=O)NC[C@H](O)CO)ccc21 ZINC000096913738 HE Annotated Anodyne Cc1cc(C)cc(Cn2c(=O)cc(N3CCNCC3)n(Cc3ccccc3)c2=O)c1 ZINC000096915006 HE Annotated Anodyne O=C1[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2N1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000096917679 HE Annotated Bother Cc1csc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@@H](C)C2)c1 ZINC000096921530 HE Annotated Anodyne Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)[C@@H](C)C2)s1 ZINC000096921531 HE Annotated Anodyne NC(N)=NS(=O)(=O)c1ccc(/N=C/c2c(Cl)c3ccccc3oc2=O)cc1 ZINC000096921652 HE Annotated Mild Cc1ccc2oc(=O)c(/C=N/c3ccc(S(=O)(=O)N=C(N)N)cc3)c(Cl)c2c1 ZINC000096921664 HE Annotated Mild Cn1cccc1/C=C1\COCc2c1nc1c(c2-c2cccn2C)c(=O)n(C)c(=O)n1C ZINC000096923283 HE Annotated Anodyne C=C1C2=CC(=O)O[C@]2(OC)C[C@H]2[C@H]1[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](OC(C)=O)[C@]21C ZINC000096923934 HE Annotated Mild COC(=O)[C@H](CCSC)NC(=O)CSc1nnc2sc3ccccc3n12 ZINC000096927365 HE Annotated Anodyne O=C1c2cc(OCCn3ccnn3)ccc2-c2ccc(OCCn3ccnn3)cc21 ZINC000096927415 HE Annotated Anodyne O[C@](CN1CCN(Cc2cccs2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927696 HE Annotated Anodyne O[C@@](CN1CCN(Cc2cccs2)CC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927697 HE Annotated Anodyne C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC ZINC000096928467 HE Annotated Mild C[C@]12CC[C@]3(O)[C@]4(C)COC(=O)[C@]4(C)[C@@H](OC(=O)c4ccccc4)[C@]13CC(=O)O2 ZINC000096929970 HE Annotated Anodyne O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1nc(-c2ccccc2)cs1 ZINC000096930073 HE Annotated Reactive COCCOc1cc2c(c(N)n1)NC(=O)CN2Cc1ccc(CN2CCCC2)cc1 ZINC000096932447 HE Annotated Anodyne CCOC(=O)Cn1c(=O)c(N/N=C/c2c(OC)cccc2OC)nc2ccccc21 ZINC000096933307 HE Annotated Mild COC(=O)CCSC1=C(N2CCC3(CC2)OCCO3)C(=O)c2ccccc2C1=O ZINC000096934157 HE Annotated Mild CN1CCN(C(=O)Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)CC1 ZINC000096934519 HE Annotated Anodyne O=C(NCCO)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096939875 HE Annotated Bother N#Cc1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C(=O)CCN23)cc1 ZINC000096940507 HE Annotated Mild N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3[C@H](F)CCN32)cc1 ZINC000096941598 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3[C@@H](F)CCN32)cc1 ZINC000096941601 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3C[C@@H](F)CN23)cc1 ZINC000096941606 HE Annotated Anodyne N=C(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3C[C@H](F)CN23)cc1 ZINC000096941609 HE Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1scc[n+]1CC ZINC000098065454 HE Annotated Anodyne Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2Nc2ccccc2)cc1 ZINC000098082086 HE Annotated Anodyne COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098082744 HE Annotated Bother COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098082745 HE Annotated Bother COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098082746 HE Annotated Bother COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000098082747 HE Annotated Bother Cc1c(C(N)=O)sc2nc(C)n(/N=C3\SCC(=O)N3c3ccccc3)c(=O)c12 ZINC000098084351 HE Annotated Mild O=C(CCc1ccc2c(-c3ccccc3)cc(O)nc2n1)OCCN1CCNCC1 ZINC000098084531 HE Annotated Anodyne CCN(CC)c1nccc(-c2sc(NC(=O)N3CC[C@@H]4C[C@@]43C(N)=O)nc2C)n1 ZINC000098194656 HE Annotated Anodyne N[C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H](SCc2cccnc2)C[C@H]1C(=O)O ZINC000098209282 HE Annotated Anodyne