CCN1C(=O)N[C@H]2[C@@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000001147588 EA Annotated Anodyne O=C1NC(=O)C(C(c2cccnc2)C2C(=O)NC(=O)NC2=O)C(=O)N1 ZINC000100040501 EA Annotated Anodyne CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12 ZINC000100067780 EA Annotated Mild in-man CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000100067782 EA Annotated Mild in-man N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000100078989 EA Annotated Mild in-vitro CO[C@]12[C@H]3N[C@@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000100081091 EA Annotated Mild Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(=O)[C-]3O[P@](=O)(O)OC[C@H]3O[C@H]1N2 ZINC000100083300 EA Annotated Anodyne in-vitro Nc1nc2c(c(=O)[nH]1)N[C@@H]1C(=O)[C-]3O[P@](=O)(O)OC[C@@H]3O[C@H]1N2 ZINC000100083305 EA Annotated Anodyne in-vitro N[C@@H](C[C@@H]1C=CC(=O)C([C@@H](C[C@H](N)C(=O)O)C(=O)O)=C1)C(=O)O ZINC000100192395 EA Annotated Mild in-vitro N[C@@H](C[C@H]1C=CC(=O)C([C@@H](C[C@H](N)C(=O)O)C(=O)O)=C1)C(=O)O ZINC000100192401 EA Annotated Mild in-vitro N[C@@H](C[C@@H](C(=O)O)C1=C[C@H](C[C@@H](N)C(=O)O)C=CC1=O)C(=O)O ZINC000100192405 EA Annotated Mild in-vitro N[C@@H](C[C@@H](C(=O)O)C1=C[C@@H](C[C@@H](N)C(=O)O)C=CC1=O)C(=O)O ZINC000100192408 EA Annotated Mild in-vitro N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)[C@H]1O)C(=O)O ZINC000100192538 EA Annotated Mild in-vitro N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)[C@H]1O)C(=O)O ZINC000100192543 EA Annotated Mild in-vitro CC1(C)O[C@@]2(C)CC[C@@]1(O)C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100256085 EA Annotated Anodyne in-man metabolite CC1(C)O[C@]2(C)CC[C@]1(O)C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100256094 EA Annotated Anodyne in-man metabolite COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@@H](CN21)N3C ZINC000100304011 EA Annotated Mild in-vitro NC1=NC(=O)C2=N[C@@H](C(=O)[C@H]3O[P@@](=O)(O)OC[C@H]3O)CNC2=N1 ZINC000100363885 EA Annotated Anodyne in-man NC1=NC(=O)C2=N[C@@H](C(=O)[C@@H]3O[P@@](=O)(O)OC[C@H]3O)CNC2=N1 ZINC000100363890 EA Annotated Anodyne in-man endogenous NC(N)=NCCCC(NC(=O)[C@H](N)CCCN=C(N)N)=C(O)O ZINC000100385878 EA Annotated Mild in-vitro endogenous NC(N)=NCCCC(NC(=O)[C@@H](N)CCCN=C(N)N)=C(O)O ZINC000100385881 EA Annotated Mild in-vitro endogenous N/C(=N\N/C=c1\cc/c(=C2/C=CC(=O)C(C(=O)O)=C2)o1)N[N+](=O)[O-] ZINC000100588406 EA Annotated Mild C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)OC)NC2=O ZINC000100766506 EA Annotated Mild C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)O)NC2=O ZINC000100766987 EA Annotated Mild O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O ZINC000100768252 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100769821 EA Annotated Mild in-man endogenous C[C@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100769822 EA Annotated Mild in-man endogenous NC1=NC(=O)C2=N[C@@H](C(=O)[C@@H]3O[P@](=O)(O)OC[C@@H]3O)CNC2=N1 ZINC000100770342 EA Annotated Anodyne in-man endogenous NC1=NC(=O)C2=N[C@@H](C(=O)[C@H]3O[P@](=O)(O)OC[C@@H]3O)CNC2=N1 ZINC000100770345 EA Annotated Anodyne in-man endogenous CC(C)[C@@]12C[C@@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777225 EA Annotated Anodyne in-man endogenous CC(C)[C@]12C[C@@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777227 EA Annotated Anodyne in-man endogenous CC(C)[C@@]12C[C@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777230 EA Annotated Anodyne in-man endogenous CC(C)[C@]12C[C@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777231 EA Annotated Anodyne in-man endogenous CC(C)(O)[C@@]12C[C@@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777232 EA Annotated Anodyne in-man endogenous CC(C)(O)[C@]12C[C@@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777235 EA Annotated Anodyne in-man endogenous CC(C)(O)[C@@]12C[C@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777237 EA Annotated Anodyne in-man endogenous CC(C)(O)[C@]12C[C@H]1[C@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100777238 EA Annotated Anodyne in-man endogenous CC1(C)O[C@]2(CO)CC[C@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778104 EA Annotated Anodyne in-man endogenous CC1(C)O[C@]2(CO)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778106 EA Annotated Anodyne in-man endogenous CC1(C)O[C@@]2(CO)CC[C@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778107 EA Annotated Anodyne in-man endogenous CC1(C)O[C@@]2(CO)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000100778109 EA Annotated Anodyne in-man endogenous COC[C@@]1(O)[C@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100783839 EA Annotated Anodyne in-man endogenous COC[C@]1(O)[C@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000100783840 EA Annotated Anodyne in-man endogenous CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2CC(=O)ON ZINC000100784840 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@H]3N[C@H]3CN21 ZINC000100786988 EA Annotated Mild CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000100788291 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000100789469 EA Annotated Mild CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@@H]2CC(=O)ON ZINC000100789522 EA Annotated Mild CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100804608 EA Annotated Mild CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000100805836 EA Annotated Mild COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@@H](C)O ZINC000100822343 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@@H](C)O ZINC000100822345 EA Annotated Mild in-man O=C(O[C@@H]1C(=O)O[C@@H]([C@@H](O)C(=O)O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000100825070 EA Annotated Clean in-man O=C(O[C@@H]1C(=O)O[C@H]([C@H](O)C(=O)O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000100825072 EA Annotated Clean in-man O=C(O[C@@H]1C(=O)O[C@H]([C@@H](O)C(=O)O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000100825074 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H]1OC(=O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000100825083 EA Annotated Clean in-man OC[C@@H]1O[C@@](CO)(OC[C@@H]2O[C@@H](O)C[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000100828912 EA Annotated Anodyne in-man OC[C@H]1O[C@@](CO)(OC[C@@H]2O[C@@H](O)C[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000100828913 EA Annotated Anodyne in-man OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@@H](O)C[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000100828914 EA Annotated Anodyne in-man OC[C@H]1O[C@](CO)(OC[C@@H]2O[C@@H](O)C[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000100828915 EA Annotated Anodyne in-man CC1(C)O[C@]2(C)CC[C@]1(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100830158 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@@]1(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000100830160 EA Annotated Anodyne in-man C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000100891681 EA Annotated Mild in-vitro endogenous CO[C@@H]1C[C@H]2CO[C@@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000101019428 EA Annotated Anodyne CO[C@@H]1C[C@@H]2CO[C@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000101019431 EA Annotated Anodyne COC[C@@]1(O)[C@@H]2C[C@]3([C@H](C)CC[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112369 EA Annotated Anodyne in-man COC[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)CC[C@@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112372 EA Annotated Anodyne in-man COC[C@@]1(O)[C@@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112374 EA Annotated Anodyne in-man COC[C@@]1(O)[C@@H]2C[C@]3([C@@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000101112375 EA Annotated Anodyne in-man C[C@@H](Cn1c(N=C(N)N)nc(N)c2ncnc1-2)OCP(=O)(O)O ZINC000101147289 EA Annotated Mild C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NC(C)=O)NC2=O ZINC000101174391 EA Annotated Mild C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)C)NC2=O ZINC000101174710 EA Annotated Mild C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NOC)NC2=O ZINC000101177900 EA Annotated Mild C[C@H](Cn1c(N=C(N)N)nc(N)c2ncnc1-2)OCP(=O)(O)O ZINC000101458930 EA Annotated Mild O=C(O)/C(=C/c1ccc(O)cc1)N[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000101463289 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@@H](C(=O)O)[C@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000101491707 EA Annotated Anodyne O=C(O)/C(=C\c1ccc(O)cc1)N[C@@H]1N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000101502260 EA Annotated Anodyne O=[S@@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000101555460 EA Annotated Anodyne CC(C)(C)OC(=O)NCCNC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1 ZINC000101862785 EA Annotated Anodyne C#CCCCO/N=C1\[C@@H]2CCn3c(=O)n(C)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12 ZINC000102694186 EA Annotated Mild CC(=O)[C@@H]1C(=O)C(=O)N(CCN2C(=O)C(=O)[C@@H](C(C)=O)C2=O)C1=O ZINC000102939420 EA Annotated Anodyne CC(=O)[C@H]1C(=O)C(=O)N(CCN2C(=O)C(=O)[C@@H](C(C)=O)C2=O)C1=O ZINC000102939422 EA Annotated Anodyne CC(=O)[C@H]1C(=O)C(=O)N(CCN2C(=O)C(=O)[C@H](C(C)=O)C2=O)C1=O ZINC000102939423 EA Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@H]2C2=CCn3c(=O)n(C)c(=O)n3[C@H]21 ZINC000102977829 EA Annotated Anodyne COC(=O)C(=O)[C@@H]1CCCC[C@@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O ZINC000102987080 EA Annotated Anodyne COC(=O)C(=O)[C@H]1CCCC[C@@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O ZINC000102987081 EA Annotated Anodyne CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC1=O ZINC000103167536 EA Annotated Mild CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2NC1=O ZINC000103167539 EA Annotated Mild COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@H](O)[C@](C)(O)[C@H](O)[C@H]1O ZINC000103241680 EA Annotated Mild COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O ZINC000103241682 EA Annotated Mild N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@]12CC[C@@H](CNC(=O)[C@@H]1CCCN1)O2 ZINC000103265909 EA Annotated Anodyne NCC[C@H](O)C(=O)N[C@H]1C[C@@H](n2cc(CO)nn2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000103266616 EA Annotated Anodyne NCC[C@H](O)C(=O)N[C@H]1C[C@@H]2[C@H](OCc3cnnn32)[C@@H](O)[C@@H]1O ZINC000103266622 EA Annotated Anodyne NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266667 EA Annotated Anodyne NCC[C@H](O)CN[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O ZINC000103266681 EA Annotated Anodyne C[n+]1cn(CC(=O)N[C@H](CC(=O)O)C(=O)O)c2nc(N)nc(O)c21 ZINC000103292826 EA Annotated Anodyne C[n+]1cn(CC(=O)N[C@@H](CC(=O)O)C(=O)O)c2nc(N)nc(O)c21 ZINC000103292839 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000103582668 EA Annotated Anodyne in-vitro biogenic COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@H](C)O ZINC000104361181 EA Annotated Mild in-man CC(C)[C@]12C[C@@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000104361719 EA Annotated Anodyne in-man CC(C)[C@@]12C[C@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000104361722 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000104361729 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000104361733 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000104361740 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000104361744 EA Annotated Anodyne in-man CC1(C)O[C@]2(CO)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104364922 EA Annotated Anodyne in-man CC1(C)O[C@@]2(CO)CC[C@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104364930 EA Annotated Anodyne in-man CC1(C)O[C@]2(C)CC[C@]1(O)C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104365053 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@@]1(O)C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000104365060 EA Annotated Anodyne in-man CC1(C)O[C@]2(C)CC[C@]1(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000104383716 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@@]1(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000104383722 EA Annotated Anodyne in-man O=C1N[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000105408021 EA Annotated Anodyne O=C(O)[C@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000105419812 EA Annotated Anodyne O=C(O)[C@H]1O[C@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000105419814 EA Annotated Anodyne COC(=O)C(=O)[C@@H]1CCCC[C@H](C2=N[C@H]3NNC(=N)N3C2=O)C1=O ZINC000105491633 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)N=O ZINC000105501623 EA Annotated Anodyne Cn1c(=O)c2c(nc(N)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)n(C)c1=O ZINC000105526087 EA Annotated Anodyne CN[C@H]1[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@H]3O[C@@H]2[C@H](O)[C@H](NC)[C@H]1O ZINC000011592792 EA Annotated Anodyne CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@H]3O[C@@H]2[C@@H]1O ZINC000011592793 EA Annotated Anodyne CN[C@@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12 ZINC000011592794 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](NC)[C@@H]2O[C@]3(O)C(=O)C[C@H](C)O[C@H]3O[C@@H]2[C@@H]1O ZINC000011592795 EA Annotated Anodyne O=C(O[C@H](C(=O)O)[C@@H]1OC(=O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000115696265 EA Annotated Clean CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12 ZINC000118173281 EA Annotated Mild CN1CCC[C@H]1c1ccc[n+]([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000012495031 EA Annotated Anodyne in-man endogenous C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012496947 EA Annotated Mild in-man endogenous C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000012496951 EA Annotated Mild in-man endogenous O=c1[nH]cnc2c1=NCC=2[C@@H]1N[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O ZINC000012501556 EA Annotated Anodyne in-vitro NC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1 ZINC000012501566 EA Annotated Mild O=c1[nH]c(=O)c2[nH]c(=O)c(=O)n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2[nH]1 ZINC000012501729 EA Annotated Anodyne in-vivo C[C@H](O)[C@@H](N)C1=N/C(=C\C2=c3ccccc3=NC2)C(=O)N1CC=O ZINC000012504024 EA Annotated Mild in-vitro COC1=C/C(=C/NNC(=O)CNc2n[nH]c(=O)[nH]c2=O)C=CC1=O ZINC000013119327 EA Annotated Reactive COc1ccc(NN/N=C2/N=c3c(=O)n(C)c(=O)n(C)c3=N2)cc1 ZINC000013122642 EA Annotated Mild COC1=C/C(=C/NNC(=O)[C@@H](C)Nc2n[nH]c(=O)[nH]c2=O)C=CC1=O ZINC000013125325 EA Annotated Reactive COC1=C/C(=C/NNC(=O)[C@H](C)Nc2n[nH]c(=O)[nH]c2=O)C=CC1=O ZINC000013125326 EA Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CCc2n[nH]c(=O)[nH]c2=O)C1=O ZINC000013125328 EA Annotated Reactive CCOC1=C/C(=C/NNC(=O)CCc2n[nH]c(=O)[nH]c2=O)C=CC1=O ZINC000013126841 EA Annotated Reactive COC1=C/C(=C/NNC(=O)CCc2n[nH]c(=O)[nH]c2=O)C=CC1=O ZINC000013126913 EA Annotated Reactive C[C@@H]1O[C@H]2[C@@H](O[C@@H]1C)N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000013142954 EA Annotated Anodyne C[C@H]1O[C@H]2[C@@H](O[C@@H]1C)N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000013142955 EA Annotated Anodyne Cc1ccc(C2=NN[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151365 EA Annotated Anodyne Cc1ccc(C2=NN[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151366 EA Annotated Anodyne Cc1ccc(C2=NN[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151367 EA Annotated Anodyne Cc1ccc(C2=NN[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)S2)cc1 ZINC000013151368 EA Annotated Anodyne Cn1c(=O)c2c(nc3n(C[C@H](O)CCl)c(=O)ccn23)n(C)c1=O ZINC000013219011 EA Annotated Reactive C=CC[S@@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O ZINC000013311055 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O ZINC000013311057 EA Annotated Mild in-man C=CC[S@@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O ZINC000013311059 EA Annotated Mild in-man C=CC[S@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O ZINC000013311061 EA Annotated Mild in-man COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@@H](O)[C@](C)(O)[C@H]1O ZINC000013312272 EA Annotated Mild C[N+](C)(C)[C@H](Cc1cnc(SC[C@@H](O)[C@H](N)C(=O)O)[nH]1)C(=O)O ZINC000013403330 EA Annotated Mild O=C(O)CN/N=c1\n(CC(=O)O)c2ccccc2n1C(=O)C(=O)O ZINC000013470528 EA Annotated Anodyne N[C@@H](CO)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478105 EA Annotated Anodyne N[C@H](CO)c1cn([C@@H](CCC(=O)O)C(=O)N2CCNCC2)nn1 ZINC000013478107 EA Annotated Anodyne N[C@@H](CO)c1nnc([C@H](CC(=O)O)NC(=O)C2CCNCC2)o1 ZINC000013478152 EA Annotated Anodyne NCCCC[C@@H](C(=O)N1CCNCC1)n1cc([C@@H](N)CO)nn1 ZINC000013478156 EA Annotated Anodyne NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-])CN1 ZINC000013531446 EA Annotated Mild in-vivo O=c1[nH]c(=O)c2[nH]c(=O)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2[nH]1 ZINC000013543028 EA Annotated Anodyne in-vitro C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)C)N=C2O ZINC000013555309 EA Annotated Mild C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NC(C)=O)NC2=O ZINC000013555311 EA Annotated Mild C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)O)NC2=O ZINC000013555314 EA Annotated Mild C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NOC)NC2=O ZINC000013555315 EA Annotated Mild C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)OC)NC2=O ZINC000013555318 EA Annotated Mild NC(=O)[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1 ZINC000013559330 EA Annotated Mild NC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1 ZINC000013559331 EA Annotated Mild NC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1 ZINC000013559332 EA Annotated Mild NC(=O)[C@@H]1C[C@H](NC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1 ZINC000013559333 EA Annotated Mild CC(=O)N[C@@H]1[C@@H](O)C=C(P(=O)(O)O)C[C@H]1OC[C@@H](O)CO ZINC000013588796 EA Annotated Anodyne CC(=O)N[C@@H]1[C@@H](O)C=C(P(=O)(O)O)C[C@H]1OC[C@H](O)CO ZINC000013588797 EA Annotated Anodyne NC(=O)[C@H]1CS[C@@H]2C[C@@H](N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12 ZINC000013606452 EA Annotated Anodyne NC(N)=NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21 ZINC000013781158 EA Annotated Mild NC(N)=NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21 ZINC000013781161 EA Annotated Mild COC[C@]1(O)[C@H]2C[C@]3([C@H](C)CC[C@]3(O)[C@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000013837180 EA Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]21COC1=O ZINC000013837182 EA Annotated Anodyne OC[C@H]1O[C@@](CO)(O[C@@H]2C[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O)[C@@H]1O ZINC000136053075 EA Annotated Anodyne COC1=C(N[C@@H](CO)C(=O)O)C[C@](O)(CO)C/C1=N\CC(=O)O ZINC000136534624 EA Annotated Mild COC1=C(N[C@@H](CO)C(=O)O)C[C@@](O)(CO)C/C1=N\CC(=O)O ZINC000136534671 EA Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](O)C[C@@](C)(OO)[C@@]13O[C@@H]1[C@H](O)[C@@](C)(O)[C@@H]23 ZINC000136952824 EA Annotated Reactive CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C=C(N)C3=O)N1C[C@H]1[C@@H]2N1C ZINC000137572644 EA Annotated Mild C[C@@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000137600144 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000137600230 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O ZINC000137600320 EA Annotated Anodyne C[C@]1(O)C=C[C@]2(OO)[C@H]1[C@H]1OC(=O)[C@@H](CO)[C@@H]1[C@@H](O)C[C@@]2(C)O ZINC000137781978 EA Annotated Reactive CC1(C)O[C@]2(CO)CC[C@H]1C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000137821715 EA Annotated Anodyne COC1=CC(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3[C@H](CN21)N3C ZINC000014261647 EA Annotated Mild C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000014416816 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000014416818 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000014416820 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000014416822 EA Annotated Mild in-man COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@H](O)[C@@](C)(O)[C@H]1O ZINC000014417540 EA Annotated Mild O=C(OC[C@@H]1O[C@H](O)[C@](O)(CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014491821 EA Annotated Clean in-man O=C(OC[C@@H]1O[C@H](O)[C@@](O)(CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014491824 EA Annotated Clean in-man O=C(OC[C@@H]1O[C@@H](O)[C@](O)(CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014491827 EA Annotated Clean in-man O=C(OC[C@@H]1O[C@@H](O)[C@@](O)(CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014491830 EA Annotated Clean in-man N=c1nnc(=N)c1=NNc1ccc(S(=O)(=O)NN=C(N)N)cc1 ZINC000140263268 EA Annotated Mild OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O ZINC000143711238 EA Annotated Anodyne CO[C@@H]1OC[C@@H]2[C@H]3C[C@@]4(C(=O)O3)[C@H](C)[C@H](O)[C@@H](O)[C@]4(O)[C@]2(C)[C@H]1O ZINC000144050232 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](CN)CC[C@@H]2N)[C@@H](N)[C@@H](O)[C@@H]1OC ZINC000014584079 EA Annotated Anodyne C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588914 EA Annotated Mild in-man endogenous C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588915 EA Annotated Mild in-man endogenous C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588916 EA Annotated Mild in-man endogenous C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000014588917 EA Annotated Mild in-man endogenous C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590114 EA Annotated Mild in-man C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014590115 EA Annotated Mild in-man O=C(O)[C@H](O)CCN[C@@H](C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000014610456 EA Annotated Anodyne in-man O=C(O)[C@H](O)CCN[C@@H](C(=O)O)[C@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000014610458 EA Annotated Anodyne in-man COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](CO)C(=O)O ZINC000014611893 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](CO)C(=O)O ZINC000014611894 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](CO)C(=O)O ZINC000014611895 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](CO)C(=O)O ZINC000014611896 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@@H](C)O ZINC000014636558 EA Annotated Mild in-man COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@@H](C)O ZINC000014636562 EA Annotated Mild in-man O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2c2cc3c(c(O)c21)OCO3 ZINC000014636729 EA Annotated Anodyne O=C1N[C@@H]2[C@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@H](O)[C@H](O)[C@H]2O ZINC000014636731 EA Annotated Anodyne O=C1N[C@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]2c2cc3c(c(O)c21)OCO3 ZINC000014636733 EA Annotated Anodyne O=C1N[C@@H]2[C@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O ZINC000014636734 EA Annotated Anodyne O=[N+]([O-])c1ccc(N/N=C(\CO)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])c1 ZINC000014649488 EA Annotated Mild O=C(O)[C@H]1C[C@@H](O)[C@H]2[C@@H](C1)O[C@@]1(C[C@H](O)[C@H](CO)CO1)[C@]2(O)CO ZINC000014653906 EA Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C[C@@H](O)[C@H]2[C@@H](C1)O[C@@]1(C[C@H](O)[C@@H](CO)CO1)[C@]2(O)CO ZINC000014653909 EA Annotated Anodyne O=C(O)[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(C[C@H](O)[C@H](CO)CO1)[C@]2(O)CO ZINC000014653918 EA Annotated Anodyne in-vitro biogenic COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@@](O)(CO)C/C1=N\CC(=O)O ZINC000014677360 EA Annotated Mild COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N/[C@@H](C(=O)O)[C@H](C)O ZINC000014677361 EA Annotated Mild in-vitro O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014684782 EA Annotated Clean in-man O=C(O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014684783 EA Annotated Clean in-man O=C(O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000014684784 EA Annotated Clean in-man O=C(O)CC1=C(c2c(CC(=O)O)[nH]c(=O)c(O)c2O)NC(=O)C1=O ZINC000014688729 EA Annotated Mild N=C1N[C@H]2[C@@H](COC(=O)NO)N(O)C(=N)N3CCC(O)(O)[C@@]23N1 ZINC000014691905 EA Annotated Anodyne in-man biogenic C[C@H]1c2cc(O)c(O)cc2CCN1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014723161 EA Annotated Clean C[C@@H]1c2cc(O)c(O)cc2CCN1C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000014723163 EA Annotated Clean in-vitro biogenic CC(C)[C@@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000014766679 EA Annotated Anodyne in-man CC(C)[C@]12C[C@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000014766680 EA Annotated Anodyne in-man CC(C)(O)[C@@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000014766699 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000014766701 EA Annotated Anodyne in-man COC[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828120 EA Annotated Anodyne in-man endogenous COC[C@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@@H](O)C(=O)O2 ZINC000014828122 EA Annotated Anodyne in-man endogenous N[C@@H](CC(=O)O)C(=O)N(O)[C@@H](CC(=O)O)C(=O)N[C@@H]1CONC1=O ZINC000014856948 EA Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@@]1(O)C(=O)OC[C@]12C ZINC000145714945 EA Annotated Anodyne CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCN1CCOCC1 ZINC000147967845 EA Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000148240668 EA Annotated Anodyne Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c1C ZINC000001529923 EA Annotated Anodyne in-man endogenous N#CCN(CO)c1nc(N(CO)CC#N)nc(N(CO)CC#N)n1 ZINC000001535905 EA Annotated Mild O=C(O)[C@@H]1[C@H]2C(=O)NC(=O)[C@H]2[C@H](C(=O)O)[C@@H]2[C@H]1[C@@H]1C(=O)NC(=O)[C@@H]12 ZINC000001585597 EA Annotated Anodyne CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O ZINC000001605354 EA Annotated Mild CCN(C[C@H](O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(C)=O ZINC000001617270 EA Annotated Anodyne CCN(CC)c1ncnc2c1ncn2CCNC(CO)(CO)CO ZINC000001647090 EA Annotated Anodyne Cn1c(=O)c2nc3c(=O)n(C)c(=O)n(CC(N)=O)c3nc2n(C)c1=O ZINC000001651645 EA Annotated Bother CNc1ncnc2c1cnn2Cc1cn(COC[C@H](O)CO)nn1 ZINC000001656916 EA Annotated Anodyne COc1ncnc2c1cnn2Cc1cn(COC[C@H](O)CO)nn1 ZINC000001656918 EA Annotated Anodyne NNc1nnc(CCCCCCCCc2nnc(NN)n2N)n1N ZINC000001859708 EA Annotated Anodyne O=P(O)(O)C(NC[C@@H](O)CN1CCOCC1)P(=O)(O)O ZINC000001859961 EA Annotated Anodyne C[C@](O)(P(=O)(O)O)[P@](=O)(O)OC[C@@H](O)CN1CCOCC1 ZINC000001859963 EA Annotated Anodyne O=C(N[C@H](CO)C(=O)O)c1nccnc1C(=O)N[C@H](CO)C(=O)O ZINC000001891615 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169342 EA Annotated Anodyne in-man metabolite CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169343 EA Annotated Anodyne in-man metabolite CC1(C)O[C@]2(C)CC[C@@]1(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000015169345 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@]1(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000015169346 EA Annotated Anodyne in-man CC1(C)O[C@@]2(CO)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169365 EA Annotated Anodyne in-man CC1(C)O[C@]2(CO)CC[C@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000015169367 EA Annotated Anodyne in-man O=C(OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015218406 EA Annotated Clean in-man O=C(OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015218409 EA Annotated Clean in-man O=C(OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015218412 EA Annotated Clean in-man O=C(OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015218415 EA Annotated Clean in-man O=C(OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015218428 EA Annotated Clean O=C(O[C@H]1C(=O)O[C@@H]([C@@H](O)C(=O)O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015249507 EA Annotated Clean in-vitro biogenic O=C(O[C@H]1[C@H](O)C(=O)O[C@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249525 EA Annotated Clean in-man O=C(O[C@H]1[C@H](O)C(=O)O[C@H]1[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249528 EA Annotated Clean in-man O=C(O[C@H]1[C@H](O)C(=O)O[C@@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249531 EA Annotated Clean in-man O=C(O[C@H]1[C@H](O)C(=O)O[C@@H]1[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000015249534 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H]1OC(=O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015249537 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015249546 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000015249549 EA Annotated Clean in-man biogenic C[C@@H]1O[C@@H](O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000015250256 EA Annotated Anodyne in-man COC1=C/C(=C\NNC(=O)CN2CCS(=O)(=O)CC2)C(=O)C=C1 ZINC000015884932 EA Annotated Reactive N/C(=N\[N+](=O)[O-])NN/C=c1/cc/c(=C2\C=CC(=O)C(C(=O)O)=C2)o1 ZINC000015974388 EA Annotated Mild O=C(O)CNC(=O)[C@@H]1CSCN2CN1C(=O)CC[C@H]2C(=O)O ZINC000016052367 EA Annotated Anodyne CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@H](O)[C@H](O)[C@H](O)CO ZINC000016052607 EA Annotated Anodyne COc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(Cl)c(=O)[nH]1 ZINC000016952436 EA Annotated Anodyne CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@H]12 ZINC000169098408 EA Annotated Mild O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[C@@H](O)C(Cl)(Cl)Cl ZINC000169292637 EA Annotated Anodyne Nc1ccn([C@@H](CO)O[C@@H](CO)[C@H](O)CP(=O)(O)O)c(=O)n1 ZINC000169308942 EA Annotated Anodyne NCCCCCCS(=O)(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169315775 EA Annotated Anodyne CC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=O)n(C)c(=O)n32)[C@@H]1OC(C)=O ZINC000169316286 EA Annotated Anodyne CO[C@H](CO)C1=C(N2CC2)C(=O)C([C@H](CO)OC)=C(N2CC2)C1=O ZINC000169320080 EA Annotated Mild CO[C@H](CO)C1=C(N2CC2)C(=O)C([C@@H](CO)OC)=C(N2CC2)C1=O ZINC000169320082 EA Annotated Mild CO[C@@H](CO)C1=C(N2CC2)C(=O)C([C@H](CO)OC)=C(N2CC2)C1=O ZINC000169320083 EA Annotated Mild C[C@]1(C(=O)O)N=C2c3ncn(CCCO)c3N=CN2[C@](C)(O)[C@@H]1O ZINC000169332720 EA Annotated Anodyne CCOC(=O)[C@H]1O[C@@H](N2C[C@@H]([N+](=O)[O-])C(=O)NC2=O)[C@H](O)[C@@H]1O ZINC000169339168 EA Annotated Mild CCOC(=O)[C@H]1O[C@@H](N2C[C@H]([N+](=O)[O-])C(=O)NC2=O)[C@H](O)[C@@H]1O ZINC000169339169 EA Annotated Mild O=C(N[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000169344828 EA Annotated Anodyne O=C(N[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000169344830 EA Annotated Anodyne O=C(N[C@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000169344831 EA Annotated Anodyne O=C(N[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000169344833 EA Annotated Anodyne O=C1N[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000169349088 EA Annotated Anodyne CCCC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO ZINC000169352913 EA Annotated Anodyne CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCN1CCNCC1 ZINC000169352916 EA Annotated Anodyne C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000169358669 EA Annotated Anodyne C[C@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000169358670 EA Annotated Anodyne C[C@@H]1C(=O)O[C@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000169358671 EA Annotated Anodyne C[C@H]1C(=O)O[C@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23 ZINC000169358672 EA Annotated Anodyne CO[C@@H]1C[C@H]2CO[C@@H]([C@H]2N[C@@H]2C[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169359489 EA Annotated Anodyne CO[C@@H]1C[C@@H]2CO[C@H]([C@H]2N[C@@H]2C[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000169359490 EA Annotated Anodyne O=C1NC(=O)[C@@H]2[C@H]1[C@H](C(=O)O)[C@@H]1[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000169366660 EA Annotated Anodyne O=C1NC(=O)[C@@H]2[C@H]1[C@H](C(=O)O)[C@H]1[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000169366661 EA Annotated Anodyne O=C1NC(=O)[C@@H]2[C@H]1[C@@H](C(=O)O)[C@H]1[C@@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000169366662 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1[C@@H]2[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(CO)C(=O)[C@@H]21 ZINC000169369585 EA Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@@H]3C(=O)N(CO)C(=O)[C@@H]34)[C@H]2C(=O)N1CO ZINC000169369586 EA Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]4[C@@H]5C(=O)N(CO)C(=O)[C@@H]5[C@@H]34)[C@H]2C(=O)N1CO ZINC000169369587 EA Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4[C@H]3[C@H]3C(=O)N(CO)C(=O)[C@H]43)[C@H]2C(=O)N1CO ZINC000169369588 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000169369752 EA Annotated Anodyne O=[S@@]1C[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000169369753 EA Annotated Anodyne O=[S@]1C[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000169369754 EA Annotated Anodyne O=[S@@]1C[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000169369755 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1[C@@H]2[C@@H]2CC[C@@H]1[C@H]1C(=O)N(CO)C(=O)[C@@H]21 ZINC000169369823 EA Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@H]4[C@H]3[C@@H]3C(=O)N(CO)C(=O)[C@@H]34)[C@H]2C(=O)N1CO ZINC000169369825 EA Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@@H]4[C@@H]5C(=O)N(CO)C(=O)[C@@H]5[C@@H]34)[C@H]2C(=O)N1CO ZINC000169369826 EA Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@H]4[C@H]3[C@H]3C(=O)N(CO)C(=O)[C@H]43)[C@H]2C(=O)N1CO ZINC000169369828 EA Annotated Anodyne COc1cc(O)c2c(c1)[C@@H](O)[C@H]1[C@H](C2=O)[C@@H](O)[C@H](O)[C@](C)(O)[C@H]1O ZINC000169662445 EA Annotated Anodyne Cc1ncc(CO)c(CNNC(=O)C2=CC(=O)C(=O)C(=O)C2)c1O ZINC000169689044 EA Annotated Reactive NCCC[PH](O)(O)CC(=O)CNC(=O)c1ccccc1C(N)=O ZINC000169713853 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@H](C(=O)O)[C@@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000017141249 EA Annotated Anodyne O=C(O)[C@@H]1O[C@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017141796 EA Annotated Anodyne O=C(O)[C@@H]1O[C@H](Sc2ncnc3[nH]cnc23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000017141797 EA Annotated Anodyne O=C(O)[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017141798 EA Annotated Anodyne O=C(O)[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000017141799 EA Annotated Anodyne CCN(C[C@@H](O)COc1ccc2c(c1)[n+]([O-])nc(N)[n+]2[O-])C(C)=O ZINC000017189600 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1 ZINC000017191019 EA Annotated Anodyne CSc1nc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1 ZINC000017191023 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C ZINC000017191028 EA Annotated Anodyne CSc1nc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C ZINC000017191032 EA Annotated Anodyne COc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000017194150 EA Annotated Anodyne COc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000017194153 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000017194160 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000017194163 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000017194172 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000017194174 EA Annotated Anodyne Nc1nc(=O)c2c([nH]1)[n+]([C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)cn2CCO ZINC000017198107 EA Annotated Anodyne Nc1nc(=O)c2c([nH]1)[n+]([C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O)cn2CCO ZINC000017198110 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)N=O ZINC000017214395 EA Annotated Anodyne CSCC[C@@H](C(=O)O)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)N=O ZINC000017214398 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)N=O ZINC000017214401 EA Annotated Anodyne CSCC[C@@H](C(=O)O)N(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)N=O ZINC000017214404 EA Annotated Anodyne COC1=NC(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)=C(NC(C)=O)CN1C ZINC000017222397 EA Annotated Anodyne COC1=NC(N[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)=C(NC(C)=O)CN1C ZINC000017222400 EA Annotated Anodyne CN(C)c1cnn(CCn2cnc3c2c(=O)n(C)c(=O)n3C)c(=O)c1 ZINC000019148438 EA Annotated Anodyne CCOC(=O)CN1CCNCCN(CC(=O)OCC)CCNCC1 ZINC000019362260 EA Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31 ZINC000195237257 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@@H]3[C@H]12 ZINC000195237267 EA Annotated Anodyne O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31 ZINC000195237279 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@H]1C=C[C@H]2[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@@H]3[C@H]12 ZINC000195237289 EA Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31 ZINC000195246519 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1CC[C@H]2[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@@H]3[C@H]12 ZINC000195246530 EA Annotated Anodyne O=C1[C@H]2[C@H]3CC[C@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31 ZINC000195246539 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@H]1CC[C@H]2[C@H]2[C@H]3C(=O)N(CO)C(=O)[C@@H]3[C@H]12 ZINC000195246550 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@H]1[C@H](C(=O)O)[C@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000195286366 EA Annotated Anodyne O=[S@@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H](O)C[C@H](O)[C@@H](O)[C@@H](O)C1 ZINC000195341877 EA Annotated Anodyne O=[S@@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@H](O)[C@@H](O)[C@@H](O)C1 ZINC000195341884 EA Annotated Anodyne O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1 ZINC000195452754 EA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1 ZINC000195452763 EA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195455874 EA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195455880 EA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000195455886 EA Annotated Mild Cn1c(=O)n2n(c1=O)[C@@H]1C(=CC2)[C@H]2C=C[C@H]1n1c(=O)n(C)c(=O)n12 ZINC000195514440 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@H]2O ZINC000195861311 EA Annotated Anodyne C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000197445604 EA Annotated Mild COC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cn(C)cn2)[C@@H](CO)O1 ZINC000199225362 EA Annotated Anodyne CO[C@@]12[C@@H]3[C@H](CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O)N3C ZINC000002031047 EA Annotated Mild C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000201161025 EA Annotated Mild OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000201545523 EA Annotated Anodyne C=C(C)[C@H]1[C@H](C(=O)OC)[C@]2(O)[C@@H]3O[C@H]1[C@H]1OC[C@@](O)([C@@H]3O)[C@]12C ZINC000201780342 EA Annotated Mild Cn1c(=O)c2cc(S(=O)(=O)N3CCNCC3)ccc2n(C)c1=O ZINC000206495152 EA Annotated Anodyne N=C1N(O)[C@@H](COC(=O)NO)[C@H]2N=C(N)N[C@@]23N1CCC3(O)O ZINC000206507623 EA Annotated Anodyne in-man biogenic N=C1N(O)[C@@H](COC(=O)NO)[C@H]2N=C(N)N[C@]23N1CCC3(O)O ZINC000206507655 EA Annotated Anodyne in-man biogenic OCCOCn1cnc2cnc(N[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nc21 ZINC000206830259 EA Annotated Anodyne C[C@@H](O)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)(C)O ZINC000210518994 EA Annotated Bother C[C@H](O)[C@@](C)(O)[C@](C)(O)C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12 ZINC000210519093 EA Annotated Bother Cc1nc2c(=O)nc(N)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C ZINC000214835084 EA Annotated Anodyne in-vitro C=Cc1ccccc1CN(C)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000215620840 EA Annotated Anodyne CN1CCN=C1NC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220090786 EA Annotated Mild O=C(O[C@@H]1CNOC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220097781 EA Annotated Mild O=C(OC1CNNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000220105336 EA Annotated Mild CO[C@@H]1[C@@H](C(=O)O)O[C@H](O[C@@H](C=O)[C@@H](O)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000220619558 EA Annotated Mild O=C(CCNC(=O)Cn1cnc2c(N3CCOCC3)ncnc21)NO ZINC000221247907 EA Annotated Bother N[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000222017204 EA Annotated Mild O=C(N[C@@H]1CCCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O ZINC000222020505 EA Annotated Mild N=C(N)NC[C@@H](O)C[C@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O ZINC000022923755 EA Annotated Anodyne in-vitro NC(N)=NC[C@@H](O)C[C@@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O ZINC000022930761 EA Annotated Mild in-vitro CC(C)[C@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000230076778 EA Annotated Anodyne in-man CC(C)[C@@]12C[C@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000230076782 EA Annotated Anodyne in-man CC(C)(O)[C@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000230076788 EA Annotated Anodyne in-man CC(C)(O)[C@@]12C[C@H]1[C@@](C)(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000230076793 EA Annotated Anodyne in-man CC1(C)O[C@]2(CO)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230079885 EA Annotated Anodyne in-man CC1(C)O[C@@]2(CO)CC[C@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000230079892 EA Annotated Anodyne in-man O=C(O[C@H](C(=O)O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230089202 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@@H]1OC(=O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230089208 EA Annotated Clean in-man O=C(O[C@H](C(=O)O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230089213 EA Annotated Clean in-man O=C(O[C@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230096816 EA Annotated Clean in-man O=C(O[C@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230096819 EA Annotated Clean in-man O=C(O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230096823 EA Annotated Clean in-man O=C(O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230096828 EA Annotated Clean in-man O=C(OC[C@@H]1O[C@H](O)[C@@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230097216 EA Annotated Clean in-man O=C(OC[C@H]1O[C@H](O)[C@@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000230097221 EA Annotated Clean in-man C=CC[S@@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000230101735 EA Annotated Mild in-man C=CC[S@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000230101745 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000230162859 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000230162866 EA Annotated Mild in-man C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000230162874 EA Annotated Mild in-man O=[S@]1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C[C@@H](O)C[C@H](O)[C@@H](O)[C@@H](O)C1 ZINC000238731481 EA Annotated Anodyne NC[C@H](O)[C@H](O[C@H]1O[C@@H](CO)[C@@H](N)[C@H](O)[C@@H]1O)[C@H](N)[C@H](O)CO ZINC000238731892 EA Annotated Anodyne O=C(O)[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(C[C@@H](O)[C@H](CO)CO1)[C@]2(O)CO ZINC000238732346 EA Annotated Anodyne COC[C@@]1(O)[C@@H]2C[C@@]3([C@@H](C)CC[C@@]3(O)[C@@]13COC3=O)[C@H](O)C(=O)O2 ZINC000238732594 EA Annotated Anodyne N[C@H]1[C@@H](O)[C@@H](O)[C@H](O)O[C@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO ZINC000238732749 EA Annotated Anodyne COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N/[C@@H](CO)C(=O)O ZINC000238733227 EA Annotated Mild C=CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238733260 EA Annotated Mild CNC[C@H]1CC[C@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@H](NC)[C@H]2O)O1 ZINC000238733828 EA Annotated Anodyne O=C(O)C[C@H](c1ccc(O)cc1)[C@]1(O)C(=O)O[C@H]([C@@H](O)CO)[C@H]1O ZINC000238735443 EA Annotated Anodyne OC[C@H](O)[C@@H]1O[C@H](O[C@H](CO)[C@@H]2O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000238735644 EA Annotated Anodyne OC[C@H](O)[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O ZINC000238735650 EA Annotated Anodyne C=C(C(=O)OC)[C@@H]1[C@@H](O)C[C@]2(C)[C@@H]([C@H]1O)[C@](O)(CO)CC[C@H]2O ZINC000238735820 EA Annotated Mild N[C@@H]1[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O[C@@H](O)[C@H](O)[C@@H]1O ZINC000238736242 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1OC ZINC000238738253 EA Annotated Anodyne CC(C)[C@@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]2O ZINC000238738591 EA Annotated Anodyne OC[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]1O)[C@H](O)CO ZINC000238738850 EA Annotated Anodyne CC(=O)NC1=C/C(=C2/C=C(NC(C)=O)C(=O)NC2=O)C(=O)NC1=O ZINC000238739793 EA Annotated Anodyne O=C(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000238739831 EA Annotated Clean N[C@H](CO)[C@@H]1N/C(=N/[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2N)N[C@H]1C(=O)O ZINC000238739956 EA Annotated Mild CC(=O)O[C@@H]1[C@@H](C(C)=O)O[C@@](CO)(OC(C)=O)[C@H](O)[C@H]1OC(C)=O ZINC000238740645 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@@H]2OC(CN)=CC[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1OC ZINC000238741039 EA Annotated Anodyne CC(C)[C@H](N)C(=O)NC[C@H]([C@H]1CN2C(=O)C[C@H]2O1)[C@@H](O)C(=O)O ZINC000238741249 EA Annotated Anodyne C[C@]1(O)CC[C@]2(O)C=CO[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 ZINC000238741757 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@H](O)[C@@H]1OC ZINC000238741806 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@H](N)C[C@H]1OC ZINC000238741984 EA Annotated Anodyne O=c1[nH]c(=O)c2nc(CO)c(=O)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2[nH]1 ZINC000238742415 EA Annotated Anodyne CO[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2O)O[C@H]2CO[C@@H]1[C@@H]2O ZINC000238742642 EA Annotated Anodyne COC(=O)[C@@H]1[C@@H](O)O[C@H]2O[C@H]3[C@H]([C@H](C)O)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000238742701 EA Annotated Anodyne OC[C@@H](O)[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000238743244 EA Annotated Anodyne C[C@]1(O)CC[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]21COC1=O ZINC000238745983 EA Annotated Anodyne NC[C@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H](N)[C@H](O)CO ZINC000238745998 EA Annotated Anodyne C[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@@]1(O)C(=O)OC[C@]12C ZINC000238746276 EA Annotated Anodyne OC[C@H]1O[C@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000238746502 EA Annotated Anodyne CC(C)(O)[C@@]12C[C@@H]1[C@@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]2O ZINC000238747486 EA Annotated Anodyne COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238747920 EA Annotated Mild COc1c(O)cc2c(c1O)C[C@]1(OC2=O)O[C@H](CO)[C@@H](O)[C@H]1O ZINC000238749458 EA Annotated Anodyne COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@](O)(CO)C/C1=N\CC(=O)O ZINC000238750858 EA Annotated Mild C[C@@H]1O[C@@H](O[C@H]2COc3cc(O)cc(O)c3C2=O)[C@H](O)[C@H](O)[C@H]1O ZINC000238751505 EA Annotated Anodyne OC[C@H](O)[C@@H]1O[C@@H](O[C@@H]2[C@H]([C@H](O)CO)O[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O ZINC000238751822 EA Annotated Anodyne C[C@H]1C(=O)C[C@]2(O)[C@]13C[C@H](OC(=O)[C@H]3O)[C@]1(O)C(=O)OC[C@@]12C ZINC000238752356 EA Annotated Anodyne COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238752470 EA Annotated Mild C[C@H]1O[C@@H](OC[C@]2(C)O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238752532 EA Annotated Anodyne C[C@@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238754263 EA Annotated Anodyne CN[C@H]1[C@H](OC)[C@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H]3CC[C@@H]2N=C3C)[C@@H]1O ZINC000238754980 EA Annotated Anodyne CNC[C@@H]1CC[C@@H](N)[C@H](O[C@@H]2[C@@H](N)C[C@@H](OC)[C@H](NC)[C@H]2O)O1 ZINC000238756613 EA Annotated Anodyne COC1=C(C2=C(OC)C(=O)C(=O)N(C)C2=O)C(=O)N(C)C(=O)C1=O ZINC000238756849 EA Annotated Mild CN[C@@H]1[C@H](O)[C@@H](O[C@@H]2OC(CN)=CC[C@H]2N)[C@@H](N)[C@@H](O)[C@H]1OC ZINC000238757398 EA Annotated Anodyne CC(=O)OCC(=O)N[C@@H]1[C@@H](C)C[C@](O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](C)O ZINC000238757647 EA Annotated Anodyne COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238757701 EA Annotated Mild OC[C@H](O)[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O ZINC000238757845 EA Annotated Anodyne O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000238758033 EA Annotated Anodyne COC[C@@H]1O[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](OC)[C@@H](O)[C@@H]1O ZINC000238758093 EA Annotated Anodyne O=C1O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)c2c1cc(O)c(CO)c2O ZINC000238758616 EA Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(C)COC(=O)[C@]3(O)[C@@H]3C[C@]12[C@H](O)C(=O)O3 ZINC000238758719 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@@H]2OC([C@H](C)N)=CC[C@H]2N)[C@H](N)[C@@H](O)[C@@H]1O ZINC000238758785 EA Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(C)COC(=O)[C@]3(O)[C@H]3C[C@]12[C@@H](O)C(=O)O3 ZINC000238760322 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@H](O[C@H]2O[C@@H](CO)CC[C@@H]2N)[C@@H](N)[C@@H](O)[C@@H]1OC ZINC000238760671 EA Annotated Anodyne NC[C@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](N)[C@H](O)CO ZINC000238761910 EA Annotated Anodyne OC[C@H]1O[C@@](CO)(O[C@@H]2CO[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000238761954 EA Annotated Anodyne CN[C@@H]1[C@@H](OC)C[C@@H](N)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H]1O ZINC000238762578 EA Annotated Anodyne NC[C@H](O)[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](N)[C@H](O)CO ZINC000238763780 EA Annotated Anodyne NC[C@H](O)[C@H](O[C@H]1O[C@H](CO)[C@H](N)[C@@H](O)[C@H]1O)[C@H](N)[C@H](O)CO ZINC000238764641 EA Annotated Anodyne CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@@H]3C(=O)O[C@H]2[C@@]31C ZINC000238764885 EA Annotated Anodyne COc1cc(O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1CO ZINC000238765105 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](O[C@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@H](N)[C@H](O)[C@@H]1OC ZINC000238765355 EA Annotated Anodyne O=C1C[C@H](c2ccc(O)c(O)c2)[C@]2(O1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000238765458 EA Annotated Clean CSC(SC)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](NC(C)=O)[C@@H](C)O ZINC000238765514 EA Annotated Anodyne COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(O)[C@H]3[C@@H](CN21)N3C ZINC000238766097 EA Annotated Mild OC[C@@]1(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000238766107 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@@H](CN)CC[C@@H]2N)[C@H](N)[C@H](O)[C@H]1OC ZINC000238766167 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@H](O)[C@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H]1O ZINC000238766607 EA Annotated Anodyne OC[C@H]1O[C@@](CO)(O[C@@H]2CO[C@](O)(CO)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O ZINC000238767395 EA Annotated Anodyne C[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O ZINC000238767408 EA Annotated Mild CO[C@@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2O)O[C@H]2CO[C@@H]1[C@@H]2O ZINC000238767701 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@@H](O)[C@@H]1O ZINC000238769390 EA Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238772676 EA Annotated Mild N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CC(O)(O)C(O)(O)[C@]23N1 ZINC000238773125 EA Annotated Anodyne O=C(OC[C@]1(O)[C@H](O)O[C@H](CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000238773151 EA Annotated Clean CO[C@H]1[C@H](O[C@H]2OC[C@@H](O)[C@H](OC)[C@H]2OC)CO[C@@H](O)[C@@H]1OC ZINC000238773387 EA Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@@]1(O)C(=O)OC[C@]12C ZINC000238773635 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)C[C@H]1OC ZINC000238773786 EA Annotated Anodyne CN[C@@H]1[C@@H](OC)C[C@@H](N)[C@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H]1O ZINC000238773971 EA Annotated Anodyne COc1c(O)c(O)c(O)c2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O ZINC000238774113 EA Annotated Clean CN[C@H]1[C@H](O)[C@@H]2O[C@@H]3O[C@H](C)C=C(OC)[C@]3(O)O[C@@H]2[C@H](NC)[C@@H]1O ZINC000238774401 EA Annotated Anodyne OC[C@H]1O[C@@](CO)(O[C@H]2CO[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000238774756 EA Annotated Anodyne OCC1=CO[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C=C[C@@H](O)[C@H]12 ZINC000238775271 EA Annotated Anodyne COC1=CC(=O)N[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238775434 EA Annotated Mild N=C1N[C@H](O)[C@@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)C(O)O ZINC000238775900 EA Annotated Anodyne O=C(OC[C@H]1O[C@H](O)[C@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000238775990 EA Annotated Clean OC[C@H](O)[C@@H]1O[C@H](O[C@H](CO)[C@@H]2O[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000238776066 EA Annotated Anodyne C[C@@]12COC(=O)[C@]1(O)[C@@H]1C[C@@]3([C@@H](O)C(=O)O1)[C@]2(O)C[C@@H]1O[C@@]13C ZINC000238777483 EA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1[C@H]2N1C ZINC000238777624 EA Annotated Mild COC(=O)[C@@H]1O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC)[C@H]1NC(C)=O ZINC000238777650 EA Annotated Anodyne COc1ccccc1C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O ZINC000238777901 EA Annotated Anodyne CN[C@H]1[C@H](O)[C@H](O)[C@H](N)[C@@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@H]1O ZINC000238779500 EA Annotated Anodyne COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@@](O)(CO)C/C1=N/CC(=O)O ZINC000238779587 EA Annotated Mild CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@H]12 ZINC000238780958 EA Annotated Anodyne N=C(N)NC[C@H](O)C[C@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O ZINC000238781036 EA Annotated Anodyne C[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H](O)[C@@]2(O)C=COC[C@@H]12 ZINC000238782381 EA Annotated Anodyne CC(=O)n1c(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)cc2ccccc21 ZINC000238782505 EA Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(O)[C@]13C[C@H](OC(=O)[C@H]3O)[C@]1(O)C(=O)OC[C@@]12C ZINC000238782582 EA Annotated Anodyne O=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O ZINC000238783138 EA Annotated Mild CN[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](CN)CC[C@@H]2N)[C@@H](N)[C@@H](O)[C@H]1OC ZINC000238784147 EA Annotated Anodyne CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC000238787212 EA Annotated Anodyne C=C[C@@](O)(CO)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238787423 EA Annotated Mild COC1=C(N[C@@H](CO)C(=O)O)C[C@](O)(CO)C/C1=N/CC(=O)O ZINC000238787446 EA Annotated Mild CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC000238789055 EA Annotated Anodyne C=C[C@@](O)(CO)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789247 EA Annotated Mild CN(CC(=O)O)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C ZINC000002928415 EA Annotated Anodyne O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O ZINC000253635448 EA Annotated Anodyne O=C(N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)c1ccc(F)c(F)c1 ZINC000253635986 EA Annotated Anodyne O=C(N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(F)c(F)c1 ZINC000253635989 EA Annotated Anodyne O=C(N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000253635993 EA Annotated Anodyne O=C(N[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000253635996 EA Annotated Anodyne NC(=O)[C@@H]1O[C@H](Sc2[nH]cnc3ncnc2-3)[C@H](O)[C@@H](O)[C@H]1O ZINC000253674512 EA Annotated Anodyne NC(=O)[C@@H]1O[C@H](Sc2[nH]cnc3ncnc2-3)[C@H](O)[C@H](O)[C@H]1O ZINC000253674514 EA Annotated Anodyne NC(=O)[C@@H]1O[C@H](Sc2[nH]cnc3ncnc2-3)[C@H](O)[C@@H](O)[C@@H]1O ZINC000253674517 EA Annotated Anodyne CO[C@@H]1C[C@H]2CO[C@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000253681733 EA Annotated Anodyne CO[C@@H]1C[C@H]2CO[C@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O ZINC000253681741 EA Annotated Anodyne CO[C@@H]1C[C@H]2CO[C@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O ZINC000253681747 EA Annotated Anodyne O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1CO)[C@@H]1[C@H]3[C@@H]2C(=O)N(CO)C(=O)[C@@H]21 ZINC000253704487 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1[C@@H]2[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(CO)C(=O)[C@H]21 ZINC000253704494 EA Annotated Anodyne O=C1[C@H]2[C@@H]3[C@H]([C@@H]4C=C[C@H]3[C@@H]3C(=O)N(CO)C(=O)[C@H]43)[C@H]2C(=O)N1CO ZINC000253704497 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@H]1[C@@H]2[C@H]2C=C[C@@H]1[C@H]1C(=O)N(CO)C(=O)[C@@H]21 ZINC000253704502 EA Annotated Anodyne O=C1[C@H]2[C@@H]3CC[C@H]([C@H]2C(=O)N1CO)[C@@H]1[C@H]3[C@@H]2C(=O)N(CO)C(=O)[C@@H]21 ZINC000253706300 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@@H]1[C@@H]2[C@@H]2CC[C@H]1[C@@H]1C(=O)N(CO)C(=O)[C@H]21 ZINC000253706304 EA Annotated Anodyne O=C1[C@H]2[C@@H]3[C@H]([C@@H]4CC[C@H]3[C@@H]3C(=O)N(CO)C(=O)[C@H]43)[C@H]2C(=O)N1CO ZINC000253706307 EA Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CO)[C@H]1[C@@H]2[C@H]2CC[C@@H]1[C@H]1C(=O)N(CO)C(=O)[C@@H]21 ZINC000253706310 EA Annotated Anodyne O=[S@]1C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000253798760 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000253798769 EA Annotated Anodyne O=[S@]1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000253798776 EA Annotated Anodyne OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N\Nc1nc(O)c2ccccc2n1 ZINC000254073832 EA Annotated Mild OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=N\Nc1nc(O)c2ccccc2n1 ZINC000254073836 EA Annotated Mild OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N\Nc1nc(O)c2ccccc2n1 ZINC000254073839 EA Annotated Mild COC(=O)C(=O)[C@@H]1CCCC[C@@H](C2=N[C@H]3NN=C(N)N3C2=O)C1=O ZINC000254074080 EA Annotated Anodyne COC1=NC(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)=C(NC(C)=O)CN1C ZINC000254079150 EA Annotated Anodyne COC1=NC(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)=C(NC(C)=O)CN1C ZINC000254079151 EA Annotated Anodyne COC1=NC(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)=C(NC(C)=O)CN1C ZINC000254079153 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(=O)n1C ZINC000254130848 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000254130850 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c(=O)n1C ZINC000254130851 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)N=O ZINC000254136554 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)N=O ZINC000254136556 EA Annotated Anodyne CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)N=O ZINC000254136558 EA Annotated Anodyne OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@H]12 ZINC000255280042 EA Annotated Anodyne O=C(O[C@@H]1[C@H](O)C(=O)O[C@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000257377280 EA Annotated Clean O=C(O[C@@H]1[C@H](O)C(=O)O[C@@H]1[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000257377281 EA Annotated Clean O=C(O[C@@H]1[C@H](O)C(=O)O[C@H]1[C@@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000257377282 EA Annotated Clean C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257403602 EA Annotated Mild C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257403603 EA Annotated Mild C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257403604 EA Annotated Mild C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000257403605 EA Annotated Mild O=C(O[C@@H]1C(=O)O[C@H]([C@@H](O)C(=O)O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000257424780 EA Annotated Clean O=C(O[C@@H]1C(=O)O[C@H]([C@H](O)C(=O)O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000257424781 EA Annotated Clean CC(C)[C@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257440080 EA Annotated Anodyne CC(C)[C@@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257440081 EA Annotated Anodyne CC(C)[C@@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257440082 EA Annotated Anodyne CC(C)[C@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257440083 EA Annotated Anodyne C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O ZINC000257440625 EA Annotated Mild C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)C(=O)O ZINC000257440626 EA Annotated Mild C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)C(=O)O ZINC000257440627 EA Annotated Mild CC1(C)O[C@@]2(C)CC[C@]1(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257447578 EA Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@]1(O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257447579 EA Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@]1(O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257447580 EA Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@]1(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257447581 EA Annotated Anodyne CC1(C)O[C@]2(CO)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257449046 EA Annotated Anodyne CC1(C)O[C@]2(CO)CC[C@@H]1C[C@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257449047 EA Annotated Anodyne CC1(C)O[C@]2(CO)CC[C@@H]1C[C@@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257449048 EA Annotated Anodyne CC1(C)O[C@]2(CO)CC[C@@H]1C[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257449049 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257467681 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257467682 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@@H]2O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257467683 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@H]2O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000257467684 EA Annotated Anodyne O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000257471244 EA Annotated Clean OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000257543300 EA Annotated Anodyne OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O ZINC000257543301 EA Annotated Anodyne OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000257543302 EA Annotated Anodyne O=C(O[C@H](C(=O)O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000257546827 EA Annotated Clean O=C(OC[C@@H]1O[C@H](O)[C@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000257563233 EA Annotated Clean COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@H](C)O ZINC000257565509 EA Annotated Mild COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@H](C)O ZINC000257565510 EA Annotated Mild COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@H](O)[C@](C)(O)[C@@H]1O ZINC000257574542 EA Annotated Mild CC(C)(O)[C@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257618657 EA Annotated Anodyne CC(C)(O)[C@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257618658 EA Annotated Anodyne CC(C)(O)[C@@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@H]2O ZINC000257618659 EA Annotated Anodyne CC(C)(O)[C@@]12C[C@H]1[C@](C)(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C[C@@H]2O ZINC000257618660 EA Annotated Anodyne N=C1N[C@@H]2[C@@H](COC(=O)NO)N(O)C(=N)N3CCC(O)(O)[C@]23N1 ZINC000257641761 EA Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@@](=O)CCl ZINC000026159930 EA Annotated Reactive Cc1[nH]c(=O)[nH]c(=O)c1/C=C/C(=O)N[C@@H](CO)C[S@](=O)CCl ZINC000026159937 EA Annotated Reactive CC1(C)O[C@H]2[C@@H](C/N=C(\N)N=C(N)N)O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000026190152 EA Annotated Mild CC1(C)O[C@H](C/N=C(\N)N=C(N)N)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 ZINC000026256239 EA Annotated Mild CC1(C)O[C@H]2[C@@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C/N=C(\N)N=C(N)N)O1 ZINC000026256246 EA Annotated Mild CC1(C)O[C@H]2O[C@@H]3[C@@H](C/N=C(\N)N=C(N)N)OC(C)(C)O[C@H]3[C@H]2O1 ZINC000026256251 EA Annotated Mild CC1(C)O[C@H]2[C@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C/N=C(\N)N=C(N)N)O1 ZINC000026256259 EA Annotated Mild O=C1N=C(O)[C@H]2[C@H]1[C@@H](C(=O)O)[C@@H]1[C@H]3C(=O)NC(=O)[C@@H]3[C@@H]1[C@H]2C(=O)O ZINC000026266733 EA Annotated Anodyne CSc1c(C(N)=O)c2c(=O)[nH]c(N)nc2n1C[C@H](O)CCO ZINC000026275251 EA Annotated Anodyne C[C@@H]1O[C@@H](S[C@@H]2C[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026276389 EA Annotated Anodyne C[C@H]1O[C@@H](S[C@@H]2C[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026276395 EA Annotated Anodyne C[C@@H]1O[C@H](S[C@@H]2C[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026276400 EA Annotated Anodyne C[C@H]1O[C@H](S[C@@H]2C[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000026276406 EA Annotated Anodyne CN(C(=O)C[C@@H](N)C[C@@H](O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026484975 EA Annotated Mild CN(C(=O)C[C@@H](N)C[C@@H](O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026484982 EA Annotated Mild CN(C(=O)C[C@@H](N)C[C@H](O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026484988 EA Annotated Mild CN(C(=O)C[C@@H](N)C[C@H](O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026484994 EA Annotated Mild CN(C(=O)C[C@@H](N)CCC(N)=O)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026487454 EA Annotated Mild CN(C(=O)C[C@@H](N)CCC(N)=O)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026487460 EA Annotated Mild CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026491522 EA Annotated Mild CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026491527 EA Annotated Mild CCNCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026493071 EA Annotated Mild CCNCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026493075 EA Annotated Mild CN(C(=O)C[C@@H](N)CCN=C(N)N)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494689 EA Annotated Mild CN(C(=O)C[C@@H](N)CCN=C(N)N)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026494693 EA Annotated Mild C[C@@H](N)CC[C@@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497299 EA Annotated Mild C[C@H](N)CC[C@@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497304 EA Annotated Mild C[C@@H](N)CC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497308 EA Annotated Mild C[C@H](N)CC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497312 EA Annotated Mild CN(C(=O)C[C@@H](N)CC(=O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497707 EA Annotated Mild CN(C(=O)C[C@@H](N)CC(=O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026497710 EA Annotated Mild C[C@@H]1O[C@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@@H]1O ZINC000261161037 EA Annotated Anodyne C[C@@H]1O[C@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000261161040 EA Annotated Anodyne C[C@@H]1O[C@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O ZINC000261161042 EA Annotated Anodyne C[C@@H]1O[C@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000261161044 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000261498883 EA Annotated Mild in-vitro endogenous C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000261498884 EA Annotated Mild in-vitro endogenous C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000261498885 EA Annotated Mild in-vitro endogenous O=C(OC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000261499719 EA Annotated Clean in-man O=C(OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000261499720 EA Annotated Clean in-man O=C(OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000261499721 EA Annotated Clean in-man CSc1nc(O)c2nc(N)n([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c2n1 ZINC000263596897 EA Annotated Anodyne CSc1nc(O)c2nc(N)n([C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)c2n1 ZINC000263596898 EA Annotated Anodyne CSc1nc(O)c2nc(N)n([C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)c2n1 ZINC000263596899 EA Annotated Anodyne Cn1c(=O)c2nc(N=NN3CCN(CCO)CC3)[nH]c2n(C)c1=O ZINC000263601873 EA Annotated Clean COc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(=O)n1C ZINC000263606762 EA Annotated Anodyne COc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c(=O)n1C ZINC000263606763 EA Annotated Anodyne COc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c(=O)n1C ZINC000263606764 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(N)c(=O)n1C ZINC000263609737 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(N)c(=O)n1C ZINC000263609738 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)n1C ZINC000263609739 EA Annotated Anodyne CSc1nc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C ZINC000263609740 EA Annotated Anodyne CSc1nc(O)c(N)c(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)n1 ZINC000263610273 EA Annotated Anodyne CSc1nc(O)c(N)c(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)n1 ZINC000263610274 EA Annotated Anodyne CSc1nc(O)c(N)c(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)n1 ZINC000263610275 EA Annotated Anodyne CSc1nc(O)c(N)c(N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1 ZINC000263610276 EA Annotated Anodyne CC1=C(O)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C-]2COC(N)=O ZINC000263614508 EA Annotated Mild Nc1nc(O)c2c(n1)N[C@@H]1O[C@@H]3CO[P@@](=O)(O)O[C-]3C(=O)[C@@H]1N2 ZINC000263614702 EA Annotated Anodyne in-vitro CO[C@@]12[C-](COC(N)=O)C3=C(C(=O)C(C)=C(O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000263614724 EA Annotated Mild CC1=C(O)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O ZINC000263614741 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000263614753 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000263614902 EA Annotated Mild NCCONC(=O)[C@@H]1CC[C@@H](NOS(=O)(=O)O)CN1C=O ZINC000263621307 EA Annotated Mild CN(C(=O)C[C@@H](N)CC[C@H](N)CO)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026501439 EA Annotated Mild CN(C(=O)C[C@@H](N)CC[C@H](N)CO)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026501441 EA Annotated Mild COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026570909 EA Annotated Anodyne CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 ZINC000026570913 EA Annotated Anodyne CN(C(=O)C[C@@H](N)CSCCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026637753 EA Annotated Mild CN(C(=O)C[C@@H](N)CSCCN)[C@H]1CN=C(/N=C(/N)O)NC1=O ZINC000026637758 EA Annotated Mild O=C(N[C@@H](CO)C(=O)O)c1nccnc1C(=O)N[C@H](CO)C(=O)O ZINC000026741375 EA Annotated Anodyne O=C(N[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(F)c(F)c1 ZINC000026988392 EA Annotated Anodyne O=C(N[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@H]1O)c1ccc(F)c(F)c1 ZINC000026988399 EA Annotated Anodyne O=C(N[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000026988406 EA Annotated Anodyne O=C(N[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(F)c(F)c1 ZINC000026988412 EA Annotated Anodyne CSC[S@@](=O)C[C@@H](CO)NC(=O)/C=C\c1c[nH]c(=O)[nH]c1=O ZINC000026991516 EA Annotated Anodyne CSC[S@](=O)C[C@@H](CO)NC(=O)/C=C\c1c[nH]c(=O)[nH]c1=O ZINC000026991523 EA Annotated Anodyne CSC[S@@](=O)C[C@H](CO)NC(=O)/C=C\c1c[nH]c(=O)[nH]c1=O ZINC000026991530 EA Annotated Anodyne CSC[S@](=O)C[C@H](CO)NC(=O)/C=C\c1c[nH]c(=O)[nH]c1=O ZINC000026991535 EA Annotated Anodyne CSC[S@@](=O)C[C@@H](CO)NC(=O)/C=C/c1c[nH]c(=O)[nH]c1=O ZINC000026992207 EA Annotated Anodyne CSC[S@](=O)C[C@@H](CO)NC(=O)/C=C/c1c[nH]c(=O)[nH]c1=O ZINC000026992212 EA Annotated Anodyne CSC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c[nH]c(=O)[nH]c1=O ZINC000026992216 EA Annotated Anodyne CSC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c[nH]c(=O)[nH]c1=O ZINC000026992220 EA Annotated Anodyne C=CCn1c(=O)n([C@@H](CO)OC(CO)CO)c2nc(N)[nH]c(=O)c21 ZINC000027109772 EA Annotated Mild NC(=O)[C@H]1CS[C@@H]2C[C@H](N3CC(=O)N4CCC[C@H]4C3=O)C(=O)N12 ZINC000027183923 EA Annotated Anodyne CNCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C)P(=O)(O)O ZINC000027312821 EA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)[C@@H](CO)C(N)=O)S[C@H]12 ZINC000027418709 EA Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN(C)[C@H](CO)C(N)=O)S[C@H]12 ZINC000027418713 EA Annotated Anodyne C=Cc1ccccc1CN(C)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC000271773336 EA Annotated Anodyne C=Cc1ccccc1CN(C)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC000271773338 EA Annotated Anodyne C=Cc1ccccc1CN(C)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC000271773340 EA Annotated Anodyne N[C@@H](CCC(=O)N1C(=O)SC[C@H]1C(=O)NCC(=O)O)C(=O)O ZINC000027524916 EA Annotated Anodyne COC(=O)[C@@H](O)NC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027632635 EA Annotated Reactive COC(=O)[C@H](O)NC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027632641 EA Annotated Reactive COC(=O)[C@@H](C)NC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027634739 EA Annotated Reactive COC(=O)[C@H](C)NC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000027634745 EA Annotated Reactive NC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@H]1C[C@@H](N)CN1 ZINC000027764307 EA Annotated Mild NC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@H]1C[C@H](N)CN1 ZINC000027767412 EA Annotated Mild NC(=O)c1cc(NC(=O)c2nnn[nH]2)cc(NC(=O)c2nnn[nH]2)c1 ZINC000027862818 EA Annotated Anodyne O=C(NO)C(=O)NCC[C@@H](NC(=O)C(=O)NO)C1CCCCC1 ZINC000028006542 EA Annotated Bother O=C(NO)C(=O)NCC[C@H](NC(=O)C(=O)NO)C1CCCCC1 ZINC000028006545 EA Annotated Bother CO[C@@H]1C[C@H]2CO[C@H]([C@H]2N[C@@H]2C[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000028364971 EA Annotated Anodyne CO[C@@H]1C[C@@H]2CO[C@@H]([C@H]2N[C@@H]2C[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O ZINC000028364976 EA Annotated Anodyne CC(=O)N[C@H](C(=O)N1CC=C[C@H]1C(N)=O)[C@@H](C)OP(=O)(O)O ZINC000028457312 EA Annotated Anodyne NC(=O)OCCNC(=O)CNC(=O)OC[C@@H](N)CCCN=C(N)N ZINC000028525647 EA Annotated Mild O=c1c(Br)cc2nnn3c2n1[C@@H]1O[C@H](C3)[C@@H](O)[C@H]1O ZINC000028528697 EA Annotated Anodyne N[C@H]1C[C@@H](N)CN(c2nc(Cl)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000028604392 EA Annotated Anodyne CNc1nc(N2C[C@@H](N)C[C@@H](N)C2)nc(N2C[C@@H](N)C[C@@H](N)C2)n1 ZINC000028604395 EA Annotated Anodyne NNc1nc(N2C[C@@H](N)C[C@@H](N)C2)nc(N2C[C@@H](N)C[C@@H](N)C2)n1 ZINC000028604396 EA Annotated Anodyne CCOC(=O)CN1CCN(CC(=O)OCC)[C@H]2C(O)=NC(=O)[C@H]21 ZINC000028759847 EA Annotated Anodyne O=c1[nH]c(=O)n([C@@H]2S[C@@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762669 EA Annotated Anodyne O=c1[nH]c(=O)n([C@@H]2S[C@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762671 EA Annotated Anodyne O=c1[nH]c(=O)n([C@H]2S[C@@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762673 EA Annotated Anodyne O=c1[nH]c(=O)n([C@H]2S[C@H](O)[C@@H](O)[C@@H]2O)cc1Br ZINC000028762674 EA Annotated Anodyne C[C@H](NC(=O)CN1CCCNCCNCCCNCC1)C(=O)O ZINC000029042888 EA Annotated Anodyne O=C(O)CNCCN1CCN(CC(=O)O)CCN(CC(=O)O)CC1 ZINC000029053163 EA Annotated Anodyne C[C@@H](Cn1cnc2nc(N)nc(N=C(N)N)c21)OCP(=O)(O)O ZINC000029123598 EA Annotated Mild C[C@H](Cn1cnc2nc(N)nc(N=C(N)N)c21)OCP(=O)(O)O ZINC000029123651 EA Annotated Mild CCOC(=O)CNC(=O)c1ncn2c(=O)n(CCCl)nnc12 ZINC000029204512 EA Annotated Reactive COC[C@H]1O[C@@H](n2nnc3c(=O)nc(N)[nH]c32)[C@H](OC)[C@@H]1OC ZINC000029245488 EA Annotated Anodyne Nc1nc(=O)n(COC(CO)CO)cc1I ZINC000029307166 EA Annotated Anodyne NC(=O)[C@@H]1O[C@@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029310388 EA Annotated Anodyne NC(=O)[C@H]1O[C@@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029310394 EA Annotated Anodyne NC(=O)[C@@H]1O[C@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029310400 EA Annotated Anodyne NC(=O)[C@H]1O[C@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000029310405 EA Annotated Anodyne COC(=O)C1(NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)CCCC1 ZINC000029319949 EA Annotated Anodyne CCN1C[C@@H](C(=O)N/N=C(\N)N=C(N)N)C(=O)c2cc(OC)ccc21 ZINC000029545848 EA Annotated Reactive CCN1C[C@H](C(=O)N/N=C(\N)N=C(N)N)C(=O)c2cc(OC)ccc21 ZINC000029545851 EA Annotated Reactive O=c1nc(O)c(Br)cn1[C@@H]1S[C@H](O)[C@H](O)[C@@H]1O ZINC000299808572 EA Annotated Anodyne O=c1nc(O)c(Br)cn1[C@@H]1S[C@H](O)[C@@H](O)[C@H]1O ZINC000299808573 EA Annotated Anodyne C[C@H](N)CC[C@H](N)CC(=O)N(C)[C@H]1CN=C(NC(N)=O)NC1=O ZINC000299809491 EA Annotated Anodyne C[C@H](N)CC[C@@H](N)CC(=O)N(C)[C@H]1CN=C(NC(N)=O)NC1=O ZINC000299809492 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1[C@@H]2[C@H](C(=O)O)[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]1C(=O)O ZINC000299810136 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1[C@@H](C(=O)O)[C@@H]3C(=O)NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]12 ZINC000299810137 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@H]1[C@@H](C(=O)O)[C@@H]3C(=O)NC(=O)[C@H]3[C@H](C(=O)O)[C@H]12 ZINC000299810138 EA Annotated Anodyne O=C1NC(=O)[C@H]2[C@@H]1[C@@H]1[C@@H]2[C@@H](C(=O)O)[C@@H]2C(=O)NC(=O)[C@H]2[C@@H]1C(=O)O ZINC000299810139 EA Annotated Anodyne Cn1c(=O)n2n(c1=O)[C@H]1C(=CC2)[C@H]2C=C[C@H]1n1c(=O)n(C)c(=O)n12 ZINC000299816849 EA Annotated Anodyne O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000299821220 EA Annotated Anodyne N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1N[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000299841120 EA Annotated Anodyne CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2NC1=O ZINC000299847644 EA Annotated Mild CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2NC1=O ZINC000299847645 EA Annotated Mild O=C(N/N=C\[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccncc1 ZINC000299851219 EA Annotated Reactive C[C@@]1(CCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NC1=O ZINC000299854090 EA Annotated Anodyne C[C@@]1(CCO[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NC1=O ZINC000299854091 EA Annotated Anodyne C[C@]1(CCO[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NC1=O ZINC000299854092 EA Annotated Anodyne C[C@]1(CCO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)NC1=O ZINC000299854093 EA Annotated Anodyne CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030160141 EA Annotated Mild in-vitro OC[C@H]1O[C@@](O)(CO[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000030724215 EA Annotated Anodyne in-vitro O=C(O)[C@@H](O)CCN[C@H](C(=O)O)[C@@H](O)CN1C[C@H](O)[C@H]1C(=O)O ZINC000030729353 EA Annotated Anodyne in-man N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000030729440 EA Annotated Mild in-vitro N[C@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000030729444 EA Annotated Mild in-vitro N[C@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000030729449 EA Annotated Mild in-vitro OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000031414983 EA Annotated Anodyne O=Cc1cn([C@@H]2O[C@H]3[C@@H](O[C@H](C(=O)O)[C@@H](O)[C@H]3O)[C@H]2O)c(=O)[nH]1 ZINC000031544675 EA Annotated Anodyne in-vitro COc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829733 EA Annotated Anodyne COc1nc2c(nc(N)n2[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829734 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000031829737 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829740 EA Annotated Anodyne CSc1nc2c(nc(N)n2[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C ZINC000031829741 EA Annotated Anodyne Cc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1 ZINC000031871629 EA Annotated Mild O=c1nc(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[nH]c2ccccc12 ZINC000031895030 EA Annotated Mild Cn1c(=O)n2n(c1=O)[C@@H]1C(=CC2)[C@H]2C=C[C@@H]1n1c(=O)n(C)c(=O)n12 ZINC000031895953 EA Annotated Anodyne C[C@@](O)(P(=O)(O)O)[P@](=O)(O)OC[C@@H](O)CN1CCOCC1 ZINC000031898475 EA Annotated Anodyne CNc1ncnc2c1cnn2Cc1cn(COC[C@@H](O)CO)nn1 ZINC000031904958 EA Annotated Anodyne COc1ncnc2c1cnn2Cc1cn(COC[C@@H](O)CO)nn1 ZINC000031904960 EA Annotated Anodyne O=C(O)[C@@H]1O[C@H](Sc2ncnc3nc[nH]c23)[C@H](O)[C@@H](O)[C@H]1O ZINC000031961124 EA Annotated Anodyne O=C(O)[C@@H]1O[C@H](Sc2ncnc3nc[nH]c23)[C@H](O)[C@H](O)[C@H]1O ZINC000031961126 EA Annotated Anodyne O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO ZINC000031976997 EA Annotated Mild O=C(CC1CCCCC1)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO ZINC000032304115 EA Annotated Anodyne Nc1nc2c(c(=O)[nH]1)N=C([C@@H](O)[C@@H](O)COP(=O)(O)O)CN2 ZINC000032790959 EA Annotated Anodyne NC1=NC(=O)C2=N[C@H](C(=O)[C@@H]3O[P@](=O)(O)OC[C@@H]3O)CNC2=N1 ZINC000032841050 EA Annotated Anodyne in-man endogenous NC1=NC(=O)C2=N[C@H](C(=O)[C@H]3O[P@](=O)(O)OC[C@@H]3O)CNC2=N1 ZINC000032841051 EA Annotated Anodyne in-man endogenous CN[C@@H]1[C@@H](OC)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H]1O ZINC000033821039 EA Annotated Anodyne in-vitro NCCCC[C@H](C(=O)O)N(CCN)C(=O)Cn1ccc(N)nc1=O ZINC000033821243 EA Annotated Anodyne C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)/C(=C\C=O)CCO2 ZINC000033821291 EA Annotated Reactive CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C[C@@H](O)[C@]3(O)O[C@H]12 ZINC000033902970 EA Annotated Anodyne O=C(CO[C@@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000033903615 EA Annotated Anodyne O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO ZINC000034005823 EA Annotated Mild C[C@H]1C[C@H](O)[C@]2(O)[C@]13C[C@H](OC(=O)[C@H]3O)[C@@](C)(O)[C@]21COC1=O ZINC000034093478 EA Annotated Anodyne O=C(O)[C@@H](O)CCN[C@H](C(=O)O)[C@@H](O)CN1C[C@H](O)[C@@H]1C(=O)O ZINC000034142465 EA Annotated Anodyne in-man O=C(O)[C@@H](O)CCN[C@H](C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000034142466 EA Annotated Anodyne in-man C[C@H]1O[C@@H](n2cnc3c(S(N)(=O)=O)nc(N)nc32)[C@H](O)[C@@H]1O ZINC000034306922 EA Annotated Anodyne C[C@@H]1C(=O)C[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@@]1(O)C(=O)OC[C@]12C ZINC000034319683 EA Annotated Anodyne in-vitro biogenic CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034470340 EA Annotated Anodyne CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000034512985 EA Annotated Anodyne O[C@H]1[C@@H](O)[C@@H](O)[C@H](COC[C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)O[C@H]1O ZINC000034646900 EA Annotated Anodyne CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(O)C3=O)N1C[C@@H]1N[C@@H]12 ZINC000034649259 EA Annotated Mild in-vitro NCC(=O)N1CCC[C@]12CCN([C@@H](CCC(=O)O)C(=O)O)C2=O ZINC000034789401 EA Annotated Anodyne NC(=O)[C@H]1NCC[C@@H]1NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-] ZINC000034947221 EA Annotated Mild O=P(O)(O)C(NC[C@H](O)CN1CCOCC1)P(=O)(O)O ZINC000003597154 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@H]([C@@H](C)N)CC[C@@H]2N)[C@H](N)[C@H](O)[C@@H]1OC ZINC000003830242 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)[C@H](O)[C@@H]1OC ZINC000003830243 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](C)N)CC[C@@H]2N)[C@H](N)[C@H](O)[C@@H]1OC ZINC000003830244 EA Annotated Anodyne CN1CCC[C@H]1c1ccc[n+]([C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)c1 ZINC000003869570 EA Annotated Anodyne in-vitro biogenic Nc1nc(=O)c2c([nH]1)NCC([C@H](O)[C@@H](O)COP(=O)(O)O)=N2 ZINC000003869866 EA Annotated Anodyne CS(=O)(=O)N(CCCl)N(S(C)(=O)=O)S(C)(=O)=O ZINC000003914976 EA Annotated Reactive C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 ZINC000003979750 EA Annotated Anodyne NC(=O)[C@H]1NCC[C@H]1NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-] ZINC000035064499 EA Annotated Mild CS(=O)(=O)CSCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000035070256 EA Annotated Anodyne CC(C)CC(=O)OC[C@H]1O[C@@H](OC(CO)CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000035086677 EA Annotated Anodyne NC(=O)C[C@H](N)c1cn([C@@H](CC(N)=O)C(=O)N2CCNCC2)nn1 ZINC000036386745 EA Annotated Anodyne C[C@@H](O)[C@@H](C(=O)N1CCNCC1)n1cc([C@@H](N)CCCCN)nn1 ZINC000036386753 EA Annotated Anodyne C[C@@H](O)[C@H](C(=O)N1CCNCC1)n1cc([C@@H](N)CCCCN)nn1 ZINC000036386754 EA Annotated Anodyne OC[C@@H](O)[C@@H]1O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@H](O)[C@H]1O ZINC000036433917 EA Annotated Anodyne CC1=C[C@@H]2[C@@]3(O[C@H]([C@H]4CC(=O)C[C@@H](C)[C@]24O)[C@@](O)(CO)[C@H]3O)[C@H]1O ZINC000036452808 EA Annotated Anodyne COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N/[C@@H](C(=O)O)[C@H](C)O ZINC000038190829 EA Annotated Mild in-vitro OC/C=C/C#CC#C[C@@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000038442351 EA Annotated Mild C/C=C/C(O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)=C1\C(=O)OC[C@@H]1CO ZINC000038483485 EA Annotated Anodyne C[C@@H](O)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)C(C)(C)O ZINC000038847199 EA Annotated Bother CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@]2(O)C(C)C)[C@]2(O)[C@H](O)C=C(CO)[C@]12C ZINC000038859208 EA Annotated Anodyne O=C(O[C@H]1[C@H]([C@H](O)C(=O)O)OC(=O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000038962278 EA Annotated Clean in-vitro biogenic CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000039028938 EA Annotated Anodyne O=C(N[C@@H](CO)C(=O)O)c1nccnc1C(=O)N[C@@H](CO)C(=O)O ZINC000039051091 EA Annotated Anodyne O=C(O[C@H]1C(=O)O[C@@H]([C@H](O)C(=O)O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000039051401 EA Annotated Clean in-man C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O)[C@H](O)[C@H]1O ZINC000039177780 EA Annotated Mild C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@H](O)[C@H](O)[C@H]1O ZINC000039177781 EA Annotated Mild C=C[C@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O)[C@H](O)[C@H]1O ZINC000039177782 EA Annotated Mild C=C[C@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@H](O)[C@H](O)[C@H]1O ZINC000039177783 EA Annotated Mild OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000004095709 EA Annotated Anodyne in-vitro OC[C@H]1O[C@](O)(COC[C@H]2O[C@](O)(CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O ZINC000004096232 EA Annotated Anodyne in-vitro OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O ZINC000004096699 EA Annotated Anodyne in-man endogenous O=C1[C@@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O ZINC000004096876 EA Annotated Anodyne in-vitro Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@H](O)COP(=O)(O)O)CN2 ZINC000004096962 EA Annotated Anodyne in-man endogenous Nc1nc2c(c(=O)[nH]1)N=C([C@@H](O)[C@H](O)COP(=O)(O)O)CN2 ZINC000004096963 EA Annotated Anodyne CC(C)[C@H](N)C(=O)N[C@@H](C(=O)O)[C@H](O)C[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000004097231 EA Annotated Anodyne in-vitro C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097558 EA Annotated Mild in-vitro CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000004097568 EA Annotated Mild in-vitro C[C@@H]1C[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]21COC1=O ZINC000004097990 EA Annotated Anodyne in-vitro biogenic CCN1C(=O)N[C@@H]2[C@@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000004110947 EA Annotated Anodyne CCN1C(=O)N[C@@H]2[C@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000004110948 EA Annotated Anodyne CCN1C(=O)N[C@H]2[C@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O ZINC000004110949 EA Annotated Anodyne O[C@@H]1[C@H](CO[C@@H](O)C(Cl)(Cl)Cl)O[C@H](O)[C@H](O)[C@H]1O ZINC000004211917 EA Annotated Anodyne Cn1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(=O)n(C)c1=O ZINC000004337663 EA Annotated Anodyne C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040164511 EA Annotated Mild in-man C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040164512 EA Annotated Mild in-man C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040164513 EA Annotated Mild in-man C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040164514 EA Annotated Mild in-man Nc1nc(=O)c2c([nH]1)=NC[C@@H](C(=O)[C@H]1O[P@@](=O)(O)OC[C@H]1O)N=2 ZINC000040165419 EA Annotated Anodyne in-man Nc1nc(=O)c2c([nH]1)=NC[C@@H](C(=O)[C@@H]1O[P@@](=O)(O)OC[C@H]1O)N=2 ZINC000040165420 EA Annotated Anodyne in-man C#CCCC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO ZINC000040393444 EA Annotated Mild CNC(=O)c1nc(C(C)(C)NC(=O)C(=O)N(C)C)n(C)c(=O)c1O ZINC000040422194 EA Annotated Anodyne CC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 ZINC000040428711 EA Annotated Anodyne CC1(C)O[C@H]2[C@H](O1)[C@@H](C/N=C(\N)N=C(N)N)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000040441867 EA Annotated Mild CC1(C)O[C@H]2[C@H](O1)[C@H](C/N=C(\N)N=C(N)N)O[C@@H]1OC(C)(C)O[C@H]21 ZINC000040441868 EA Annotated Mild CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2C/N=C(\N)N=C(N)N ZINC000040441869 EA Annotated Mild C[C@H]1O[C@@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040442001 EA Annotated Anodyne C[C@@H]1O[C@@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000040442003 EA Annotated Anodyne C[C@H]1O[C@@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040442005 EA Annotated Anodyne C[C@@H]1O[C@@H](S[C@@H]2C[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000040442007 EA Annotated Anodyne N#CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)CN2C1 ZINC000040475186 EA Annotated Reactive N[C@H]1C[C@@H](N)CN(c2nc(NO)nc(N3C[C@@H](N)C[C@@H](N)C3)n2)C1 ZINC000040576578 EA Annotated Anodyne NC(=O)[C@@H]1O[C@H](Sc2ncnc3nc[nH]c23)[C@H](O)[C@H](O)[C@@H]1O ZINC000040723622 EA Annotated Anodyne CO[C@@H]1C[C@@H]2CO[C@@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000040743139 EA Annotated Anodyne CO[C@@H]1C[C@H]2CO[C@H]([C@H]2N[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O ZINC000040743141 EA Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O)CO)[C@H](O)[C@H](O)[C@H]1O ZINC000040754019 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000040861207 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000040861209 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000040861211 EA Annotated Anodyne O=[S@]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H](O)C[C@@H](O)[C@@H](O)[C@@H](O)C1 ZINC000040861213 EA Annotated Anodyne CCOC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO ZINC000040873066 EA Annotated Anodyne OC[C@@H]1O[C@H](O)[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000040892296 EA Annotated Anodyne NC(=O)N1Cc2c(cc3c(c2O)OCO3)C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]21 ZINC000040897314 EA Annotated Clean C[C@@H]1C[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@H]3O)[C@](C)(O)[C@@]21COC1=O ZINC000040933353 EA Annotated Anodyne CC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1 ZINC000040934534 EA Annotated Mild C=CC[S@@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O ZINC000040980529 EA Annotated Mild in-man C[C@H](Cn1ncnn1)n1nnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000043203527 EA Annotated Bother COC1=CC(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000043328062 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@H]3N[C@H]3CN21 ZINC000043664457 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000043676504 EA Annotated Mild COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)N3C ZINC000043706701 EA Annotated Mild COC1=CC(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21 ZINC000043834354 EA Annotated Mild C[C@](O)(P(=O)(O)O)[P@@](=O)(O)OC[C@H](O)CN1CCOCC1 ZINC000004742309 EA Annotated Anodyne OCCOCn1cnc2cnc(N[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)nc21 ZINC000045209885 EA Annotated Anodyne Cn1cc(NC(=O)c2cnn3ccc(=NCCN)[nH]c23)c(C(N)=O)n1 ZINC000473108522 EA Annotated Anodyne CN(C)CCCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O ZINC000473111813 EA Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@@H]1CCNC1 ZINC000473112909 EA Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNC[C@H]1CCNC1 ZINC000473112922 EA Annotated Reactive CC(=O)NCCCNC[C@H](O)C[C@@H](N)CC(=O)NN(C)CC(=O)O ZINC000473113794 EA Annotated Reactive CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCCCNC(=N)N ZINC000473120625 EA Annotated Reactive [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N[C@H]3C[C@@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134117 EA Annotated Clean [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N[C@@H]3C[C@@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134118 EA Annotated Clean [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N[C@H]3C[C@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134119 EA Annotated Clean [N-]=[N+]=N[C@]1(CO)O[C@@H](n2ccc(=N[C@@H]3C[C@H]3O)nc2O)[C@@H](F)[C@@H]1O ZINC000473134120 EA Annotated Clean CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H](O)CNCc1ccccn1 ZINC000473135229 EA Annotated Reactive N=C(NO)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1/C(N)=N/O ZINC000049017088 EA Annotated Mild N=C(NO)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1/C(N)=N/O ZINC000049017091 EA Annotated Mild C[C@H](O)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O ZINC000049019801 EA Annotated Anodyne C[C@@H](O)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O ZINC000049019805 EA Annotated Anodyne N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(N)=O)CC1 ZINC000049033725 EA Annotated Mild CC(C)(O)[C@H]1CC=C(C(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)CC1 ZINC000049052843 EA Annotated Anodyne C[C@@H](O)[C@H]1O[C@@H](n2cc(C(=N)NO)c3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000049089298 EA Annotated Anodyne C[C@@H](O)[C@H]1O[C@H](n2cc(C(=N)NO)c3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000049089299 EA Annotated Anodyne C[C@H](O)[C@H]1O[C@@H](n2cc(C(=N)NO)c3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000049089393 EA Annotated Anodyne C[C@H](O)[C@H]1O[C@H](n2cc(C(=N)NO)c3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O ZINC000049089394 EA Annotated Anodyne CN1CCN(CCC(=O)NC2C=CC(S(N)(=O)=O)C=C2)CC1 ZINC000049089401 EA Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771455 EA Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771456 EA Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771457 EA Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSC(F)F)[C@@H](O)[C@H]1O ZINC000049771458 EA Annotated Anodyne C[C@]1(CO)O[C@@H](n2c(=O)sc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O ZINC000049792642 EA Annotated Anodyne C[C@]1(CO)O[C@H](n2c(=O)sc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O ZINC000049792643 EA Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@H]1O[C@H](CSCC(F)F)[C@@H](O)[C@H]1O ZINC000049793056 EA Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@H]1O[C@H](CSCC(F)F)[C@@H](O)[C@H]1O ZINC000049793057 EA Annotated Anodyne NC1=NCN=C2[C@@H]1N=CN2[C@@H]1O[C@H](CSCC(F)F)[C@@H](O)[C@H]1O ZINC000049793058 EA Annotated Anodyne NC1=NCN=C2[C@H]1N=CN2[C@@H]1O[C@H](CSCC(F)F)[C@@H](O)[C@H]1O ZINC000049793059 EA Annotated Anodyne COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@H](O)[C@](C)(O)[C@H]1O ZINC000005179527 EA Annotated Mild COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@H](O)[C@H](O)[C@](C)(O)[C@H]1O ZINC000005179528 EA Annotated Mild O=C(O)[C@@H]1O[C@H](Sc2[nH]cnc3ncnc2-3)[C@H](O)[C@H](O)[C@@H]1O ZINC000005479101 EA Annotated Anodyne Nc1nc(O)c2nc3n(c2n1)[C@H]1C[C@H](O)[C@H](O1)[C@@H]3OP(=O)(O)O ZINC000535385417 EA Annotated Anodyne C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005742754 EA Annotated Mild in-man C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000005742756 EA Annotated Mild in-man NN1C(=O)[C@H](CCO)S/C1=N/N=C1/S[C@H](CCO)C(=O)N1N ZINC000005811455 EA Annotated Mild NN1C(=O)[C@H](CCO)S/C1=N/N=C1/S[C@@H](CCO)C(=O)N1N ZINC000005811456 EA Annotated Mild NN1C(=O)[C@@H](CCO)S/C1=N/N=C1/S[C@H](CCO)C(=O)N1N ZINC000005811458 EA Annotated Mild O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccccc1 ZINC000005832168 EA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000005832182 EA Annotated Mild Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1 ZINC000005832195 EA Annotated Mild Cn1c(=O)n2n(c1=O)[C@@H]1C(=CC2)[C@@H]2C=C[C@H]1n1c(=O)n(C)c(=O)n12 ZINC000005848573 EA Annotated Anodyne Cn1c(=O)c2c(nc3n(C[C@@H](O)CCl)c(=O)ccn23)n(C)c1=O ZINC000005893188 EA Annotated Reactive O=C(O)CN1C(=O)c2ccc(NC(=O)C(=O)O)cc2S1(=O)=O ZINC000005924108 EA Annotated Anodyne CNC[C@@H]1CC[C@@H](N)[C@H](O[C@H]2[C@@H](O)[C@@H](NC)[C@@H](OC)C[C@H]2N)O1 ZINC000005996400 EA Annotated Anodyne in-vitro CNC[C@H]1CC[C@H](N)[C@H](O[C@H]2[C@@H](O)[C@@H](NC)[C@@H](OC)C[C@H]2N)O1 ZINC000005996435 EA Annotated Anodyne in-vitro CNC[C@H]1CC[C@@H](N)[C@H](O[C@H]2[C@@H](O)[C@@H](NC)[C@@H](OC)C[C@H]2N)O1 ZINC000005996437 EA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](NC)[C@H]2O)O1 ZINC000056874750 EA Annotated Anodyne in-vitro CN[C@H]1[C@H](O)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H]1O ZINC000056874858 EA Annotated Anodyne in-vitro CN[C@H]1[C@H](OC)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H]1O ZINC000056874859 EA Annotated Anodyne in-vitro CN[C@H]1[C@@H](OC)[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H]1O ZINC000056874861 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H](OC)[C@@H](O)[C@@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H]1O ZINC000056874862 EA Annotated Anodyne in-vitro CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@H](N)C[C@H](OC)[C@@H](NC)[C@H]2O)O1 ZINC000056874884 EA Annotated Anodyne in-vitro CCNC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@H](OC)[C@@H](NC)[C@H]2O)O1 ZINC000056874889 EA Annotated Anodyne in-vitro O=C1O[C@@H]2[C@H](O)CO[C@]23O[C@]24OC[C@H](O)[C@@H]2OC(=O)[C@]4(O)O[C@]13O ZINC000584879806 EA Annotated Anodyne O=C1O[C@@H]2[C@H](O)CO[C@]23O[C@]24OC[C@H](O)[C@@H]2OC(=O)[C@]4(O)O[C@@]13O ZINC000584879807 EA Annotated Anodyne O=C1O[C@@H]2[C@H](O)CO[C@]23O[C@]24OC[C@H](O)[C@@H]2OC(=O)[C@@]4(O)O[C@]13O ZINC000584879808 EA Annotated Anodyne O=C1O[C@H]2[C@@H](O)CO[C@@]23O[C@@]24OC[C@@H](O)[C@H]2OC(=O)[C@]4(O)O[C@]13O ZINC000584879809 EA Annotated Anodyne O=S(=O)(O)O[C@H]1[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](O)O[C@@H]1CO ZINC000584904793 EA Annotated Anodyne O=c1[nH]c(=O)n([C@@H]2S[C@H](O)[C@H](O)[C@H]2O)cc1Br ZINC000058500493 EA Annotated Anodyne CCCc1cn([C@@H]2O[C@@H]3CO[PH](O)(O)O[C@H]3[C@H]2O)c(=O)nc1N ZINC000058547897 EA Annotated Anodyne Nc1nc(=O)n([C@@H]2O[C@@H]3CO[PH](O)(O)O[C@H]3[C@H]2O)cc1Cl ZINC000058548334 EA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncnc2[nH]1)C(=O)O ZINC000587219697 EA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncnc2[nH]1)C(=O)O ZINC000587219698 EA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cncnc2[nH]1)C(=O)O ZINC000587219699 EA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cncnc2[nH]1)C(=O)O ZINC000587219700 EA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ncc[nH]c-2n1)C(=O)O ZINC000587223918 EA Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ncc[nH]c-2n1)C(=O)O ZINC000587223920 EA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ncc[nH]c-2n1)C(=O)O ZINC000587223922 EA Annotated Anodyne N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ncc[nH]c-2n1)C(=O)O ZINC000587223924 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403418 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587403426 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587403427 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403429 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403432 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403435 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403437 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587403439 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587403441 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403443 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587403444 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403446 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403448 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587403450 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587403452 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403453 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587403454 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403455 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587403456 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587403457 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)O2 ZINC000587403601 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)O2 ZINC000587403606 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404111 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404112 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587404831 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587404832 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587404833 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587404834 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587404835 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587404836 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)O2 ZINC000587404837 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587404838 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)O2 ZINC000587404839 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404840 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404841 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)O2 ZINC000587404842 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404856 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587404857 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000587405306 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O ZINC000587405312 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)O2 ZINC000587405797 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)C(=O)O)O2 ZINC000587405798 EA Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587405922 EA Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)O2 ZINC000587405925 EA Annotated Mild COc1cc2c3c(c1)O[C@@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587447943 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H](C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587447947 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C2)C3=O ZINC000587448229 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C2)C3=O ZINC000587448230 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)[C@@H](C2)C3=O ZINC000587449490 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)[C@@H](C2)C3=O ZINC000587449501 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)O[C@H]([C@H](O)CO)[C@@H]1O)[C@@H](C2)C3=O ZINC000587450220 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O)[C@@H](C2)C3=O ZINC000587450221 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)O[C@H]([C@H](O)CO)[C@@H]1O)[C@@H](C2)C3=O ZINC000587450222 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)O[C@H]([C@@H](O)CO)[C@H]1O)[C@@H](C2)C3=O ZINC000587450223 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)O[C@H]([C@@H](O)CO)[C@@H]1O)[C@@H](C2)C3=O ZINC000587450225 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)O[C@H]([C@@H](O)CO)[C@H]1O)[C@@H](C2)C3=O ZINC000587450228 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)O[C@H]([C@H](O)CO)[C@H]1O)[C@@H](C2)C3=O ZINC000587450231 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)O[C@H]([C@H](O)CO)[C@H]1O)[C@@H](C2)C3=O ZINC000587450234 EA Annotated Anodyne COc1cc2c3c(c1)OC1(C(=O)[C@H](O)C(=O)[C@@H](O)C1=O)[C@@H](C2)C3=O ZINC000587452402 EA Annotated Anodyne COc1cc2c3c(c1)OC1(C(=O)[C@@H](O)C(=O)[C@H](O)C1=O)[C@@H](C2)C3=O ZINC000587452409 EA Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](O)C(=O)[C@@H](O)C1=O)[C@@H](C2)C3=O ZINC000587452411 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587455322 EA Annotated Mild COc1cc2c3c(c1)O[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587455325 EA Annotated Mild COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456013 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456014 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456015 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456016 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456017 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456018 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456019 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456020 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456021 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456022 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456023 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456024 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456025 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456026 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456103 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456105 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456107 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456109 EA Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456111 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456113 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456692 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456697 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456698 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456702 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456704 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456705 EA Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456706 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456708 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456710 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456711 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](C2)C3=O ZINC000587456714 EA Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)([C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H](C2)C3=O ZINC000587456715 EA Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@H](O)c1c[nH]c(-c2ccc3c(O)nc(O)nc3n2)n1 ZINC000587555572 EA Annotated Anodyne NNC(=O)[C@H](O)[C@H](O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652290 EA Annotated Reactive NNC(=O)[C@@H](O)[C@@H](O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652294 EA Annotated Reactive NNC(=O)[C@@H](O)[C@H](O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652295 EA Annotated Reactive NNC(=O)[C@H](O)[C@@H](O)C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587652297 EA Annotated Reactive OC[C@@H]1O[C@](CO)(OC[C@@]2(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000059065548 EA Annotated Anodyne in-vitro C[C@H](Cn1cnnn1)n1nnc2cc3c(=O)n(C)nnc3cc2c1=O ZINC000059185530 EA Annotated Bother COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(O)[C@H]3N[C@H]3CN21 ZINC000059199342 EA Annotated Mild O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)O ZINC000059207069 EA Annotated Mild in-vitro O=C1[C@@H](O)[C@@H](O[C@@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H]1O ZINC000059211737 EA Annotated Anodyne in-vitro O=C(OC[C@@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000059589238 EA Annotated Clean in-vitro biogenic CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(OC)[C@]3(O)O[C@H]12 ZINC000006030584 EA Annotated Anodyne in-vitro C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)/C(=C/C=O)CCO2 ZINC000006499688 EA Annotated Reactive COC(=O)C[C@H](NC(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)OC ZINC000061936451 EA Annotated Anodyne CCNC(=O)N(C)C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000061947174 EA Annotated Anodyne CC[C@@]1(C(=O)OC)N[C@H](CN(C)C(C)=O)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000061947212 EA Annotated Anodyne CCN(C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12)C(C)=O ZINC000061947224 EA Annotated Anodyne COCC(=O)N(C)C[C@H]1N[C@@](C)(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@@H]12 ZINC000061947237 EA Annotated Anodyne O=C(NS(=O)(=O)N1CCOCC1)C1=C(N2CCCC2)COC1=O ZINC000061949589 EA Annotated Anodyne CC[C@H](CO)NS(=O)(=O)[C@@H]1CN[C@@H]2[C@H](C1)C(=O)NC(=O)N2C ZINC000618015750 EA Annotated Anodyne CC[C@H](CO)NS(=O)(=O)[C@@H]1CN[C@@H]2[C@@H](C1)C(=O)NC(=O)N2C ZINC000618015764 EA Annotated Anodyne CC[C@H](CO)NS(=O)(=O)[C@@H]1CN[C@H]2[C@@H](C1)C(=O)NC(=O)N2C ZINC000618015765 EA Annotated Anodyne CC[C@H](CO)NS(=O)(=O)[C@@H]1CN[C@H]2[C@H](C1)C(=O)NC(=O)N2C ZINC000618015766 EA Annotated Anodyne CCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@H]1N1CCN(C(C)=O)CC1 ZINC000618016330 EA Annotated Anodyne CCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@@H]1N1CCN(C(C)=O)CC1 ZINC000618016331 EA Annotated Anodyne CCCN1[C@@H]2C(=O)NC(=O)N(C)[C@H]2N[C@H]1N1CCN(C(C)=O)CC1 ZINC000618016332 EA Annotated Anodyne CCCN1[C@@H]2C(=O)NC(=O)N(C)[C@@H]2N[C@@H]1N1CCN(C(C)=O)CC1 ZINC000618016333 EA Annotated Anodyne CNC(=O)CN1CC[C@@H](NC(=O)CSc2nncc(O)n2)C1 ZINC000621430368 EA Annotated Anodyne NS(=O)(=O)c1cnccc1-n1ccc(=O)c(S(N)(=O)=O)c1 ZINC000064479785 EA Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]2N1Cc1cccnc1 ZINC000064596862 EA Annotated Anodyne N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)[C@H](O)CO ZINC000064622618 EA Annotated Mild in-vitro N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)[C@H](O)CO ZINC000064624874 EA Annotated Mild in-vitro Nc1nc2c(c(=O)[nH]1)N[C@H]1C(=O)[C@@H]3O[P@](=O)(O)OC[C@H]3O[C@H]1N2 ZINC000064625177 EA Annotated Anodyne in-vitro CO[C@@H]1[C@H](O)O[C@@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]2O)[C@H]1O ZINC000064633748 EA Annotated Anodyne in-vitro O=CN[C@@H](CCCCNCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O ZINC000064633878 EA Annotated Anodyne in-vitro OC[C@@H](O)[C@@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ZINC000064634168 EA Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H]([C@@H](O)CO)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O ZINC000064634190 EA Annotated Anodyne in-vitro COC(=O)[C@@H]1C[C@@]2(O)[C@H](O)[C@H](O)[C@H](O)C[C@H]2N1Cc1cccnc1 ZINC000064728459 EA Annotated Anodyne O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000006505219 EA Annotated Clean in-man O=C(O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000006505220 EA Annotated Clean in-man O=C(O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000006505221 EA Annotated Clean in-man O=C(OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000006524388 EA Annotated Clean in-vitro biogenic CN(C=O)C1=C(N(C)C=O)C(N(C)C=O)=C(N(C)C=O)C(=O)C1=O ZINC000006734213 EA Annotated Mild O=C(Nc1c(F)cccc1F)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000653718477 EA Annotated Mild Cc1nc(CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(C)nc1CO ZINC000653766925 EA Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O ZINC000653771366 EA Annotated Anodyne OC[C@H]1O[C@@]2(CC(c3ccc4c(c3)OCO4)=NO2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000653788029 EA Annotated Anodyne CC(=O)N[C@H]1[C@H](Nc2ccc3nccnc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000653808772 EA Annotated Anodyne CC(=O)N[C@H]1[C@@H](Nc2ccc3nccnc3c2)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000653808773 EA Annotated Anodyne C[C@@H](O)[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](N)C[C@H]2N)[C@H](N)[C@@H](O)[C@@H]1O ZINC000653831349 EA Annotated Anodyne CN(C(=O)C[C@@H](N)CCCNC(=N)N)C1CNC(=NC(N)=O)NC1 ZINC000066075041 EA Annotated Mild CCC(=O)N[C@H]1[C@H](SC(=S)N(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000066079874 EA Annotated Anodyne CN[C@@H](CCCCN)CC(=O)N(C)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099112 EA Annotated Mild CN[C@@H](CCCCN)CC(=O)N(C)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066099114 EA Annotated Mild Nc1ccc2c(c1)C(=O)N1C[C@@]3(C[C@H]1C(=O)N2)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066102853 EA Annotated Anodyne CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2ccccc21)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066128405 EA Annotated Anodyne Nc1ccc2c(c1)C(=O)N1C[C@]3(C[C@@H]1C(=O)N2)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066128407 EA Annotated Anodyne O=C1Nc2ccccc2C(=O)N2C[C@@]3(C[C@@H]12)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066128575 EA Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2ccccc21)O[C@@H](CO)[C@H](O)[C@H]3O ZINC000066128743 EA Annotated Anodyne CN(C(=O)C[C@@H](N)C[C@@H]1CCNC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136626 EA Annotated Mild CN(C(=O)C[C@@H](N)C[C@@H]1CCNC1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066136627 EA Annotated Mild O=C1Nc2ccccc2C(=O)N2C[C@]3(C[C@H]12)O[C@H](CO)[C@@H](O)[C@@H]3O ZINC000066156618 EA Annotated Anodyne CN(C(=O)C[C@@H](N)C[C@H]1CCNC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066157135 EA Annotated Mild CN(C(=O)C[C@@H](N)C[C@H]1CCNC1)[C@H]1CN/C(=N/C(N)=O)N=C1O ZINC000066157137 EA Annotated Mild CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1n1ccc(N)nc1=O ZINC000066252117 EA Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H](O)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245043 EA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H](O)COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245046 EA Annotated Bother O=[N+]([O-])c1nccn1C[C@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245049 EA Annotated Bother O=[N+]([O-])c1nccn1C[C@@H](O)COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245051 EA Annotated Bother O=[N+]([O-])c1nccn1/C=C/COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245061 EA Annotated Bother O=[N+]([O-])c1nccn1/C=C/COC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000068245063 EA Annotated Bother C[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@](C)(O)[C@@]21COC1=O ZINC000070455176 EA Annotated Anodyne in-vitro biogenic CC(C)[C@@H](N)C(=O)N[C@@H](C(=O)O)[C@H](O)C[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000071756537 EA Annotated Anodyne in-vitro CC(C)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H](O)C[C@H]1CN2C(=O)C[C@@H]2O1 ZINC000071756543 EA Annotated Anodyne in-vitro O=C(O)C1=C/C(=C/C=[N+]2\C[C@@H](O)C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1 ZINC000071756689 EA Annotated Mild O=C(O)[C@@H](NCC[C@@H](O)C(=O)O)[C@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000071758309 EA Annotated Anodyne O=C(O)[C@@H](NCC[C@@H](O)C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000071758310 EA Annotated Anodyne in-man O=C(O)[C@@H](O)CCN[C@@H](C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@@H]1C(=O)O ZINC000071758312 EA Annotated Anodyne in-man O=C(O)[C@@H](NCC[C@@H](O)C(=O)O)[C@H](O)CN1C[C@@H](O)[C@H]1C(=O)O ZINC000071758316 EA Annotated Anodyne O=C(O)[C@@H](NCC[C@@H](O)C(=O)O)[C@H](O)CN1C[C@H](O)[C@@H]1C(=O)O ZINC000071758323 EA Annotated Anodyne O=C(O)[C@@H](NCC[C@@H](O)C(=O)O)[C@H](O)CN1C[C@H](O)[C@H]1C(=O)O ZINC000071758330 EA Annotated Anodyne N[C@H](CC1=CC2=C(N[C@@H](C(=O)O)C[C@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000071758413 EA Annotated Anodyne in-vitro N[C@H](CC1=CC2=C(N[C@@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000071758414 EA Annotated Anodyne in-vitro N[C@@H](CC1=CC2=C(N[C@@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O ZINC000071758416 EA Annotated Mild CC(=O)OCC(O)(COC(C)=O)Cc1c(C)c(=O)[nH]c(=O)n1C ZINC000072127813 EA Annotated Anodyne O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000072176094 EA Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(O)[C@@H](O)[C@@H](O)[C@H](O)C[C@H]2N1Cc1cccnc1 ZINC000072187690 EA Annotated Anodyne O=C1c2cc3c(cc2[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@]4(O)CCN1[C@@H]24)OCO3 ZINC000073169474 EA Annotated Anodyne NC(=O)c1nc(NC[C@H](O)CO)c(C(N)=O)nc1NC[C@H](O)CO ZINC000073197217 EA Annotated Anodyne Nc1nc(C(=O)NC[C@H](O)CO)c(N)nc1C(=O)NC[C@H](O)CO ZINC000073197523 EA Annotated Anodyne Nc1nc(C(=O)NC[C@@H](O)CO)c(N)nc1C(=O)NC[C@H](O)CO ZINC000073197524 EA Annotated Anodyne Nc1nc(C(=O)NC[C@@H](O)CO)c(N)nc1C(=O)NC[C@@H](O)CO ZINC000073197525 EA Annotated Anodyne CN[C@@H]1[C@H](O)[C@@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]2[C@H](NC)[C@@H]1O ZINC000007997808 EA Annotated Anodyne O=C(O)[C@@H]1CCCN1[C@H](O)C(O)(P(=O)(O)O)P(=O)(O)O ZINC000078937633 EA Annotated Anodyne in-vitro O=C(O)[C@@H]1CCCN1[C@@H](O)C(O)(P(=O)(O)O)P(=O)(O)O ZINC000078937644 EA Annotated Anodyne in-vitro CCOCCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)CCN2 ZINC000082204825 EA Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206744 EA Annotated Anodyne COC(=O)Cn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206746 EA Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)CN)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208223 EA Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)CN)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082208224 EA Annotated Anodyne NCCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210225 EA Annotated Anodyne NCCn1c(=O)c(NC(=O)CN)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210226 EA Annotated Anodyne CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]12 ZINC000083920858 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O ZINC000083920863 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O ZINC000083920864 EA Annotated Anodyne in-vitro O=Cc1cn([C@@H]2O[C@H]3[C@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]3[C@H]2O)c(=O)[nH]1 ZINC000083921218 EA Annotated Anodyne in-vitro O=Cc1cn([C@@H]2O[C@@H]3[C@@H](O[C@H](C(=O)O)[C@@H](O)[C@H]3O)[C@H]2O)c(=O)[nH]1 ZINC000083921219 EA Annotated Anodyne in-vitro O=Cc1cn([C@@H]2O[C@@H]3[C@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]3[C@H]2O)c(=O)[nH]1 ZINC000083921221 EA Annotated Anodyne in-vitro CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C=C(OC)[C@]3(O)O[C@@H]12 ZINC000083921353 EA Annotated Anodyne in-vitro CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@H]3O[C@H](C)C=C(OC)[C@]3(O)O[C@@H]12 ZINC000083921355 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@@]3(O)C(OC)=C[C@@H](C)O[C@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O ZINC000083921356 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@@]3(O)C(OC)=C[C@@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O ZINC000083921359 EA Annotated Anodyne in-vitro CO[C@@H]1CO[C@@H]2[C@H](O)[C@H](c3c[nH]c(=O)[nH]c3=O)O[C@@H]2[C@@H]1NC(N)=O ZINC000083921362 EA Annotated Anodyne in-vitro CO[C@H]1CO[C@@H]2[C@H](O)[C@H](c3c[nH]c(=O)[nH]c3=O)O[C@@H]2[C@@H]1NC(N)=O ZINC000083921364 EA Annotated Anodyne in-vitro CO[C@@H]1CO[C@H]2[C@H](O)[C@H](c3c[nH]c(=O)[nH]c3=O)O[C@@H]2[C@@H]1NC(N)=O ZINC000083921368 EA Annotated Anodyne in-vitro CO[C@H]1CO[C@H]2[C@H](O)[C@H](c3c[nH]c(=O)[nH]c3=O)O[C@@H]2[C@@H]1NC(N)=O ZINC000083921370 EA Annotated Anodyne in-vitro CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)C[C@@H](O)[C@]3(O)O[C@@H]12 ZINC000083922571 EA Annotated Anodyne in-vitro CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@H]3O[C@H](C)C[C@@H](O)[C@]3(O)O[C@@H]12 ZINC000083922572 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@]3(O)[C@H](O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O)O[C@H](C)C[C@H]3O ZINC000083922574 EA Annotated Anodyne in-vitro CN[C@@H]1[C@@H]2O[C@@]3(O)[C@H](O)C[C@@H](C)O[C@@H]3O[C@H]2[C@@H](O)[C@H](NC)[C@@H]1O ZINC000083922576 EA Annotated Anodyne in-vitro N=C(N)NC[C@@H](O)C[C@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O ZINC000083922670 EA Annotated Anodyne in-vitro N=C(N)NC[C@@H](O)C[C@@H](NCCN[C@H](CC(=O)O)C(=O)O)C(=O)O ZINC000083922675 EA Annotated Anodyne in-vitro COc1cc(O)c2c(c1)[C@H](O)[C@@H]1[C@@H](C2=O)[C@H](O)[C@@H](O)[C@@](C)(O)[C@@H]1O ZINC000084603073 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCC[S@@](=O)CC(=O)NN)c1=O ZINC000084704369 EA Annotated Reactive Cn1c(=O)n(C)c(=O)n(CCCCC[S@](=O)CC(=O)NN)c1=O ZINC000084704373 EA Annotated Reactive Cn1c(=O)n(C)c(=O)n(CCCCS(=O)(=O)CC(N)=O)c1=O ZINC000084704465 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCCS(=O)(=O)CC(N)=O)c1=O ZINC000084704469 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCCC[S@@](=O)CC(N)=O)c1=O ZINC000084705562 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCCC[S@](=O)CC(N)=O)c1=O ZINC000084705565 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCC[S@@](=O)CC(N)=O)c1=O ZINC000084706699 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCCC[S@](=O)CC(N)=O)c1=O ZINC000084706701 EA Annotated Anodyne O=C1N[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 ZINC000084707086 EA Annotated Anodyne Cn1c(=O)n(C)c(=O)n(CCCS(=O)(=O)CC(=O)NN)c1=O ZINC000084709292 EA Annotated Reactive Cn1c(=O)n(C)c(=O)n(CCCCS(=O)(=O)CC(=O)NN)c1=O ZINC000084709293 EA Annotated Reactive O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO[C@H](O)C(Cl)(Cl)Cl ZINC000084758846 EA Annotated Anodyne O[C@@H]1[C@H](CO[C@H](O)C(Cl)(Cl)Cl)O[C@H](O)[C@H](O)[C@H]1O ZINC000084758847 EA Annotated Anodyne CC1(C)[C@H]2C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O)(O)[C@H]3O)[C@]1(C)CC2=O ZINC000085487012 EA Annotated Anodyne in-vitro biogenic C[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085534442 EA Annotated Mild in-vitro biogenic C[C@@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085534443 EA Annotated Mild in-vitro biogenic C[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085534444 EA Annotated Mild in-vitro biogenic C[C@@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000085534445 EA Annotated Mild in-vitro biogenic N=C1N[C@@H]2[C@H]3[C@@H](O)[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@]34[C@@H](C(=O)O)O[C@@]24N1 ZINC000085540969 EA Annotated Anodyne in-vitro biogenic C[C@H](OS(=O)(=O)O)[C@@H]1C(=O)N2C(C(=O)O)=C([S@@](=O)O)C[C@H]12 ZINC000085552913 EA Annotated Anodyne O=C(Oc1c(CO)nc2cccc[c-]12)[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O ZINC000085569281 EA Annotated Anodyne in-vitro biogenic N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)[C@@H]1O)C(=O)O ZINC000085588151 EA Annotated Mild in-vitro N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)[C@@H]1O)C(=O)O ZINC000085588156 EA Annotated Mild in-vitro O=C1C[C@H](c2ccc(O)c(O)c2)[C@@]2(O1)C(=O)O[C@H]([C@@H](O)CO)[C@H]2O ZINC000085594587 EA Annotated Clean O=C1C[C@H](c2ccc(O)c(O)c2)[C@@]2(O1)C(=O)O[C@H]([C@@H](O)CO)[C@@H]2O ZINC000085594589 EA Annotated Clean Nc1nc2c(c(=O)[nH]1)N=C([C@H](O)[C@@H](CO)OP(=O)(O)O)CN2 ZINC000085598527 EA Annotated Anodyne in-vitro N[C@H]([C@@H](O)N(O)[C@H](O)[C@@H](N)n1ccc(=O)cc1)n1ccc(=O)cc1 ZINC000085648062 EA Annotated Anodyne CC1(C)O[C@]2(C)CC[C@@]1(O)C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085701180 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085701183 EA Annotated Anodyne in-man CC1(C)O[C@]2(C)CC[C@@]1(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000085701186 EA Annotated Anodyne in-man CC1(C)O[C@@]2(C)CC[C@]1(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@H]2O ZINC000085701189 EA Annotated Anodyne in-man CC1(C)O[C@]2(CO)CC[C@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085701210 EA Annotated Anodyne in-man CC1(C)O[C@@]2(CO)CC[C@@H]1C[C@H]2O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000085701213 EA Annotated Anodyne in-man C[N+](C)(C)[C@@H](Cc1cnc([S@@](=O)C[C@H](N)C(=O)O)[nH]1)C(=O)O ZINC000085729603 EA Annotated Mild in-vitro C[N+](C)(C)[C@@H](Cc1cnc([S@](=O)C[C@H](N)C(=O)O)[nH]1)C(=O)O ZINC000085729609 EA Annotated Mild in-vitro O=C(OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085765215 EA Annotated Clean in-man O=C(OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085765217 EA Annotated Clean in-man O=C(O[C@H]1C(=O)O[C@@H]([C@H](O)C(=O)O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795075 EA Annotated Clean in-man O=C(O[C@@H]1C(=O)O[C@@H]([C@H](O)C(=O)O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795076 EA Annotated Clean in-man O=C(O[C@@H]1C(=O)O[C@@H]([C@H](O)C(=O)O)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795079 EA Annotated Clean in-man O=C(O[C@@H]1[C@H](O)C(=O)O[C@@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085795093 EA Annotated Clean in-man O=C(O[C@@H]1[C@@H](O)C(=O)O[C@@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085795095 EA Annotated Clean in-man O=C(O[C@H]1[C@@H](O)C(=O)O[C@@H]1[C@H](O)C(=O)O)c1cc(O)c(O)c(O)c1 ZINC000085795098 EA Annotated Clean in-man O=C(O[C@H](C(=O)O)[C@H]1OC(=O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795102 EA Annotated Clean in-man O=C(O[C@H](C(=O)O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795105 EA Annotated Clean in-man O=C(O[C@@H](C(=O)O)[C@@H]1OC(=O)[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085795108 EA Annotated Clean in-man N=C1N[C@@H]2[C@@H](COC(=O)NO)N(O)C(=N)N3CCC(O)(O)[C@@]23N1 ZINC000085847766 EA Annotated Anodyne in-man biogenic O=C(OC[C@H]1O[C@@H](O)[C@@](O)(CO)[C@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085882979 EA Annotated Clean in-man O=C(OC[C@H]1O[C@@H](O)[C@@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085882982 EA Annotated Clean in-man O=C(OC[C@@H]1O[C@@H](O)[C@@](O)(CO)[C@@H]1O)c1cc(O)c(O)c(O)c1 ZINC000085882986 EA Annotated Clean in-man CC(C)[C@@]12C[C@@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000085998758 EA Annotated Anodyne in-man CC(C)[C@]12C[C@H]1[C@@](C)(O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C[C@@H]2O ZINC000085998760 EA Annotated Anodyne in-man COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@H](C)O ZINC000086034625 EA Annotated Mild in-man C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086035638 EA Annotated Mild in-man C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086035645 EA Annotated Mild in-man C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086035648 EA Annotated Mild in-man C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000086035654 EA Annotated Mild in-man OC[C@@H](O)[C@@H]1O[C@@H](OC[C@@H](O)[C@@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000087527869 EA Annotated Anodyne in-vitro OC[C@@H](O)[C@@H]1O[C@@H](OC[C@@H](O)[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000087527872 EA Annotated Anodyne in-vitro CC(=O)N[C@@H]([C@H](C)O)[C@@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@@H]1NC(C)=O ZINC000087528526 EA Annotated Anodyne in-vitro CC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(C)=O ZINC000087529056 EA Annotated Anodyne in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@H]1[C@H](NC(C)=O)[C@@H](C)O ZINC000087530005 EA Annotated Anodyne in-vitro O=C1N=C2C(=N[C@@H](CO)CN2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N1 ZINC000087530412 EA Annotated Anodyne in-vitro O=C1N=C2C(=N[C@H](CO)CN2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)N1 ZINC000087530417 EA Annotated Anodyne in-vitro CSc1nc2c(nc(N)n2[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000009703602 EA Annotated Anodyne CN(C)c1nc(N)nc(Cn2ccc(=O)c(S(N)(=O)=O)c2)n1 ZINC000095558150 EA Annotated Anodyne NS(=O)(=O)c1cn(CC(=O)NNC(=O)c2ccco2)ccc1=O ZINC000095558234 EA Annotated Reactive OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O ZINC000095620573 EA Annotated Anodyne in-man OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O ZINC000095620574 EA Annotated Anodyne in-man OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O ZINC000095620575 EA Annotated Anodyne in-man OC[C@@H]1O[C@](CO)(OC[C@@H]2O[C@H](O)C[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O ZINC000095620576 EA Annotated Anodyne in-man CN[C@@H]1[C@H](O[C@@H](C=O)[C@@](O)(C=O)[C@H](C)O)O[C@@H](CO)[C@H](O)[C@H]1O ZINC000095630279 EA Annotated Mild in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(C(=O)O)O[C@@H]1[C@H](NC(C)=O)[C@@H](C)O ZINC000095635609 EA Annotated Anodyne in-vitro NCCOC(=O)C[C@](O)(CC(=O)NCC[C@H](N)C(=O)O)C(=O)O ZINC000095635795 EA Annotated Anodyne in-vitro NCCOC(=O)C[C@@](O)(CC(=O)NCC[C@H](N)C(=O)O)C(=O)O ZINC000095635796 EA Annotated Anodyne in-vitro NCCOC(=O)C[C@](O)(CC(=O)NCC[C@@H](N)C(=O)O)C(=O)O ZINC000095635797 EA Annotated Anodyne in-vitro NCCOC(=O)C[C@@](O)(CC(=O)NCC[C@@H](N)C(=O)O)C(=O)O ZINC000095635798 EA Annotated Anodyne in-vitro CC(=O)N[C@@H]([C@H](C)O)[C@H]1O[C@](O)(C(=O)O)C[C@H](O)[C@@H]1NC(C)=O ZINC000095636127 EA Annotated Anodyne in-vitro O=C(CI)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000095661289 EA Annotated Reactive in-vitro O=C(CI)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000095661291 EA Annotated Reactive in-vitro C[C@@H]1C[C@@H](O)[C@@]2(O)[C@@]13C[C@@H](OC(=O)[C@@H]3O)[C@@]1(O)C(=O)OC[C@]12C ZINC000095753722 EA Annotated Anodyne in-vitro biogenic COC(=O)CCCCCCC(=O)N/N=C/[C@@H](O)[C@H](O)[C@H](O)CO ZINC000095809068 EA Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/[C@H](O)[C@@H](O)[C@H](O)CO ZINC000095809399 EA Annotated Reactive OC/C=C/C#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095909790 EA Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2[C@H]3[C@](C)(O)[C@@H](O)[C@H]4O[C@@]34[C@](C)(OO)C[C@@H](O)[C@@H]12 ZINC000095911309 EA Annotated Reactive in-vitro biogenic CO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000095913578 EA Annotated Anodyne in-vitro biogenic C[C@@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O ZINC000095914857 EA Annotated Anodyne in-vitro biogenic O=C(CO)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000095920519 EA Annotated Anodyne N[C@@H](CO)C(=O)OC[C@H](NC(=O)c1cccc(O)c1O)C(=O)O ZINC000095920670 EA Annotated Clean O=C(NC(=O)C1CCCCC1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095920835 EA Annotated Anodyne Cn1c[n+](CC(=O)c2ccc(O)c(C(N)=O)c2)c2nc(N)[nH]c(=O)c21 ZINC000095921274 EA Annotated Mild COC[C@H]1O[C@@H](OC)[C@H](N)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)C[C@@H]2O)[C@H]1O ZINC000096095519 EA Annotated Anodyne in-vitro CC1=C[C@@H](C[C@@H](C(=O)O)[C@@H]2CN(C[C@H](O)CCO)C(=N)N2)OC1=O ZINC000096915264 EA Annotated Anodyne CC1=C[C@@H](C[C@@H](C(=O)O)[C@@H]2CN(C[C@@H](O)CCO)C(=N)N2)OC1=O ZINC000096915265 EA Annotated Anodyne