CCC(CC)Nc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO ZINC000000007642 FD Annotated Anodyne in-vivo O=C(O)/C=C/c1cn2c3c([nH]c(=O)c2n1)-c1cccc(CC(=O)O)c1C3 ZINC000000022478 FD Annotated Anodyne CCOC(=O)N1[C@@H]2C=C(C)[C@H]([C@@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 ZINC000001013234 FD Annotated Anodyne CCn1nc(C)c([N+](=O)[O-])c1C(=O)NNC(=O)c1ccccc1Cl ZINC000001047680 FD Annotated Reactive Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O ZINC000001109881 FD Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000001163198 FD Annotated Anodyne CCN(CC)c1nc(N)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000001232475 FD Annotated Anodyne CCCN(CC1CC1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1 ZINC000001325484 FD Annotated Anodyne CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)OC)o2)cc1 ZINC000001329608 FD Annotated Anodyne CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1 ZINC000001342118 FD Annotated Anodyne C[C@@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@@H](C)O1 ZINC000001417129 FD Annotated Clean C[C@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@H](C)O1 ZINC000001417130 FD Annotated Clean CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000001483339 FD Annotated Anodyne O=C(O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O ZINC000001485771 FD Annotated Anodyne in-vivo O=C(O)CCc1cn2c3c([nH]c(=O)c2n1)-c1cccc(CC(=O)O)c1C3 ZINC000001486911 FD Annotated Anodyne C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]2[C@H](Cl)C(=O)CC(=O)[C@H]2C(=O)O1 ZINC000100033499 FD Annotated Reactive in-vivo C[C@@H]1C(=O)c2nc(CN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034449 FD Annotated Anodyne C[C@H]1C(=O)c2nc(CN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O ZINC000100034452 FD Annotated Anodyne CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000100059222 FD Annotated Anodyne in-vitro COc1nc2c(c(C)c1Cl)C(N)=C(C(=O)O)[SH]2C1(C(N)=O)CC1 ZINC000100060091 FD Annotated Anodyne in-vitro CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@H](C(N)=O)C2 ZINC000100065599 FD Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@@H]1[C@H]2CCC[C@@H]1C[C@@H](C(N)=O)C2 ZINC000100065603 FD Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2CCC[C@@H]1C[C@H](C(N)=O)C2 ZINC000100065607 FD Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@@H]2CCC[C@@H]1C[C@H](C(N)=O)C2 ZINC000100065612 FD Annotated Mild O=S(=O)(c1cnc(Cl)c(Br)c1)N1C[C@@H]2C[C@@H]1CN2 ZINC000100068395 FD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@H]2c1ccc(Br)cc1 ZINC000100082778 FD Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2S(C)(=O)=O ZINC000100083887 FD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(C)(=O)=O)C[C@H]1[C@@H]2c1ccc(Br)cc1 ZINC000100084395 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cn(C)cn2)cc1 ZINC000100086574 FD Annotated Anodyne Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc4c(c3)OCO4)oc12 ZINC000100086967 FD Annotated Anodyne Nc1c(NC/C=C/COc2cc(CN3CCCCC3)ccn2)c(=O)c1=O ZINC000100090728 FD Annotated Anodyne in-man CN1C(C(=O)NCCC[n+]2ccccc2)=C(O)c2ccccc2S1(=O)=O ZINC000100100750 FD Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cncnc2)cc1 ZINC000100101555 FD Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cncnc2)cc1 ZINC000100101557 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000100104179 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(CCC)[C@@H]21 ZINC000100104812 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3S(=O)(=O)c2cn(C)cn2)cc1 ZINC000100106798 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]2N3)cc1 ZINC000100109067 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4cn(C)cn4)C[C@@H]2N3)cc1 ZINC000100109070 FD Annotated Anodyne C=C1[C@@H]2C[C@@]3([C@@H]4C[C@@H]5[C@]6([C@@H](O)CC[C@@]5(C)CN(CC)[C@H]46)[C@H]3C[C@@H]2O)[C@@H]1O ZINC000100132300 FD Annotated Mild in-vitro C=C1[C@@H]2C[C@@]3([C@@H]4C[C@H]5[C@@]6(C)CC[C@H](O)[C@]5([C@H]3C[C@@H]2O)[C@@H]4N(CC)C6)[C@@H]1O ZINC000100132302 FD Annotated Mild in-vitro C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2O)[C@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]45)[C@@H]1O ZINC000100132306 FD Annotated Mild in-vitro C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@@H]54)[C@@H]1O ZINC000100132309 FD Annotated Mild in-vitro C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)OC)[C@@H]2N1CC1CC1 ZINC000100139100 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)OC)[C@H]2N1CC1CC1 ZINC000100139104 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@H]1O[C@@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O ZINC000100151764 FD Annotated Anodyne CC(C)[C@@]12O[C@H]1[C@H]1O[C@@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O ZINC000100151769 FD Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@H]1O[C@@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O ZINC000100151774 FD Annotated Anodyne CC(C)[C@@]12O[C@@H]1[C@H]1O[C@@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O ZINC000100151780 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)CO[C@@H]3O ZINC000100162934 FD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000100191877 FD Annotated Mild in-vitro C[C@@]12CCC[C@]3(OC1=O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO)C2 ZINC000100191944 FD Annotated Anodyne in-vitro CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccco2)c2ccccc21 ZINC000100192568 FD Annotated Reactive C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000100195608 FD Annotated Mild in-vitro CC(=O)C1=C(O)[C@](C)(c2c(O)c(C)c(O)c(C(C)=O)c2O)C(O)=CC1=O ZINC000100197865 FD Annotated Mild in-vitro CC(=O)C1=C(O)[C@@](C)(c2c(O)c(C)c(O)c(C(C)=O)c2O)C(O)=CC1=O ZINC000100197868 FD Annotated Mild in-vitro CC1=CCC[C@H]2[C@]1(C)C(=O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1 ZINC000100198236 FD Annotated Anodyne in-vitro CC1=CCC[C@@H]2[C@]1(C)C(=O)[C@@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1 ZINC000100198238 FD Annotated Anodyne in-vitro C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23 ZINC000100202682 FD Annotated Bother in-vitro CCOC(=O)NC1=C(C2CC2)C(=O)C(NC(=O)OCC)=C(C2CC2)C1=O ZINC000100236023 FD Annotated Mild in-vitro O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@@]12CO2 ZINC000100264557 FD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@@]3(C(=O)OC)[C@H]5O ZINC000100266328 FD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1O ZINC000100266333 FD Annotated Anodyne CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C(C)C)/C1=N/C(C)=O ZINC000100288773 FD Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@H]3N=C2N(C(C)C)/C1=N/C(C)=O ZINC000100288776 FD Annotated Mild CCOC(=O)[C@@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C(C)C)/C1=N/C(C)=O ZINC000100288779 FD Annotated Mild CCOC(=O)[C@H]1C=C2C(=O)N3C=CC=C[C@@H]3N=C2N(C(C)C)/C1=N/C(C)=O ZINC000100288781 FD Annotated Mild O=C1OC2(C(=O)c3ccccc3C2=O)[C@H](C(=O)c2ccc(F)cc2)C1=O ZINC000100288895 FD Annotated Clean O=C1OC2(C(=O)c3ccccc3C2=O)[C@@H](C(=O)c2ccc(F)cc2)C1=O ZINC000100288897 FD Annotated Clean O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000100291191 FD Annotated Anodyne O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000100291192 FD Annotated Anodyne CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)[C@@H](O)C[C@H]21 ZINC000100304475 FD Annotated Mild in-vitro CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@@H](O)C[C@H]21 ZINC000100304476 FD Annotated Mild in-vitro CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@@H](O)C[C@@H]21 ZINC000100304479 FD Annotated Mild in-vitro CCC1=C(C)[C@H]2OC(O)(O)C[C@@H](CC3=CC4=C(C(=O)C=CC4=O)C(=O)[C@@H]32)O1 ZINC000100305124 FD Annotated Mild in-vitro CCC1=C(C)[C@H]2OC(O)(O)C[C@@H](CC3=CC4=C(C(=O)C=CC4=O)C(=O)[C@H]32)O1 ZINC000100305130 FD Annotated Mild in-vitro C[C@@H]1S/C(=C2/C=CC=CC2=O)N[C@H]1[C@H]1SC[C@](C)(C(=O)O)N1C ZINC000100305518 FD Annotated Mild in-vitro C[C@@H]1S/C(=C2/C=CC=CC2=O)N[C@@H]1[C@H]1SC[C@](C)(C(=O)O)N1C ZINC000100305521 FD Annotated Mild in-vitro C[C@@H]1S/C(=C2/C=CC=CC2=O)N[C@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C ZINC000100305524 FD Annotated Mild in-vitro CCN1C(SCC(=O)NCc2ccco2)=NN/C1=C1/C=CC=CC1=O ZINC000100361210 FD Annotated Mild S=C(NCc1ccco1)N/N=C/C=N/NC(=S)NCc1ccco1 ZINC000100404542 FD Annotated Mild CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4C[C@H]3CN4)nc21 ZINC000100428017 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000100448503 FD Annotated Anodyne COCCCNC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000100448508 FD Annotated Anodyne N#CCCCN1C(=O)/C(=N\NC(=O)[C@H](O)c2ccccc2)c2ccccc21 ZINC000100451091 FD Annotated Reactive N#CCCCN1C(=O)/C(=N\NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 ZINC000100451095 FD Annotated Reactive COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)c1 ZINC000100453735 FD Annotated Mild O=C1C=CC=C/C1=C1\N=C(NCCN2CCOCC2)c2ccccc2N1 ZINC000100457179 FD Annotated Mild COc1cccc(N/N=C2\C(N)=Nn3c2nc(-c2ccccc2)cc3=O)c1 ZINC000100491157 FD Annotated Mild COC1=CC=C/C(=C\NNC2=N/C(=C3\C=CC=CC3=O)NC(C)=C2)C1=O ZINC000100492247 FD Annotated Mild COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(C)C=CC3=O)NN2)c1 ZINC000100532601 FD Annotated Mild O=C1C=CC=C/C1=C1\N=C(N2CCN(CCO)CC2)c2ccccc2N1 ZINC000100536285 FD Annotated Mild CC1=NN(c2ccccc2)C(=O)/C1=C/NNC(=O)c1ccc(O)cc1O ZINC000100548856 FD Annotated Reactive CC[C@@H](C)NC(=O)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000100551663 FD Annotated Anodyne CC[C@H](C)NC(=O)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000100551669 FD Annotated Anodyne COC1=CC=C/C(=c2\c(C#N)c(N)nc3c2=C(C)NN3c2ccccc2)C1=O ZINC000100552754 FD Annotated Mild COc1ccc2c(c1)=C/C(=C1\N=NN(c3ccc(Cl)nc3)N1)C(=O)N=2 ZINC000100558914 FD Annotated Anodyne O=C1C=CC=C/C1=C\NNC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 ZINC000100559324 FD Annotated Reactive CCOC1=CC=C/C(=C\NNC(=O)c2cc(-c3cccn3C)n[nH]2)C1=O ZINC000100562414 FD Annotated Reactive O=C1C=C/C(=C2\CSC(NCc3ccc4c(c3)OCO4)=NN2)C(O)=C1 ZINC000100563588 FD Annotated Mild CC1=c2c(nc(N)c(C#N)/c2=C2/C=CC(=O)C(O)=C2)N(c2ccccc2)N1 ZINC000100565101 FD Annotated Mild O=C1NC(=O)[C@H]2[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1 ZINC000100572033 FD Annotated Bother O=C1NC(=O)[C@@H]2[C@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1 ZINC000100572037 FD Annotated Bother CCN1CCN(C(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)CC1 ZINC000100610002 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)s1 ZINC000100641861 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H]4[C@@H](C#N)[C@@H]4C3)c(F)c2)C(=O)O1 ZINC000100657856 FD Annotated Mild COC(=O)Cc1c(C)nc2nc(NCc3cc(F)cc(F)c3)nn2c1O ZINC000100695449 FD Annotated Anodyne Cn1c(SCC(=O)N2CCOCC2)nc2c3ccccc3nc-2c1O ZINC000100705146 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@H]([C@H]5C[C@@H]42)[C@@H]13 ZINC000100734981 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CN2C1)C3=O ZINC000100735074 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2[C@@H]3CN4C(=O)CCC[C@@H]4[C@@H](CN2C1)C3=O ZINC000100735075 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 ZINC000100755744 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1 ZINC000100755746 FD Annotated Anodyne C[C@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@@H]2CC[C@@H]1C2 ZINC000100756170 FD Annotated Anodyne C[C@@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@@H]2CC[C@@H]1C2 ZINC000100756172 FD Annotated Anodyne C[C@@H]1CC/C(=N\Nc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000100761014 FD Annotated Mild C[C@H]1CC/C(=N/Nc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000100761022 FD Annotated Mild O=C(NN1CCOCC1)c1c(O)c2cccnc2n(-c2ccccc2)c1=O ZINC000100761059 FD Annotated Anodyne O=C(CBr)Nc1ccc(Cn2cnc3ncnc-3c2O)cc1 ZINC000100761231 FD Annotated Reactive C[C@@H]1CC/C(=N\Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000100762129 FD Annotated Mild C[C@H]1CC/C(=N/Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000100762133 FD Annotated Mild CC1(C)C=C(C(=O)NCCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)C(C)(C)N1 ZINC000100762349 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)C(C)(C)N1 ZINC000100762352 FD Annotated Anodyne Nc1nc(O)c2ncn([C@H]3C[C@@H]4C[C@@](CC(=O)O)(C(=O)O)C[C@@H]4C3)c2n1 ZINC000100768435 FD Annotated Anodyne C[C@@H]1CCC(/C=N/c2ccc(CC(=O)O)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100769690 FD Annotated Mild C[C@H]1CCC(/C=N/c2ccc(CC(=O)O)cc2)=C2NC=C(C(=O)O)C(=O)N21 ZINC000100769692 FD Annotated Mild O=C(O)C1=CNC2=C(/C=N/c3ccccc3C(=O)O)CCCCN2C1=O ZINC000100770613 FD Annotated Mild C[C@@H]1CCN2C(=O)C(C(=O)O)=CNC2=C1/C=N/c1ccccc1C(=O)O ZINC000100770829 FD Annotated Mild C[C@H]1CCN2C(=O)C(C(=O)O)=CNC2=C1/C=N/c1ccccc1C(=O)O ZINC000100770834 FD Annotated Mild C[C@@H]1CC(/C=N/c2ccccc2C(=O)O)=C2NC=C(C(=O)O)C(=O)N2C1 ZINC000100771348 FD Annotated Mild C[C@H]1CC(/C=N/c2ccccc2C(=O)O)=C2NC=C(C(=O)O)C(=O)N2C1 ZINC000100771351 FD Annotated Mild CC(=O)O[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@@]35[C@@H](C[C@@H](C(C)(C)C)[C@@]125)OC4=O ZINC000100771980 FD Annotated Anodyne CC(=O)O[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@@]35[C@@H](C[C@@H](C(C)(C)C)[C@]125)OC4=O ZINC000100771983 FD Annotated Anodyne CC(=O)O[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@]35[C@@H](C[C@@H](C(C)(C)C)[C@@]125)OC4=O ZINC000100771985 FD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@@H]1O ZINC000100773322 FD Annotated Anodyne in-man endogenous C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@@H]1O ZINC000100773324 FD Annotated Anodyne in-man endogenous C/C=C1/CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]21)c1ccccc1N[C@@H]34 ZINC000100773328 FD Annotated Anodyne in-man endogenous C/C=C1/CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]21)c1ccccc1N[C@@H]34 ZINC000100773331 FD Annotated Anodyne in-man endogenous CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@@H](C3)N4)nc21 ZINC000100773947 FD Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4CC[C@H](C3)N4)nc21 ZINC000100773955 FD Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H]4CC[C@@H]3CN4)nc21 ZINC000100777400 FD Annotated Anodyne C[C@@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@H]3CC[C@@]5(C)O)[C@@]2(O)[C@]14C ZINC000100777985 FD Annotated Anodyne in-man endogenous C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@H]3CC[C@@]5(C)O)[C@@]2(O)[C@]14C ZINC000100777986 FD Annotated Anodyne in-man endogenous C[C@@H](CO)[C@H]1C[C@H]2[C@@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@H]3CC[C@@]5(C)O)[C@@]2(O)[C@]14C ZINC000100777988 FD Annotated Anodyne in-man endogenous C[C@H](CO)[C@H]1C[C@H]2[C@@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@H]3CC[C@@]5(C)O)[C@@]2(O)[C@]14C ZINC000100777989 FD Annotated Anodyne in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778393 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000100778395 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778397 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000100778401 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000100778402 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000100778404 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000100778405 FD Annotated Mild in-man endogenous CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100778425 FD Annotated Anodyne in-man endogenous CC(C)[C@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100778427 FD Annotated Anodyne in-man endogenous CC(C)[C@@H]1C[C@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100778429 FD Annotated Anodyne in-man endogenous CC(C)[C@H]1C[C@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100778430 FD Annotated Anodyne in-man endogenous CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O ZINC000100778689 FD Annotated Mild in-man endogenous CC(C)C1=CC(=O)[C@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O ZINC000100778690 FD Annotated Mild in-man endogenous CC(C)C1=CC(=O)[C@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O ZINC000100778691 FD Annotated Mild in-man endogenous C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@H](C(=O)O)C[C@@H](O)C[C@H]12 ZINC000100780920 FD Annotated Anodyne in-man endogenous C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@H](C(=O)O)C[C@@H](O)C[C@H]12 ZINC000100780922 FD Annotated Anodyne in-man endogenous C[C@@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@H](C(=O)O)C[C@@H](O)C[C@H]12 ZINC000100780924 FD Annotated Anodyne in-man endogenous C[C@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@H](C(=O)O)C[C@@H](O)C[C@H]12 ZINC000100780927 FD Annotated Anodyne in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100781481 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100781482 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@H]3C(=O)O ZINC000100781484 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@H]3C(=O)O ZINC000100781486 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000100781867 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100782700 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100782702 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100782705 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000100782707 FD Annotated Mild in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783983 FD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783986 FD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783987 FD Annotated Anodyne in-man endogenous C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2[C@@H](O)[C@@H]2CC[C@@H](O)[C@@H](C)[C@@]12C ZINC000100783988 FD Annotated Anodyne in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100784126 FD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100784129 FD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100784130 FD Annotated Mild in-man endogenous C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@H]2[C@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000100784132 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@@H]2[C@H]3C(=O)O ZINC000100784205 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12COC(=O)[C@](C)(C[C@@H](O)C1)[C@@H]2[C@H]3C(=O)O ZINC000100784208 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@@H]2[C@H]3C(=O)O ZINC000100784210 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@]12COC(=O)[C@](C)(C[C@H](O)C1)[C@@H]2[C@H]3C(=O)O ZINC000100784213 FD Annotated Mild in-man endogenous O=C(O)CNC12C[C@H]3C[C@H](C1)CC(NC(=O)CCC1CCNCC1)(C3)C2 ZINC000100792826 FD Annotated Anodyne O=C(O)CNC12C[C@@H]3C[C@@H](C1)CC(NC(=O)CCC1CCNCC1)(C3)C2 ZINC000100792830 FD Annotated Anodyne O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H]1O[C@@H]1C5=O ZINC000100797038 FD Annotated Mild in-vivo O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@H]1C5=O ZINC000100797045 FD Annotated Mild in-vivo Nc1c(NC/C=C\COc2csc(CN3CCCCC3)c2)c(=O)c1=O ZINC000100802241 FD Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)C)[C@@]31CO1 ZINC000100824947 FD Annotated Anodyne in-man CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C ZINC000100824948 FD Annotated Anodyne in-man C[C@@](O)(C(=O)N1CCN(/C(=N\C#N)Oc2ccccc2)CC1)C(F)(F)F ZINC000100837481 FD Annotated Mild CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)O)c1c2nc(O)c2nccn21 ZINC000100848085 FD Annotated Bother Cc1c(N2C[C@H]3[C@H](N)[C@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000100861913 FD Annotated Anodyne COc1cc(OC)c(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000100871429 FD Annotated Anodyne CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(OC)c3OC)[C@]12C#N ZINC000100881648 FD Annotated Mild CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(OC)c3OC)[C@]12C#N ZINC000100881660 FD Annotated Mild Cn1/c(=N/C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)sc2ccccc21 ZINC000100892968 FD Annotated Anodyne Cn1/c(=N/C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)sc2ccccc21 ZINC000100892970 FD Annotated Anodyne Cn1/c(=N/C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)sc2ccccc21 ZINC000100892972 FD Annotated Anodyne CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100898291 FD Annotated Anodyne in-vitro CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100898292 FD Annotated Anodyne in-vitro CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000100898294 FD Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@H]2CC[C@](C)(O)[C@H]24)[C@@]13C ZINC000100898308 FD Annotated Anodyne in-vitro C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@]2(C)[C@H]2CC[C@](C)(O)[C@H]24)[C@@]13C ZINC000100898310 FD Annotated Anodyne in-vitro C[C@@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@](C)(O)[C@H]24)[C@@]13C ZINC000100898313 FD Annotated Anodyne in-vitro C[C@H](CO)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@](C)(O)[C@H]24)[C@@]13C ZINC000100898314 FD Annotated Anodyne in-vitro CC(C)C1=CC(=O)[C@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@]24O ZINC000100898318 FD Annotated Mild in-vitro C/C=C1\CN[C@@H]2C[C@@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000100898385 FD Annotated Anodyne in-vitro C/C=C1\CN[C@H]2C[C@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000100898392 FD Annotated Anodyne in-vitro C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@H]5[C@@H]2C[C@H]1C(=O)[C@@H]63 ZINC000100899224 FD Annotated Mild in-vitro C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@@H]5[C@@H]2C[C@H]1C(=O)[C@H]36 ZINC000100899227 FD Annotated Mild in-vitro CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@@]3(O)C[C@H]1[C@H]2[C@H]3O ZINC000100899262 FD Annotated Anodyne in-vitro CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@@]3(O)C[C@@H]1[C@H]2[C@H]3O ZINC000100899263 FD Annotated Anodyne in-vitro biogenic COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000100900208 FD Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4O[C@@H]4[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000100900209 FD Annotated Anodyne in-vitro O=C(O)C(=O)/C=C(\O)c1cc(/C(O)=C/C(=O)C(=O)O)c2ccccc2n1 ZINC000100917241 FD Annotated Mild C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC[C@@H]1O ZINC000100917548 FD Annotated Anodyne C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC[C@@H]1O ZINC000100917552 FD Annotated Anodyne Cc1c(F)c(N2C[C@@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000100929678 FD Annotated Anodyne Cc1c(F)c(N2C[C@@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000100932367 FD Annotated Anodyne C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2O)[C@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]45)[C@@H]1O ZINC000100941957 FD Annotated Mild CC1=C[C@@H]2O[C@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@]31CO1 ZINC000100943857 FD Annotated Mild C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]21CO1 ZINC000100946864 FD Annotated Anodyne C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000100946874 FD Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000100950942 FD Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1 ZINC000100950944 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000100951522 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000100951527 FD Annotated Anodyne C/C=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000100952437 FD Annotated Anodyne C/C=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000100952440 FD Annotated Anodyne CN(C)CCNC(=O)C1=CC=C([N+](=O)[O-])[C@@H]2C(=O)c3ccccc3N=C12 ZINC000100955921 FD Annotated Anodyne O=C1[C@H]2OC[C@@H](CO)[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000100969373 FD Annotated Anodyne O=C1[C@H]2OCCC[C@@](O)(C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000100971992 FD Annotated Anodyne COC(=O)CCCCCCCCCCOC1=C(O)O[C@H]([C@H](O)CO)C1=O ZINC000100973421 FD Annotated Mild COC(=O)CCCCCCCCCCOC1=C(O)O[C@@H]([C@H](O)CO)C1=O ZINC000100973426 FD Annotated Mild COC(=O)CCCCCCCCCCOC1=C(O)O[C@H]([C@@H](O)CO)C1=O ZINC000100973432 FD Annotated Mild COC(=O)CCCCCCCCCCOC1=C(O)O[C@@H]([C@@H](O)CO)C1=O ZINC000100973436 FD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000100996192 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@]12CO2 ZINC000100996199 FD Annotated Anodyne CNC1=C(O)[C@@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)OC1=O ZINC000101006436 FD Annotated Anodyne CNC1=C(O)[C@](CCc2ccccc2)(C(=O)NC[C@@H]2CCCO2)OC1=O ZINC000101006438 FD Annotated Anodyne CNC1=C(O)[C@@](CCc2ccccc2)(C(=O)NC[C@H]2CCCO2)OC1=O ZINC000101006443 FD Annotated Anodyne CNC1=C(O)[C@](CCc2ccccc2)(C(=O)NC[C@H]2CCCO2)OC1=O ZINC000101006447 FD Annotated Anodyne CCc1c2s[nH]c(=O)c2c(=O)n2ccc(N3CC[C@H](N(C)C)C3)cc12 ZINC000101035127 FD Annotated Anodyne CCc1c2s[nH]c(=O)c2c(=O)n2ccc(N3CC[C@@H](N(C)C)C3)cc12 ZINC000101035128 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C=O)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101036326 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3[C@@H]4CN(C#N)C[C@@H]43)c(F)c2)C(=O)O1 ZINC000101038124 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)C(=S)[C@H]2SC(=S)S[C@@H]2C1=S ZINC000101071951 FD Annotated Clean COC(=O)C1=C(C(=O)OC)C(=S)[C@@H]2SC(=S)S[C@H]2C1=S ZINC000101071957 FD Annotated Clean O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000101076538 FD Annotated Anodyne C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](O)CO[C@@H]6O[C@]4(CO5)[C@]21O ZINC000101077356 FD Annotated Anodyne C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](O)CO[C@@H]6O[C@]4(CO5)[C@]21O ZINC000101077358 FD Annotated Anodyne C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](O)CO[C@@H]6O[C@]4(CO5)[C@]21O ZINC000101077362 FD Annotated Anodyne C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](O)CO[C@@H]6O[C@]4(CO5)[C@]21O ZINC000101077365 FD Annotated Anodyne CN(C)CCO/N=C1/c2ccncc2C(=O)c2cn(CCN(C)C)cc21 ZINC000101098903 FD Annotated Mild CC1(C)C=C(C(=O)NCCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)C(C)(C)N1 ZINC000101117071 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C(C)(C)N1 ZINC000101117072 FD Annotated Anodyne C=CC[C@@]12C=C(OC)C(=O)[C@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000101164975 FD Annotated Mild CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3[C@@H]4CC[C@@H]3CNC4)nc21 ZINC000101178554 FD Annotated Anodyne CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3[C@H]4CC[C@H]3CNC4)nc21 ZINC000101178559 FD Annotated Anodyne C[C@@H]1CCC(/C=N/c2ccccc2C(=O)O)=C2NC=C(C(=O)O)C(=O)N21 ZINC000101185212 FD Annotated Mild C[C@H]1CCC(/C=N/c2ccccc2C(=O)O)=C2NC=C(C(=O)O)C(=O)N21 ZINC000101185217 FD Annotated Mild NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c(Cl)c(Cl)sc4c32)N1 ZINC000101191603 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@H]([C@@H]5C[C@H]42)[C@H]13 ZINC000101194530 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@H]([C@@H]5C[C@H]42)[C@@H]13 ZINC000101194532 FD Annotated Anodyne CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C)c2)c(=O)n1CC ZINC000101204870 FD Annotated Mild C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 ZINC000101209255 FD Annotated Mild C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 ZINC000101209258 FD Annotated Mild OC[C@]1(Cc2ccccc2)C[C@@H](O)C[C@](CO)(Cc2ccccc2)[C@H]1O ZINC000101241414 FD Annotated Anodyne OC[C@]1(Cc2ccccc2)C[C@H](O)C[C@](CO)(Cc2ccccc2)[C@H]1O ZINC000101241419 FD Annotated Anodyne CC(C)N1C[C@@H]2C[C@H](CN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C2)C1 ZINC000101263880 FD Annotated Anodyne CC(C)N1C[C@H]2C[C@@H](CN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C2)C1 ZINC000101263884 FD Annotated Anodyne O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1N1CCOCC1 ZINC000101268630 FD Annotated Anodyne O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1N1CCOCC1 ZINC000101268631 FD Annotated Anodyne COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nnn2c31 ZINC000101321779 FD Annotated Bother CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101326283 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000101326284 FD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3C[C@@H]4CC[C@@H]3CN4)c(F)cc2c1=O ZINC000101335729 FD Annotated Anodyne C[C@H]1CN1C1=C(N2CCCC2)C(=O)C(N2C[C@H]2C)=C(N2CCCC2)C1=O ZINC000101336076 FD Annotated Mild C[C@H]1CN1C1=C(N2CCCC2)C(=O)C(N2C[C@@H]2C)=C(N2CCCC2)C1=O ZINC000101336079 FD Annotated Mild CCN(CC)CCNc1c(C#N)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000101338327 FD Annotated Mild O=C(CN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000101338546 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000101338556 FD Annotated Anodyne COC(=O)[C@@]12CO[C@]3(O)[C@H]4CCN(CC[C@@H]13)[C@H]4c1c2[nH]c2ccccc12 ZINC000101352249 FD Annotated Anodyne Cc1c(F)c(N2C[C@@H]3CC[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000101357765 FD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccccc21)C3 ZINC000101370602 FD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)C[C@H]1N2C ZINC000101396952 FD Annotated Mild CCCCN1C(=O)CS/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000101397082 FD Annotated Mild CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@@H]54)[C@H]3C2=O)cc1 ZINC000101397770 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c([C@H]3[C@@H]4COC[C@@H]43)c(F)c2)C(=O)O1 ZINC000101409285 FD Annotated Anodyne CNC(=O)OCc1nc(SS(C)(C)C)n(C)c1COC(=O)NC ZINC000101411343 FD Annotated Reactive CCOC(=O)CN1C[C@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]3C1=O ZINC000101411666 FD Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@@H]1C(C)(C)[C@@H]3CC(=O)[C@@]21CO3 ZINC000101419256 FD Annotated Mild CN(C)CCO/N=C1/c2ccncc2C(=O)c2c1ccn2CCN(C)C ZINC000101427795 FD Annotated Mild CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(/N=N\N2CCOCC2)cc1 ZINC000101461262 FD Annotated Clean NC(=O)[C@H]1CC[C@@H](n2c(=O)[nH]c3ncc(-c4ccc(O)cc4)nc32)CC1 ZINC000101467172 FD Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](n2c(=O)[nH]c3ncc(-c4ccc(O)cc4)nc32)CC1 ZINC000101467173 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(/N=N/c2c(N)nc(O)nc2O)cc1 ZINC000101475240 FD Annotated Clean CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000101477577 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000101477580 FD Annotated Anodyne CCOc1ccc(NC(=O)CC/N=c2/c(N3CCCC3)c(O)c2=O)cc1 ZINC000101480592 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000101482601 FD Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]21CO1 ZINC000101482606 FD Annotated Mild C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@@H]5O)[C@]3(C2)[C@@H]1O ZINC000101497539 FD Annotated Mild O=C(CO)N1[C@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000101498780 FD Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccs1 ZINC000101505612 FD Annotated Anodyne CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](NCCNC(=O)N1CCCCC1)C2 ZINC000101505630 FD Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCCCC1 ZINC000101505631 FD Annotated Anodyne Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)N1CCOCC1 ZINC000101507639 FD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c(C(N)=O)c(O[C@H]3CCC[C@@H]3O)n2)CC1 ZINC000101507800 FD Annotated Anodyne CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@H](c3ccco3)CC2=O)CC1 ZINC000101510710 FD Annotated Mild C[C@@]12NC(=O)[C@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101565376 FD Annotated Anodyne CO[C@H]1C(=O)C[C@]23CCN(C)[C@@]24C[C@@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000101565907 FD Annotated Anodyne C[C@@]12NC(=O)[C@H](C[C@@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000101578772 FD Annotated Anodyne CON1C(=O)[C@H]2NC(=O)[C@]13Oc1cc(O)c(Cl)cc1[C@@H]3SS2 ZINC000101585864 FD Annotated Reactive O=C1[C@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CO2 ZINC000101614816 FD Annotated Anodyne O=C1[C@H]2C=C(I)[C@@H](C[C@H]2OCCCCO)[C@]12CO2 ZINC000101614821 FD Annotated Anodyne COC(=O)Cc1c(C)nc2nc(NCc3ccccc3OC)nn2c1O ZINC000101635399 FD Annotated Anodyne COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000101655041 FD Annotated Anodyne COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(=O)O[C@H]1CCCCC1=O ZINC000101655046 FD Annotated Anodyne COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C(=O)O[C@H]1CCCCC1=O ZINC000101655049 FD Annotated Anodyne Cc1ccc(-n2nc(C)c(/C=N/C34CN5CN(CN(C5)C3)C4)c2O)cc1C ZINC000101656579 FD Annotated Mild NC(=S)N/N=C(/C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@H]12)c1ccccc1 ZINC000101658411 FD Annotated Mild NC(=S)N/N=C(/C[C@@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@H]12)c1ccccc1 ZINC000101658414 FD Annotated Mild NC(=S)N/N=C(/C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@H]12)c1ccccc1 ZINC000101658416 FD Annotated Mild NC(=S)N/N=C(/C[C@@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@H]12)c1ccccc1 ZINC000101658419 FD Annotated Mild COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H]3CO3)[C@@H]1C2=O ZINC000101668001 FD Annotated Anodyne Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@@H]1CC[C@H](OCO)CC1 ZINC000101675188 FD Annotated Anodyne Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2[C@@H]1CC[C@@H](OCO)CC1 ZINC000101675271 FD Annotated Anodyne CO[C@@H]1C(=O)C[C@]23CCN(C)[C@@]24C[C@@H](O[C@]14OC)c1cc2c(cc13)OCO2 ZINC000101678242 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@]12O ZINC000101679042 FD Annotated Mild O=S1(=O)N=C(NC23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)O[C@H]2CCCC[C@H]21 ZINC000101690786 FD Annotated Anodyne O=S1(=O)N=C(NC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)O[C@H]2CCCC[C@H]21 ZINC000101690791 FD Annotated Anodyne C[C@@H]1CC[C@H]2[C@](C)(S(C)(=O)=O)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101699154 FD Annotated Reactive C[C@@H]1CC[C@@H]2[C@]34OO[C@@](C)(CC[C@@H]13)O[C@H]4O[C@@H](O)[C@]2(C)S(C)(=O)=O ZINC000101703821 FD Annotated Reactive CC(=O)N1CCN(C(=O)Cn2c(-c3ccc(C)cc3)csc2=N)CC1 ZINC000101703878 FD Annotated Anodyne COC(=O)c1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc(C(=O)OC)c1 ZINC000101706533 FD Annotated Anodyne COC(=O)c1cc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc(C(=O)OC)c1 ZINC000101706537 FD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3C[C@@H]4CCC[C@@H]3CN4)c(F)cc2c1=O ZINC000101763974 FD Annotated Anodyne CN1C[C@@H]2C[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000101810829 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101833275 FD Annotated Mild O=c1c2ncn(C[C@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3ccccc3)cn12 ZINC000101835760 FD Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3ccccc3)cn12 ZINC000101835771 FD Annotated Anodyne O=c1c2ncn(C[C@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3ccccc3)cn12 ZINC000101835775 FD Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3ccccc3)cn12 ZINC000101835784 FD Annotated Anodyne Cn1/c(=N\C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)sc2ccccc21 ZINC000101871942 FD Annotated Anodyne Cn1/c(=N\C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)sc2ccccc21 ZINC000101871945 FD Annotated Anodyne O=c1c2ncn([C@H]3CO[C@@H](CO)O3)c2nc2[nH]c(-c3ccc(F)cc3)cn12 ZINC000101883494 FD Annotated Anodyne Cc1ccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)cc1 ZINC000101897973 FD Annotated Anodyne C/C(O)=C1\C(=O)[C@@H]2[C@H]3[C@@H]4C(=O)N(C)c5cccc(c54)C[C@H]3C(C)(C)N2C1=O ZINC000101904548 FD Annotated Mild CCN1CCN(C(=O)Cn2ncc3c4cc(C)ccc4nc-3c2O)CC1 ZINC000101912059 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@@]1(F)CC[C@H]2[C@@]12C=CC(=O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000101922700 FD Annotated Mild COC(=O)NCCc1n[nH]c2c1C(=O)C=C(Nc1ccccc1OC)C2=O ZINC000101930721 FD Annotated Mild O=C(O)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 ZINC000101933655 FD Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)n1 ZINC000101953423 FD Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)n1 ZINC000101953426 FD Annotated Anodyne O=C(CCCCCOc1ccccc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O ZINC000101966802 FD Annotated Anodyne S=C(NCc1ccco1)N/N=C\C=N/NC(=S)NCc1ccco1 ZINC000101991006 FD Annotated Mild CC[N+](C)(C)CCCNC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C ZINC000101992503 FD Annotated Bother C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@H]2CC[C@@]3(C)CO[C@@H](O2)[C@@H]13 ZINC000101994915 FD Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)OC)C[C@@H]1N2C ZINC000102006716 FD Annotated Anodyne COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(F)cc3[n+]2[O-])cc1 ZINC000102010143 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)OC)C[C@@H]1N2C ZINC000102015423 FD Annotated Anodyne COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(C)cc3[n+]2[O-])cc1 ZINC000102021041 FD Annotated Anodyne COc1ccc(CCNC(=O)c2c(C)[n+]([O-])c3ccc(C)cc3[n+]2[O-])cc1 ZINC000102021198 FD Annotated Anodyne COC(=O)/C(C)=C/C(=O)O[C@@H]1C[C@H]2C[C@H](OC(=O)C=C(C)C)[C@H](C1)N2C ZINC000102027995 FD Annotated Anodyne CN1C(C(=O)NCCCC[N+](C)(C)C)=C(O)c2ccccc2S1(=O)=O ZINC000102036508 FD Annotated Bother CON1C(=O)[C@@H]2NC(=O)[C@@]13Oc1cc(O)c(Cl)cc1[C@@H]3SS2 ZINC000102055945 FD Annotated Reactive COc1ccc(CNC(=O)c2c(C)[n+]([O-])c3ccc(OC)cc3[n+]2[O-])cc1 ZINC000102061341 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)[C@@H]4OC[C@@]2(O)[C@@]1(C)[C@@]34C ZINC000102061627 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)[C@@H](O)[C@@H]4OC[C@@]2(O)[C@@]1(C)[C@@]34C ZINC000102061632 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)[C@@H]4OC[C@]2(O)[C@@]1(C)[C@@]34C ZINC000102061635 FD Annotated Anodyne CN(C/C=C/c1ccccc1)Cc1ccc2c(c1)[n+]([O-])c(C#N)c(N)[n+]2[O-] ZINC000102070282 FD Annotated Mild CC1(C)[C@@H]2CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)[C@@H]1C2 ZINC000102080627 FD Annotated Anodyne CC1(C)[C@@H]2C[C@@H]1CC=C2CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O ZINC000102080641 FD Annotated Anodyne NC[C@]12C[C@@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2 ZINC000102113150 FD Annotated Anodyne N=c1c2ncnc(Nc3ccccc3)c2ncn1NC(=O)c1ccncc1 ZINC000102126196 FD Annotated Anodyne CS(=O)(=O)ON1C(=O)C[C@@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000102185237 FD Annotated Mild CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@H]2C[C@@H]2C1=O ZINC000102191222 FD Annotated Anodyne CN1C[C@@H]2CC[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000102276718 FD Annotated Anodyne O=c1c2ncn(C[C@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3cccs3)cn12 ZINC000102287519 FD Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@@H]3CO)c2nc2[nH]c(-c3cccs3)cn12 ZINC000102287524 FD Annotated Anodyne O=c1c2ncn(C[C@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3cccs3)cn12 ZINC000102287528 FD Annotated Anodyne O=c1c2ncn(C[C@@]3(CO)C[C@H]3CO)c2nc2[nH]c(-c3cccs3)cn12 ZINC000102287532 FD Annotated Anodyne C=C1C[C@@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@H](C(=O)OCC)[C@@H]1N2C ZINC000102374099 FD Annotated Mild C=C1C[C@@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@@H](C(=O)OCC)[C@@H]1N2C ZINC000102374101 FD Annotated Mild COc1ccc2c(c1)/C(=N/NC(N)=S)C(=O)N2CC(=O)c1ccccc1 ZINC000102401775 FD Annotated Mild Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21 ZINC000102403694 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@H]1C[C@H]1O[C@@]13C2=O ZINC000102408364 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCCC(=O)C2)c1 ZINC000102550708 FD Annotated Reactive NS(=O)(=O)c1ccc(-c2ccc(/C=N\[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000102635340 FD Annotated Mild NS(=O)(=O)c1ccc(-c2ccc(/C=N\[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000102635345 FD Annotated Mild C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1 ZINC000102718137 FD Annotated Anodyne CN1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 ZINC000102735877 FD Annotated Reactive CN1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 ZINC000102735879 FD Annotated Reactive COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000102751733 FD Annotated Anodyne COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000102751735 FD Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N\c2ccc(F)cc2)CC1 ZINC000102777634 FD Annotated Anodyne CCOC(=O)N1CCC(/N=c2/c(O)c(O)/c2=N/c2ccc(F)cc2)CC1 ZINC000102777637 FD Annotated Anodyne CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/c2ccc(F)cc2)CC1 ZINC000102777639 FD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4C(=O)CC[C@H](O2)[C@H]4[C@H]3[C@@H]1C ZINC000102781255 FD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000102781487 FD Annotated Anodyne C/C1=C/[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC1 ZINC000102827819 FD Annotated Anodyne C=C1[C@@H]2C[C@]3([C@H]1O)[C@H](C[C@H]2O)[C@]12[C@@H](O)CC[C@@]4(C)CN(CC)[C@H]1[C@@H]3C[C@@H]24 ZINC000102833362 FD Annotated Mild Cc1c(/C=N/NC(=O)c2ccncc2)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-] ZINC000102845250 FD Annotated Reactive Cc1cc2c(cc1C)[n+]([O-])c(/C=N/NC(=O)c1ccncc1)c(C)[n+]2[O-] ZINC000102845261 FD Annotated Reactive Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)C1C(=O)NC(=O)NC1=O ZINC000102887232 FD Annotated Mild O=C1C(Cl)=C(NCCCn2cnc([N+](=O)[O-])n2)C(=O)c2ccccc21 ZINC000102906109 FD Annotated Mild C[C@@]12CCC[C@@]3(C)C(=O)O[C@H]([C@@H]13)[C@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000102906574 FD Annotated Anodyne COc1cc(Nc2c(C#N)[n+]([O-])c3ccccc3[n+]2[O-])cc(OC)c1OC ZINC000102917803 FD Annotated Mild Cc1c(Nc2csc3ncn(N)c(=N)c23)c(=O)n(-c2ccccc2)n1C ZINC000102925708 FD Annotated Anodyne COC1=C(OC)C(=O)C([C@@H]2COc3cc(OC)c(OC)cc3C2)=CC1=O ZINC000102938406 FD Annotated Mild O=C1[C@H]2CCCC[C@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000102939925 FD Annotated Anodyne O=C1[C@@H]2CCCC[C@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000102939929 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(/CO)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000102943889 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(/CO)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000102943891 FD Annotated Anodyne C[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000102945480 FD Annotated Anodyne COc1ccc(C(N)=O)cc1N1C(=O)C[C@H](NCc2ccc(F)cc2)C1=O ZINC000102955378 FD Annotated Anodyne O=C1C(Cl)=C(NCCCN2CCOCC2)C(=O)c2c(O)ccc(O)c21 ZINC000102956988 FD Annotated Mild CC1=NNC(=O)[C@@H]1[C@]1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1 ZINC000102960273 FD Annotated Anodyne CC1=NNC(=O)[C@H]1[C@]1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1 ZINC000102960277 FD Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@@]1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1 ZINC000102960281 FD Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@]1(C(=O)O)CC(c2c[nH]c3ccccc23)=NC(=S)N1 ZINC000102960284 FD Annotated Anodyne Cc1ccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)cc1 ZINC000102970889 FD Annotated Anodyne Cc1ccccc1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O ZINC000102972925 FD Annotated Anodyne Cc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 ZINC000102972928 FD Annotated Anodyne Cc1cccc(C)c1/C=c1\[nH]c(=O)/c(=C/c2nc[nH]c2C(C)(C)C)[nH]c1=O ZINC000102973209 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cc(F)ccc2F)[nH]c1=O ZINC000102973219 FD Annotated Anodyne COC(=O)[C@H]1N[C@@H](C(=O)OC)[C@]23CCC[C@H]2CC[C@]1(C(OC)OC)C3 ZINC000102981274 FD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CC[C@H](O)[C@@H]4O)c3n2)CC1 ZINC000102993775 FD Annotated Anodyne CC(C)C[C@H]1N[C@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000103004764 FD Annotated Anodyne CC(=O)/C(=N/Nc1ccc2c(=O)cc(C)oc2c1)N1CCN(CCO)CC1 ZINC000103005561 FD Annotated Mild O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCOCC1 ZINC000103011217 FD Annotated Anodyne O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(c2ncccn2)CC1 ZINC000103015949 FD Annotated Anodyne O=C1[C@H]2CC=CC[C@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000103016149 FD Annotated Anodyne O=C1[C@@H]2CC=CC[C@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000103016152 FD Annotated Anodyne CN1C(=O)C(Cc2nccc3c4ccccc4n(C)c23)C(=O)N(C)C1=O ZINC000103021483 FD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn(C4[C@@H](O)CC[C@@H]4O)c3n2)CC1 ZINC000103032900 FD Annotated Anodyne CC(=O)O[C@H]1C(=O)OC[C@]12[C@]1(C(C)(C)C)C[C@H]3OC(=O)[C@@]4(CCC[C@@]342)O1 ZINC000103041446 FD Annotated Anodyne COCO[C@H]1C(=O)OC[C@]12[C@]1(C(C)(C)C)C[C@H]3OC(=O)[C@@]4(CCC[C@@]342)O1 ZINC000103041457 FD Annotated Anodyne [O-][n+]1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)[n+]([O-])c2ccc(Br)cc21 ZINC000103073244 FD Annotated Anodyne CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)C[C@@]34[C@@]13COC(=O)[C@H]3O)O2 ZINC000103106005 FD Annotated Reactive CC(C)(C)[C@@]12C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)C[C@@]34[C@]13COC(=O)[C@H]3O)O2 ZINC000103106010 FD Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](COS(C)(=O)=O)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103106267 FD Annotated Reactive O=C(O)[C@@H]1[C@@H](C(=O)O)[C@]23C[C@@]2(C(=O)O)[C@]2(C(=O)O)CCC3=C3CCC[C@@]312 ZINC000103108295 FD Annotated Anodyne COc1cccc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)c1 ZINC000103108802 FD Annotated Anodyne C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000103116025 FD Annotated Mild [O-][n+]1nc2c(-c3ncn[nH]3)cnn2c2cc(OCc3ccncc3)ccc21 ZINC000103119138 FD Annotated Anodyne [O-][n+]1nc2c(-c3ncn[nH]3)cnn2c2cc(OCc3ccccc3)ccc21 ZINC000103119815 FD Annotated Anodyne N#C[C@@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Cl)cc1 ZINC000103131014 FD Annotated Mild N#C[C@@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Cl)cc1 ZINC000103131015 FD Annotated Mild N#C[C@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@@H]1c1ccc(Cl)cc1 ZINC000103131017 FD Annotated Mild N#C[C@H]1C(=O)N=C2SC(S(N)(=O)=O)=NN2[C@H]1c1ccc(Cl)cc1 ZINC000103131019 FD Annotated Mild C[C@H](O)[C@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103131474 FD Annotated Mild C[C@@H](O)[C@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103131476 FD Annotated Mild C[C@H](O)[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103131479 FD Annotated Mild C[C@@H](O)[C@@H](/N=C1/c2c(O)cccc2Cc2cc(CO)cc(O)c21)C(=O)O ZINC000103131482 FD Annotated Mild CN=[S@](=O)(C[C@]1(O)C[C@H]2O[C@@H]1[C@H]1OC(C)(C)O[C@H]12)c1ccccc1 ZINC000103134557 FD Annotated Anodyne CN=[S@](=O)(C[C@]1(O)C[C@H]2O[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21)c1ccccc1 ZINC000103134559 FD Annotated Anodyne COc1cccc(NC2=CC(=O)c3cccc(S(N)(=O)=O)c3C2=O)c1 ZINC000103138827 FD Annotated Mild COc1ccc(NC2=CC(=O)c3cccc(S(N)(=O)=O)c3C2=O)cc1 ZINC000103138832 FD Annotated Mild C=C1[C@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1O ZINC000103139256 FD Annotated Mild CCCc1nnc(NC(=O)[C@@H]2C(=O)c3cccc4c3N(CC4)C2=O)s1 ZINC000103142529 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@H]2C(=O)c3cccc4c3N(CC4)C2=O)s1 ZINC000103142533 FD Annotated Anodyne COCO[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@@]35[C@@H](C[C@@H](C(C)(C)C)[C@]125)OC4=O ZINC000103146503 FD Annotated Anodyne N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000103147698 FD Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])s1)[n+]2[O-] ZINC000103147700 FD Annotated Mild Cc1ccc2c(c1)[n+]([O-])c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])o1)[n+]2[O-] ZINC000103147731 FD Annotated Mild Cc1cc2c(cc1C)[n+]([O-])c(NC(=O)c1ccc([N+](=O)[O-])o1)c(C#N)[n+]2[O-] ZINC000103147734 FD Annotated Mild COC(=O)C1=C[C@@H]2C3=C(NCCCO)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164680 FD Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCO)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164682 FD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCO)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164684 FD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCO)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164686 FD Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164688 FD Annotated Anodyne COC(=O)C1=C[C@@H]2C3=C(NCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164691 FD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4ccccc4N(C)C3=N[C@H]2C=C1 ZINC000103164693 FD Annotated Anodyne COC(=O)C1=C[C@H]2C3=C(NCCCN)c4ccccc4N(C)C3=N[C@@H]2C=C1 ZINC000103164694 FD Annotated Anodyne N=C(N)c1ccc(Nc2nc(N)nc(NC3=CC[C@H](C(=N)N)C=C3)n2)cc1 ZINC000103165588 FD Annotated Anodyne CN1C2=N[C@H]3C=CC(C(=O)O)=C[C@@H]3C2=C(NCCCO)c2ccccc21 ZINC000103165885 FD Annotated Anodyne CN1C2=N[C@@H]3C=CC(C(=O)O)=C[C@@H]3C2=C(NCCCO)c2ccccc21 ZINC000103165887 FD Annotated Anodyne CN1C2=N[C@H]3C=CC(C(=O)O)=C[C@H]3C2=C(NCCCO)c2ccccc21 ZINC000103165889 FD Annotated Anodyne CN1C2=N[C@@H]3C=CC(C(=O)O)=C[C@H]3C2=C(NCCCO)c2ccccc21 ZINC000103165893 FD Annotated Anodyne CN(C)CCNc1nc2sc3cc(Cl)ccc3n2c(=O)c1C(N)=O ZINC000103166691 FD Annotated Anodyne NC(=O)c1c(N2CCOCC2)nc2sc3cc(Cl)ccc3n2c1=O ZINC000103167945 FD Annotated Anodyne C=CC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103168708 FD Annotated Mild C=CC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103168710 FD Annotated Mild COc1cc(C[C@@]2(C(C)C)C(=N)NC(=S)NC2=O)cc(OC)c1OC ZINC000103168712 FD Annotated Anodyne COc1cc(C[C@]2(C(C)C)C(=N)NC(=S)NC2=O)cc(OC)c1OC ZINC000103168716 FD Annotated Anodyne CC[C@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103168719 FD Annotated Anodyne CC[C@@]1(Cc2cc(OC)c(OC)c(OC)c2)C(=N)NC(=S)NC1=O ZINC000103168721 FD Annotated Anodyne Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(Br)c1 ZINC000103170163 FD Annotated Clean COc1cccc2c1C(=O)C(NCCOC(=O)[C@H](C)NC(C)=O)=C(C)C2=O ZINC000103172789 FD Annotated Mild Nc1ccc(-c2nc3ccccc3c(=O)n2C(=O)CC[C@H](N)C(=O)O)cc1 ZINC000103173865 FD Annotated Anodyne Nc1ccc(-c2nc3ccccc3c(=O)n2C(=O)CC[C@@H](N)C(=O)O)cc1 ZINC000103173866 FD Annotated Anodyne N[C@@H](CCC(=O)n1c(-c2ccccc2)nc2ccccc2c1=O)C(=O)O ZINC000103174565 FD Annotated Anodyne N[C@H](CCC(=O)n1c(-c2ccccc2)nc2ccccc2c1=O)C(=O)O ZINC000103174567 FD Annotated Anodyne N[C@@H](CCC(=O)n1c(-c2ccc(O)cc2)nc2ccccc2c1=O)C(=O)O ZINC000103174571 FD Annotated Anodyne N[C@H](CCC(=O)n1c(-c2ccc(O)cc2)nc2ccccc2c1=O)C(=O)O ZINC000103174574 FD Annotated Anodyne O=C(/C=C/c1ccco1)Nc1ccc(O)c(NC(=O)[C@@H]2C[C@@H](O)CN2)c1 ZINC000103177642 FD Annotated Anodyne CCOC(=O)[C@H](CC(C)C)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103179202 FD Annotated Anodyne CCOC(=O)[C@@H](CC(C)C)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103179205 FD Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC)[C@@](C)(O)N1C ZINC000103184719 FD Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC)[C@@](C)(O)N1C ZINC000103184722 FD Annotated Anodyne CCOc1ccc(CN/C(SC)=C(\C#N)C(=O)OCCOC)cn1 ZINC000103186349 FD Annotated Reactive CN1C2=N[C@H]3C=CC(C(=O)O)=C[C@@H]3C2=C(NCCCN)c2ccccc21 ZINC000103186534 FD Annotated Anodyne CN1C2=N[C@@H]3C=CC(C(=O)O)=C[C@@H]3C2=C(NCCCN)c2ccccc21 ZINC000103186536 FD Annotated Anodyne CN1C2=N[C@H]3C=CC(C(=O)O)=C[C@H]3C2=C(NCCCN)c2ccccc21 ZINC000103186537 FD Annotated Anodyne CN1C2=N[C@@H]3C=CC(C(=O)O)=C[C@H]3C2=C(NCCCN)c2ccccc21 ZINC000103186539 FD Annotated Anodyne CN(C)CCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21 ZINC000103186542 FD Annotated Anodyne CN(C)CCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@H]23)N(C)c2ccccc21 ZINC000103186544 FD Annotated Anodyne CN(C)CCNC1=C2C(=N[C@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21 ZINC000103186545 FD Annotated Anodyne CN(C)CCNC1=C2C(=N[C@@H]3C=CC(C(=O)O)=C[C@@H]23)N(C)c2ccccc21 ZINC000103186547 FD Annotated Anodyne COc1cc(C)cc(Br)c1C1C(=O)N2CCOCCN2C1=O ZINC000103186593 FD Annotated Clean C[C@@H]1/C(O)=C2/C(=O)N[C@H](Cc3ccc(cc3)OC[C@H]3O[C@@H]3CC[C@H]1O)C2=O ZINC000103186602 FD Annotated Mild C[C@@H]1/C(O)=C2/C(=O)N[C@H](Cc3ccc(cc3)OC[C@H]3O[C@@H]3CC[C@@H]1O)C2=O ZINC000103186604 FD Annotated Mild CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@H](C(=O)OC)C2CCCC2)n1 ZINC000103187358 FD Annotated Anodyne CCN(CC)C(=O)n1cnc(S(=O)(=O)[C@@H](C(=O)OC)C2CCCC2)n1 ZINC000103187361 FD Annotated Anodyne CC[C@@H](C)C[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103187366 FD Annotated Anodyne CC[C@H](C)C[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103187368 FD Annotated Anodyne CCOCCOC(=O)/C(C#N)=C(/NCc1ccc(OC)nc1)SC ZINC000103187664 FD Annotated Reactive COC(=O)COC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SC ZINC000103187666 FD Annotated Reactive CS/C(NCc1ccc(Cl)nc1)=C(/C#N)C(=O)N1CCOCC1 ZINC000103187668 FD Annotated Reactive CCCC[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103188758 FD Annotated Anodyne CCCC[C@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103188760 FD Annotated Anodyne CCC(CC)[C@@H](C(=O)OC)S(=O)(=O)c1ncn(C(=O)N(CC)CC)n1 ZINC000103188778 FD Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103192695 FD Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COC(=O)C(=O)O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103192699 FD Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COS(C)(=O)=O)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103192711 FD Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COS(C)(=O)=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103192714 FD Annotated Reactive COC(C)(C[C@H]1O[C@@H]2[C@@H]1O[C@@H]1O[C@@H](C(Cl)(Cl)Cl)O[C@@H]12)OC ZINC000103193053 FD Annotated Anodyne COC(C)(C[C@@H]1O[C@@H]2[C@@H]1O[C@@H]1O[C@@H](C(Cl)(Cl)Cl)O[C@@H]12)OC ZINC000103193055 FD Annotated Anodyne COC(C)(C[C@H]1O[C@H]2[C@@H]1O[C@@H]1O[C@H](C(Cl)(Cl)Cl)O[C@H]21)OC ZINC000103193057 FD Annotated Anodyne COC(C)(C[C@@H]1O[C@H]2[C@@H]1O[C@@H]1O[C@H](C(Cl)(Cl)Cl)O[C@H]21)OC ZINC000103193059 FD Annotated Anodyne COC(C)(C[C@H]1O[C@@H]2[C@@H]1O[C@@H]1O[C@H](C(Cl)(Cl)Cl)O[C@@H]12)OC ZINC000103193062 FD Annotated Anodyne COC(C)(C[C@@H]1O[C@@H]2[C@@H]1O[C@@H]1O[C@H](C(Cl)(Cl)Cl)O[C@@H]12)OC ZINC000103193064 FD Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103194253 FD Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCOCC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103194255 FD Annotated Reactive NC(=O)c1c(N)oc2c(Br)cc(Br)cc2c1=O ZINC000103194608 FD Annotated Anodyne O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccccc2)CC1 ZINC000103195428 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccccc2)CC1 ZINC000103195430 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccccc2)CC1 ZINC000103195433 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccccc2)CC1 ZINC000103195435 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@H]2c2ccco2)CC1 ZINC000103197041 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@@H](Cl)[C@@H]2c2ccco2)CC1 ZINC000103197045 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@H]2c2ccco2)CC1 ZINC000103197048 FD Annotated Reactive O=C(CCl)N1CCN(CCN2C(=O)[C@H](Cl)[C@@H]2c2ccco2)CC1 ZINC000103197051 FD Annotated Reactive Cc1cc(C)c2c(NN/C=C(\C#N)C(=O)Nc3nncs3)n[nH]c2n1 ZINC000103197298 FD Annotated Reactive O=C(Oc1ccc(C[C@H]2NC(=S)NC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000103199630 FD Annotated Bother O=C(Oc1ccc(C[C@@H]2NC(=S)NC2=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000103199632 FD Annotated Bother CCn1cc(C(=O)N/N=C/c2ccc(O)cc2O)c(=O)c2ccc(C)nc21 ZINC000103202348 FD Annotated Reactive CN1C(=O)C(C(=O)/C=C/c2coc3ccccc3c2=O)C(=O)N(C)C1=O ZINC000103202591 FD Annotated Mild Cc1ccc2occ(/C=C/C(=O)C3C(=O)N(C)C(=O)N(C)C3=O)c(=O)c2c1 ZINC000103202593 FD Annotated Mild CN1C(=O)C(c2cc(-c3coc4ccccc4c3=O)[nH]n2)C(=O)N(C)C1=O ZINC000103202798 FD Annotated Anodyne CC(=O)/C(=N/O)C(=O)c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1Cl ZINC000103205326 FD Annotated Mild CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(Cl)nn1)SC ZINC000103207705 FD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCC)nn1)SC ZINC000103207711 FD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(OCC)nn1)C(C)C ZINC000103209045 FD Annotated Reactive Cc1nn(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccco1 ZINC000103210404 FD Annotated Bother N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc(Cl)cc1 ZINC000103210950 FD Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc(Cl)cc1 ZINC000103210953 FD Annotated Reactive COc1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103210961 FD Annotated Reactive COc1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 ZINC000103210962 FD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC)nc1)SC ZINC000103216711 FD Annotated Reactive Cc1nn(Cc2nnc(S)n2-c2ccccc2)c(=O)n1Cc1ccco1 ZINC000103217382 FD Annotated Anodyne O=c1c2cnn(-c3ccccc3)c2nc2sc(CN3CCOCC3)nn12 ZINC000103219953 FD Annotated Anodyne CC1=NN(CC(=O)N/N=C/c2ccc(Br)cc2)C(=O)CC1 ZINC000103220238 FD Annotated Reactive CCCS(=O)(=O)n1nc(Cc2ccccc2)n(Cc2ccco2)c1=O ZINC000103220775 FD Annotated Anodyne N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@@H]1NC(=O)Nc1ccccc1 ZINC000103221244 FD Annotated Reactive N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1NC(=O)Nc1ccccc1 ZINC000103221246 FD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OC)nc1)SC ZINC000103222723 FD Annotated Reactive CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N(C)C)nc1)SC ZINC000103222741 FD Annotated Reactive COc1cc(OC)c(OC)cc1/C=N/n1c(S)nnc1-c1cnccn1 ZINC000103225629 FD Annotated Mild COc1cc(/C=N/n2c(S)nnc2-c2cnccn2)cc(OC)c1OC ZINC000103225631 FD Annotated Mild O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1ccccc1 ZINC000103225668 FD Annotated Reactive O=C(Cn1nnnc1-c1ccc2c(c1)OCO2)N/N=C/c1cccs1 ZINC000103225679 FD Annotated Reactive CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)N1CCCCC1 ZINC000103227223 FD Annotated Anodyne CCOC(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2NCCNC(=O)c1cccs1 ZINC000103228765 FD Annotated Anodyne CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)/C(=C/c1ccccc1)NC2=O ZINC000103230941 FD Annotated Anodyne Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccccc3)c2C)c(N)n1 ZINC000103231827 FD Annotated Reactive Cc1ccc(/C=N/NC(=O)c2nnn(Cc3cnc(C)nc3N)c2C)cc1 ZINC000103231860 FD Annotated Reactive Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(F)cc3)c2C)c(N)n1 ZINC000103231893 FD Annotated Reactive Cc1cccc(/C=N/NC(=O)c2nnn(Cc3cnc(C)nc3N)c2C)c1 ZINC000103231897 FD Annotated Reactive OC[C@H]1[C@@H]2C[C@H](n3cnc4c(N5CCOCC5)ncnc43)[C@H]1C[C@@H]2Cl ZINC000103232011 FD Annotated Reactive O=C(CSc1nnc(-c2ccncc2)o1)N/N=C/c1ccc(O)c(O)c1 ZINC000103232045 FD Annotated Reactive O=CNN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O ZINC000103233920 FD Annotated Anodyne Cc1c(O)c(O)c2c(c1C=O)[C@@H]1O[C@H](O2)c2c(C)c(O)c(O)c(O)c2C1=O ZINC000103236193 FD Annotated Clean NC(=O)c1cc(-c2cc(N)cc3[nH]ncc23)cc2c(C#CCCO)n[nH]c12 ZINC000103236225 FD Annotated Mild CC(=O)Nc1nc(C(=O)Nc2cnc(N)nc2N2CCCCC2)cs1 ZINC000103237647 FD Annotated Anodyne Cc1ccnc(/C(N)=N/NC(=S)N2CCN(c3ccccn3)CC2)c1 ZINC000103237877 FD Annotated Mild COC(=O)CNC(=O)c1c(NO)cc(-c2ccc(Cl)cc2)oc1=O ZINC000103238565 FD Annotated Anodyne C=C1[C@H]2C[C@@]3(C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]3[C@@H]3O[C@@H]32)[C@@H]1O ZINC000103239255 FD Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/CN(CCC[C@@H](C(=O)O)[N+](C)(C)C)C(=N)N ZINC000103241333 FD Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/CN(CCC[C@@H](C(=O)O)[N+](C)(C)C)C(=N)N ZINC000103241335 FD Annotated Mild COc1ccccc1Nc1nc(N)nc(C(=O)NNc2ccccc2)n1 ZINC000103241507 FD Annotated Reactive C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCOCC2)c1O ZINC000103242077 FD Annotated Reactive C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(C)CC2)c1O ZINC000103242082 FD Annotated Reactive CC(C)N1CCN(C(=O)N2CC3(CCN(C4CCOCC4)CC3)C2)CC1 ZINC000103243049 FD Annotated Anodyne CCOC(=O)CCNC(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O ZINC000103243252 FD Annotated Clean O=C([C@H]1CC12CCN(C1CCC1)CC2)N1CCN(C2CCOCC2)CC1 ZINC000103244102 FD Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCC1)CC2)N1CCN(C2CCOCC2)CC1 ZINC000103244103 FD Annotated Anodyne CCOC(=O)C/C(=N\N=C1/NCCN1c1ccc(C)cc1)C(=O)OCC ZINC000103247525 FD Annotated Mild COc1ccc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)cc1O ZINC000103247616 FD Annotated Bother COc1cc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)ccc1O ZINC000103247621 FD Annotated Bother O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1ccc([N+](=O)[O-])o1 ZINC000103247628 FD Annotated Bother Cc1c(Cn2cc(C(=O)NCCF)c3ncccc32)ncnc1N(C)C ZINC000103248980 FD Annotated Anodyne O=S(=O)(CCN1CCOCC1)NCc1ccc(Br)cc1 ZINC000103249026 FD Annotated Anodyne COc1ncc2cc(C(=O)Nc3cc(C(N)=O)ccc3Cl)c(=O)[nH]c2n1 ZINC000103250289 FD Annotated Anodyne C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccs2)n(C)c1=O ZINC000103251215 FD Annotated Mild C#CCn1c(=O)c2c(nc3n2CCCN3CCc2cccs2)n(C)c1=O ZINC000103251234 FD Annotated Mild CCn1c(=O)c2c(nc3n2CCCN3c2ccc(O)cc2)n(CC)c1=O ZINC000103251249 FD Annotated Anodyne C=CC(=O)Nc1ccnc(Sc2c(C)nc(N3CCOCC3)nc2C)n1 ZINC000103254910 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccc4ncnn4c3)c(F)c2)C(=O)O1 ZINC000103255128 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3ccn4ncnc4c3)c(F)c2)C(=O)O1 ZINC000103255130 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cn2cc(nn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260921 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cn2cc(nn2)CCCCOc2ccc(Cl)c1c2 ZINC000103260923 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(nn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260928 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(nn2)CCCCOc2ccc(Cl)c1c2 ZINC000103260931 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260933 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc1c(Cl)c2 ZINC000103260937 FD Annotated Anodyne O=C1N[C@@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1c2 ZINC000103260939 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C/COc2ccc(Cl)c1n2 ZINC000103260946 FD Annotated Anodyne N#Cc1cccc(NC(=O)NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000103262015 FD Annotated Mild NC(Cc1ccc(Cl)c(Cl)c1)(P(=O)(O)O)P(=O)(O)O ZINC000103263976 FD Annotated Anodyne O=C(O)CNC(=O)C1=C(O)c2ccc(Cl)cc2C2(CCOCC2)C1=O ZINC000103265035 FD Annotated Mild O=C(O)CNC(=O)c1c(O)cc(-c2cc(F)cc(Cl)c2)c2ncnn12 ZINC000103265060 FD Annotated Anodyne CCN(CC)CCOc1ccc(-c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 ZINC000103269584 FD Annotated Anodyne COC(=O)c1nnc(C(=O)OC)c(-c2ccc3cc(OC)ccc3n2)n1 ZINC000103269692 FD Annotated Anodyne CSc1nc2ccc(C(N)=O)cn2c(=N)c1S(=O)(=O)c1ccccc1 ZINC000103270608 FD Annotated Anodyne O=C(CC1=N[C@@H]2CCCC[C@@H]2NC1=O)NNC(=S)Nc1ccccc1 ZINC000103272628 FD Annotated Reactive O=C(CC1=N[C@H]2CCCC[C@@H]2NC1=O)NNC(=S)Nc1ccccc1 ZINC000103272630 FD Annotated Reactive O=C(CC1=N[C@@H]2CCCC[C@H]2NC1=O)NNC(=S)Nc1ccccc1 ZINC000103272631 FD Annotated Reactive O=C(CC1=N[C@H]2CCCC[C@H]2NC1=O)NNC(=S)Nc1ccccc1 ZINC000103272633 FD Annotated Reactive CC(C)[C@@H]1[C@H](O)[C@@H]2[C@@]3(O)[C@H](OC[C@@]13C)[C@@H]1[C@H](C)CC[C@]1(O)[C@]2(C)CO ZINC000103272885 FD Annotated Anodyne CC(C)[C@@H]1[C@H](O)[C@@H]2[C@@]3(O)[C@H](OC[C@@]13C)[C@@H]1[C@H](C)CC[C@]1(O)[C@@]2(C)CO ZINC000103272888 FD Annotated Anodyne CCOC(=O)CN1C(=O)S[C@@H](Cc2ccc(OC(C)=O)cc2)C1=O ZINC000103272984 FD Annotated Anodyne CCOC(=O)CN1C(=O)S[C@H](Cc2ccc(OC(C)=O)cc2)C1=O ZINC000103272987 FD Annotated Anodyne CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)C(=O)N2C=C1 ZINC000103278687 FD Annotated Reactive CCOP(=O)(OCC)[C@H](O)CCn1cc(Cn2ccccc2=O)nn1 ZINC000103279798 FD Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2ccccc2=O)nn1 ZINC000103279799 FD Annotated Anodyne CCOP(=O)(OCC)[C@H](O)Cn1cc(Cn2ccccc2=O)nn1 ZINC000103279853 FD Annotated Anodyne CCOP(=O)(OCC)[C@@H](O)Cn1cc(Cn2ccccc2=O)nn1 ZINC000103279856 FD Annotated Anodyne CCOP(=O)(C[C@H](O)Cn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103279894 FD Annotated Anodyne CCOP(=O)(C[C@@H](O)Cn1cc(Cn2ccccc2=O)nn1)OCC ZINC000103279896 FD Annotated Anodyne N=C(N)NS(=O)(=O)c1ccc(NNc2ncnc3ccccc23)cc1 ZINC000103286107 FD Annotated Anodyne Cc1ccn2nc(S(=O)(=O)Nc3c(C#N)ccc4cccnc34)nc2n1 ZINC000103286344 FD Annotated Mild Cc1ccn2nc(S(=O)(=O)Nc3c(F)ccc4cccnc34)nc2n1 ZINC000103286355 FD Annotated Anodyne CCc1c(OC)cc2c(c1O)C(=O)C[C@@]1(OC)O[C@@H](C(=O)OC)C[C@@]21O ZINC000103290880 FD Annotated Anodyne C[C@@H](CCC(=O)O)N1Cc2c(cc3c(c2O)C[C@@H]([C@@H](C)C(=O)O)O3)C1=O ZINC000103291154 FD Annotated Clean C[C@@H](CCC(=O)O)N1Cc2c(cc3c(c2O)C[C@H]([C@@H](C)C(=O)O)O3)C1=O ZINC000103291156 FD Annotated Clean C[C@@H](C(=O)O)[C@@H]1Cc2c(cc3c(c2O)CN([C@H](C)CCC(=O)O)C3=O)O1 ZINC000103291159 FD Annotated Clean C[C@@H](C(=O)O)[C@H]1Cc2c(cc3c(c2O)CN([C@H](C)CCC(=O)O)C3=O)O1 ZINC000103291161 FD Annotated Clean COC(=O)N(C[C@@H]1CCOC1)/C(=N/[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000103291772 FD Annotated Mild COC(=O)N(C[C@H]1CCOC1)/C(=N/[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000103291774 FD Annotated Mild CCOC(=O)C[C@H](Nc1ccco1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103295172 FD Annotated Anodyne CCOC(=O)C[C@@H](Nc1ccco1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103295174 FD Annotated Anodyne CCCCCCCN[C@@H](CC(=O)NO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103296930 FD Annotated Mild CCCCCCCN[C@H](CC(=O)NO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103296932 FD Annotated Mild COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1OC ZINC000103296959 FD Annotated Reactive COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1OC ZINC000103296961 FD Annotated Reactive COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1OC ZINC000103296963 FD Annotated Reactive COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccncc2)cc1OC ZINC000103296965 FD Annotated Reactive O=C(NCCC(=O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298122 FD Annotated Anodyne O=C(NC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298140 FD Annotated Anodyne O=C(NC[C@H](O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298142 FD Annotated Anodyne O=C(NCC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298152 FD Annotated Anodyne O=C(NCC[C@H](O)c1cnc2ncccn12)c1cc(Br)c[nH]1 ZINC000103298153 FD Annotated Anodyne O=C1CCC2=C1[C@@H](c1csc([N+](=O)[O-])c1)C1=C(CCS1(=O)=O)N2 ZINC000103302842 FD Annotated Mild O=C1CCC2=C1[C@H](c1csc([N+](=O)[O-])c1)C1=C(CCS1(=O)=O)N2 ZINC000103302847 FD Annotated Mild O=C1CCCC2=C1[C@H](c1ccc3nonc3c1)C1=C(CCS1(=O)=O)N2 ZINC000103303455 FD Annotated Mild O=C1CCC2=C1[C@@H](c1ccc([N+](=O)[O-])s1)C1=C(CCS1(=O)=O)N2 ZINC000103303485 FD Annotated Mild O=C1CCC2=C1[C@H](c1ccc([N+](=O)[O-])s1)C1=C(CCS1(=O)=O)N2 ZINC000103303486 FD Annotated Mild CCN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000103461836 FD Annotated Reactive O=NC1=c2cc/c(=c3/nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2CC1 ZINC000103524237 FD Annotated Anodyne O=NC1=c2cc/c(=c3\nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2CC1 ZINC000103524240 FD Annotated Anodyne CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(C=O)C(C(=O)O)=C3C1 ZINC000103524842 FD Annotated Mild in-vitro biogenic CNC(=N)N1C=C[C@H]2C=C[C@@H]3[C@@H](O)C(C(=O)O)=C4C[C@H]5CC[C@@H](C)[C@]43[C@@]25C1 ZINC000103524898 FD Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](N)c1nc(Cc2c[nH]c3cccc(F)c23)c(O)n1CC(=O)O ZINC000103526973 FD Annotated Anodyne O=C(Cn1ncc2c3ccccc3nc-2c1O)N1CCC2(CC1)OCCO2 ZINC000103536214 FD Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)Cn1ncc2c3ccccc3nc-2c1O ZINC000103536248 FD Annotated Anodyne CCN1CCC[C@H]1CNC(=O)Cn1ncc2c3ccccc3nc-2c1O ZINC000103536254 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000103548830 FD Annotated Mild in-vitro biogenic CO[C@H]1C[C@]2(O)[C@H]3C[C@@H]4[C@@]5([C@@H](OC)CC[C@@]4(C)C=N[C@@H]35)[C@@H]3C[C@H]1[C@H](O)[C@@H]32 ZINC000103550716 FD Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C/C(C)=C/[C@@H](O)C/C(C)=C/[C@H]2OC(=O)[C@](O)(CCl)[C@@H]21 ZINC000103554557 FD Annotated Reactive in-vitro biogenic C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@@H]2[C@@H](C(=O)CC(=O)[C@@H]2Cl)C(=O)O1 ZINC000103555314 FD Annotated Reactive C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]2[C@@H](C(=O)CC(=O)[C@@H]2Cl)C(=O)O1 ZINC000103555321 FD Annotated Reactive C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]2[C@@H](Cl)C(=O)CC(=O)[C@@H]2C(=O)O1 ZINC000103555326 FD Annotated Reactive C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@@H]2[C@@H](Cl)C(=O)CC(=O)[C@@H]2C(=O)O1 ZINC000103555330 FD Annotated Reactive C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000103556245 FD Annotated Mild in-vitro biogenic C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@]1(O)[C@@H]2CO3 ZINC000103557414 FD Annotated Anodyne in-vitro biogenic C/C1=C\[C@@]23O[C@@]2(C[C@H](C)[C@@H]3C)C(=O)[C@H](C)[C@H](O)[C@@H]2[C@H]([C@H](O)[C@@H]1O)C2(C)C ZINC000103558743 FD Annotated Anodyne in-vitro biogenic C/C=C1/CN[C@@H]2C[C@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@]21Nc1ccccc13 ZINC000103561188 FD Annotated Anodyne in-vitro biogenic CC1=CCC[C@@H]2[C@@]3(CC/C(=C/CO)CO)CO[C@]2([C@@H](O)C[C@H]3C)[C@@H]1O ZINC000103566863 FD Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@H](O)[C@@]23C[C@](C)(O)C=CC[C@@H]2[C@@]1(CC/C(=C/CO)CO)CO3 ZINC000103566867 FD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H]2CC[C@@]3(C)CO[C@H](O2)[C@@H]13 ZINC000103568348 FD Annotated Mild in-vitro biogenic CC[C@@]1(CO)N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000103581048 FD Annotated Anodyne in-vitro biogenic CON1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H]3[C@@H](CO1)[C@@H]1[C@@H]2[C@@]3([C@@H](C)O)CN1C ZINC000103581899 FD Annotated Anodyne in-vitro biogenic CC[C@]1(O)CN[C@@H]2C[C@@]3(C(=O)[C@@H](OC)c4ccccc43)[C@H]3C[C@H]1[C@H]2CO3 ZINC000103581916 FD Annotated Anodyne in-vitro biogenic C/C=C1\CN(C)[C@@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@]1(O)[C@H]2CO3 ZINC000103581967 FD Annotated Anodyne in-vitro biogenic C/C=C1/CN[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000103582113 FD Annotated Anodyne in-vitro biogenic C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000103585906 FD Annotated Mild in-vitro biogenic CC(C)[C@@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O ZINC000103587077 FD Annotated Anodyne in-vitro biogenic CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O ZINC000103587079 FD Annotated Anodyne in-vitro biogenic CC(C)[C@@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O ZINC000103587087 FD Annotated Anodyne in-vitro biogenic CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O ZINC000103587097 FD Annotated Anodyne in-vitro biogenic C/C=C1/CN2[C@@H]3C[C@@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccccc4N[C@H]32)[C@H]1O ZINC000103587356 FD Annotated Anodyne in-vitro biogenic COC(=O)[C@]12C[C@]3(C=CCN4C[C@@H](O)[C@]5(c6ccccc6N[C@H]15)[C@@H]43)[C@@H](C)O2 ZINC000103587361 FD Annotated Anodyne in-vitro biogenic CC(=O)Nc1cc(I)nc(S(=O)(=O)Cl)c1 ZINC000103604943 FD Annotated Unstable COC(=O)c1cc(I)nc(S(=O)(=O)Cl)c1 ZINC000103604950 FD Annotated Unstable CC(=O)Nc1cc(I)cc(S(=O)(=O)Cl)n1 ZINC000103605333 FD Annotated Unstable COC(=O)c1cc(I)cc(S(=O)(=O)Cl)n1 ZINC000103605341 FD Annotated Unstable CC(=O)Nc1cc(S(=O)(=O)Cl)cc(I)n1 ZINC000103605623 FD Annotated Unstable COC(=O)c1cc(S(=O)(=O)Cl)cc(I)n1 ZINC000103605631 FD Annotated Unstable COC(=O)CSc1nc2n(-c3ccc(Cl)cc3)[nH]cc-2c(=O)n1 ZINC000103693899 FD Annotated Anodyne O=C(CSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1)N1CCOCC1 ZINC000103693936 FD Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)c(=O)n2[nH]1 ZINC000103695788 FD Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(Cl)s3)c(=O)n2[nH]1 ZINC000103695820 FD Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(C)c(C)c3)c(=O)n2[nH]1 ZINC000103695828 FD Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c(=O)n2[nH]1 ZINC000103695834 FD Annotated Anodyne CCc1nc2nc(C)c(NS(=O)(=O)c3ccc(F)cc3)c(=O)n2[nH]1 ZINC000103695838 FD Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(Cl)s3)c(=O)n2[nH]1 ZINC000103695846 FD Annotated Anodyne Cc1nc2nc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c(=O)n2[nH]1 ZINC000103695864 FD Annotated Anodyne CCCN1CCN(C(=O)Cn2[nH]cc3c4cc(C)ccc4nc-3c2=O)CC1 ZINC000103710520 FD Annotated Anodyne O=C(NC1CCCC1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1 ZINC000103743371 FD Annotated Anodyne Cc1ccn2c(O)c(C(=O)NCCCN3C[C@@H](C)C[C@@H](C)C3)c(=O)nc2c1 ZINC000103747817 FD Annotated Anodyne Cc1ccn2c(O)c(C(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)c(=O)nc2c1 ZINC000103747822 FD Annotated Anodyne Cc1ccn2c(O)c(C(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)c(=O)nc2c1 ZINC000103747827 FD Annotated Anodyne CCCCOC(=O)c1ccc(N/N=C2\C(=O)NC(=O)C(C#N)=C2C)cc1 ZINC000103753163 FD Annotated Reactive CC1=CC(NN/C=C2\C=CC(=O)C(C)=C2O)=N/C(=C2/C=CC=CC2=O)N1 ZINC000103764098 FD Annotated Mild O=C(Cc1cccc2ccccc12)NN/C=c1/ccc2c(n1)C(=O)C=CC=2 ZINC000103790716 FD Annotated Reactive NC1=Nn2c(nc(-c3ccccc3)cc2=O)/C1=N/Nc1ccc2c(c1)OCO2 ZINC000103805610 FD Annotated Mild COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1C(=O)O[C@H]1CCCCC1=O ZINC000103881439 FD Annotated Anodyne CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]12CO2 ZINC000103885658 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@]1(C)[C@@H](OC(=O)/C(C)=C/C)C[C@@H]3O[C@@]3(C)[C@H]21 ZINC000103886336 FD Annotated Mild CC1=NC=C(CO)/C(=C/NNC(=S)Nc2cccc(Cl)c2)C1=O ZINC000103915455 FD Annotated Mild CN1C(=O)/C(=N\NC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000103916042 FD Annotated Reactive COc1ccc(NC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)c(OC)c1 ZINC000103917484 FD Annotated Mild O=C(NCc1ccc2c(c1)OCO2)C1=C/C(=C2/C=C(Cl)C=CC2=O)NN1 ZINC000103918007 FD Annotated Mild COC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccc(OC)c(OC)c2)C=C1 ZINC000103918445 FD Annotated Mild C/C(NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])=C1/C=CC=CC1=O ZINC000103919095 FD Annotated Mild Cc1ccc(Cn2[nH]nc3c(=O)nc(C(=O)NCc4ccco4)nc2-3)cc1 ZINC000103950562 FD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000103955769 FD Annotated Clean COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000103967705 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000103969142 FD Annotated Anodyne Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCCN3CCOCC3)cc1-2 ZINC000103970735 FD Annotated Anodyne C/C(NNC(=O)CN(c1ccccc1)S(C)(=O)=O)=C1/C=CC=CC1=O ZINC000103980634 FD Annotated Reactive CCc1nnc(NC(=O)CSC2=N/C(=C3/C=CC=CC3=O)NN2)s1 ZINC000104004402 FD Annotated Mild O=C1C(=O)N(CCOCCO)[C@@H](c2ccccn2)/C1=C(\O)c1ccccc1 ZINC000104005033 FD Annotated Mild O=C1C(=O)N(CCOCCO)[C@H](c2ccccn2)/C1=C(\O)c1ccccc1 ZINC000104005038 FD Annotated Mild COc1cc(NC(=O)[C@@H]2C/C(=C3/C=CC=CC3=O)NO2)cc(OC)c1OC ZINC000104006497 FD Annotated Mild COc1cc(NC(=O)[C@H]2C/C(=C3/C=CC=CC3=O)NO2)cc(OC)c1OC ZINC000104006502 FD Annotated Mild CC1=Nc2ccccc2/C1=C/NNC(=O)CNC(=O)COc1ccccc1 ZINC000104006937 FD Annotated Reactive N#CC1=C(Nc2ccccc2)/C(=C/NCCN2CCOCC2)C=NC1=O ZINC000104008057 FD Annotated Reactive CC1=C/C(=N\Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C(=O)C=C1 ZINC000104009550 FD Annotated Mild COCCNC(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104010656 FD Annotated Anodyne COCCNC(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F ZINC000104010661 FD Annotated Anodyne COCCNC(=O)C1=CNN2C1=N[C@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104010665 FD Annotated Anodyne COCCNC(=O)C1=CNN2C1=N[C@@H](c1ccco1)C[C@H]2C(F)(F)F ZINC000104010669 FD Annotated Anodyne CN1C(SCC(=O)NC[C@@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104013367 FD Annotated Anodyne CN1C(SCC(=O)NC[C@H]2CCCO2)=NN/C1=C1\C=Nc2ccccc21 ZINC000104013371 FD Annotated Anodyne C/C(NNS(=O)(=O)c1ccc(C)cc1)=C1\C(=O)Oc2ccccc2C1=O ZINC000104017217 FD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000104017694 FD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12 ZINC000104017701 FD Annotated Mild C=CCN1C(SCC(N)=O)=NN/C1=C1/C=C(Br)C=CC1=O ZINC000104019471 FD Annotated Mild CC(=O)Nc1ccc(NC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)cc1 ZINC000104019692 FD Annotated Mild C/C(NNC(=O)c1ccc(N2CCCC2=O)cc1)=C1/C=CC(=O)C=C1O ZINC000104023085 FD Annotated Reactive CN1C(SCC(=O)NCc2cccs2)=NNC1=C1C=CC(=O)C=C1 ZINC000104024749 FD Annotated Mild COC1=CC(=C2NN=C(SCc3cccnc3)N2C)C=C(OC)C1=O ZINC000104024756 FD Annotated Mild COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC=CC3=O)NN2)cc1OC ZINC000104027776 FD Annotated Mild Cn1ncc(N/C=C2\C(=O)C=Cc3ccccc32)c1C(=O)N1CCOCC1 ZINC000104030806 FD Annotated Mild CC1=CN=C(NS(=O)(=O)c2ccc(N)cc2)N/C1=C1/C=CC=CC1=O ZINC000104031793 FD Annotated Mild CN1C(=O)[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000104072161 FD Annotated Anodyne CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000104072170 FD Annotated Anodyne Cc1nc2nc[nH]n2c(=O)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000104113155 FD Annotated Anodyne CCc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1 ZINC000104206862 FD Annotated Anodyne C[C@@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364573 FD Annotated Anodyne in-man C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364576 FD Annotated Anodyne in-man C[C@@H](CO)[C@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364581 FD Annotated Anodyne in-man C[C@H](CO)[C@H]1C[C@H]2[C@@]3(O)[C@H]4O[C@](O)(C[C@]2(C)[C@H]2CC[C@@](C)(O)[C@H]42)[C@@]13C ZINC000104364583 FD Annotated Anodyne in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365935 FD Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]12CCC[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365941 FD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@]12CC=C[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365950 FD Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@]12CC=C[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000104365953 FD Annotated Mild in-man CC(C)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@H](C)[C@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104366026 FD Annotated Anodyne in-man CC(C)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@@H](C)[C@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104366029 FD Annotated Anodyne in-man CC(C)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@H](C)[C@@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104366033 FD Annotated Anodyne in-man CC(C)[C@@H]1C[C@H]2[C@]3(C)C[C@]4(O)O[C@H]([C@@H]5[C@@H](C)[C@@H](O)C[C@]53O)[C@@]2(O)[C@@]14C ZINC000104366037 FD Annotated Anodyne in-man CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@]24O ZINC000104366495 FD Annotated Mild in-man endogenous CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@]24O ZINC000104366499 FD Annotated Mild in-man endogenous CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@@]24O ZINC000104366502 FD Annotated Mild in-man endogenous CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@@]24O ZINC000104366506 FD Annotated Mild in-man endogenous C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104371612 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104371615 FD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104383315 FD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104383317 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000104383604 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000104383615 FD Annotated Mild in-man CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NC12CN3CN(CN(C3)C1)C2 ZINC000104435459 FD Annotated Clean COCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000104470117 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000104558798 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000104558803 FD Annotated Mild C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000104570226 FD Annotated Anodyne COc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCNCC3)=C(O)C2)cc1 ZINC000104696019 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000104877552 FD Annotated Mild in-man endogenous C[C@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O ZINC000104881768 FD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O ZINC000104881771 FD Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)C(=O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@@]1(C(=O)C=O)CO1 ZINC000104891040 FD Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@H](OC1=O)[C@H]23 ZINC000105159115 FD Annotated Bother C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@H](OC1=O)[C@H]23 ZINC000105159121 FD Annotated Bother C=C1[C@@H]2C[C@]3([C@H](C[C@@H]2O)[C@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@@H]45)[C@@H]1O ZINC000105320188 FD Annotated Mild OC[C@H](O)[C@H](O)[C@H](O)[C@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000105481939 FD Annotated Anodyne OC[C@H](O)[C@H](O)[C@@H](O)[C@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000105481943 FD Annotated Anodyne C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)C1=CCOC1=O ZINC000105484860 FD Annotated Mild CCOC(=O)N1[C@H]2C=C(C)[C@H]([C@@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 ZINC000105488706 FD Annotated Anodyne CO[C@@H]1[C@H](O)c2coc3c2[C@](C)(c2ccc4c(c2C3=O)CCC4=O)[C@H]1O ZINC000105512361 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000105519821 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000105519824 FD Annotated Anodyne C=C[C@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000105530018 FD Annotated Mild C=C[C@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@@H]1[C@H]1COC(C)(C)O1 ZINC000105530020 FD Annotated Mild COc1cccc(CN2C[C@@H](O)CN(C(=O)C(C)(C)C)CC2=O)c1OC ZINC000105847805 FD Annotated Anodyne COc1cccc(CN2C[C@H](O)CN(C(=O)C(C)(C)C)CC2=O)c1OC ZINC000105847808 FD Annotated Anodyne COc1cccc(CN2C[C@H](O)CN(C(=O)C3CCC3)CC2=O)c1OC ZINC000105847876 FD Annotated Anodyne COc1cccc(CN2C[C@@H](O)CN(C(=O)C3CCC3)CC2=O)c1OC ZINC000105847882 FD Annotated Anodyne N#CCCN1C[C@@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O ZINC000105851023 FD Annotated Anodyne N#CCCN1C[C@H](O)CN(C(=O)c2cccc(C(F)(F)F)c2)CC1=O ZINC000105851027 FD Annotated Anodyne CNC(=O)c1cccnc1N1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000107008282 FD Annotated Anodyne CC(C)C(=O)N1CCC2(CC1)NC(=O)[C@H]1CN(Cc3cccnc3)C[C@H]12 ZINC000107180149 FD Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000108394556 FD Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000108394559 FD Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000108394561 FD Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000108394564 FD Annotated Anodyne N[C@@H]1CCN2c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3COC[C@H]12 ZINC000113151286 FD Annotated Anodyne in-vitro CO[C@H]1C(=O)c2coc3c2[C@@](C)(c2ccc4c(c2C3=O)CCC4=O)[C@@H]1O ZINC000113213870 FD Annotated Anodyne CC(=O)N[C@@H](C)Cc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000113409480 FD Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2cnc(N3CCOCC3)nc2)cc1 ZINC000113409483 FD Annotated Mild COC1CN(c2nccc(C#Cc3ccc(C[C@@H](C)NC(C)=O)cc3)n2)C1 ZINC000113409568 FD Annotated Mild COC1CN(c2nccc(C#Cc3ccc(C[C@H](C)NC(C)=O)cc3)n2)C1 ZINC000113409570 FD Annotated Mild CC(=O)N[C@@H](C)Cc1ccc(C#Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000113410700 FD Annotated Mild CC(=O)N[C@H](C)Cc1ccc(C#Cc2ccnc(N3CCOCC3)n2)cc1 ZINC000113410701 FD Annotated Mild C[C@@H](Oc1nc(-c2ccc(=O)[nH]c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000114020302 FD Annotated Anodyne COCCNS(=O)(=O)c1ccc2nc(-c3c(C)n[nH]c3N)sc2c1 ZINC000114397801 FD Annotated Anodyne COc1cc2sc(-c3c(NCCNC(C)=O)n[nH]c3N)nc2cc1F ZINC000114399180 FD Annotated Anodyne Cc1[nH]nc(N)c1-c1nc2c(F)c(F)c(F)c(S(N)(=O)=O)c2s1 ZINC000114400427 FD Annotated Anodyne Nc1[nH]nc(-c2ccncc2)c1-c1nc2ccc(S(N)(=O)=O)cc2s1 ZINC000114401250 FD Annotated Anodyne CCOC(=O)[C@@H]1CC[C@H](OS(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000114444293 FD Annotated Mild COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)c(OC)c1 ZINC000114577605 FD Annotated Anodyne COc1ccc(NC(=O)N2CCNC[C@H]2COc2cccnc2)c(OC)c1 ZINC000114577607 FD Annotated Anodyne COc1ccc(-c2cccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c23)cc1 ZINC000114875013 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(N)n[nH]c2-3)C(=O)O1 ZINC000011524606 FD Annotated Anodyne CCN(CCO)Cc1cnc(S(=O)(=O)CC(C)(C)C)n1CCOC ZINC000011661969 FD Annotated Anodyne COCCn1c(CN2CCC[C@H]2CO)cnc1S(=O)(=O)CCC(C)C ZINC000011663099 FD Annotated Anodyne COC[C@@H](O)CNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12 ZINC000011663319 FD Annotated Anodyne COC[C@H](O)CNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12 ZINC000011663320 FD Annotated Anodyne CCn1ccnc1CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F ZINC000011664510 FD Annotated Anodyne CCn1ccnc1CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1F ZINC000011664511 FD Annotated Anodyne CC1=C(C(=O)N2CCc3ccc(NC(=O)[C@@H]4CCCO4)cc3C2)OCCO1 ZINC000011703453 FD Annotated Anodyne CC1=C(C(=O)N2CCc3ccc(NC(=O)[C@H]4CCCO4)cc3C2)OCCO1 ZINC000011703463 FD Annotated Anodyne CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000011754090 FD Annotated Anodyne CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000011754091 FD Annotated Anodyne COc1ncccc1C(=O)N1CCC[C@H](CCC(=O)N2CCOCC2)C1 ZINC000011763616 FD Annotated Anodyne COc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCOCC2)C1 ZINC000011763622 FD Annotated Anodyne COC1CCN(C[C@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000011771734 FD Annotated Anodyne COC1CCN(C[C@@]2(O)CCCN(Cc3cccc(F)c3F)C2=O)CC1 ZINC000011771743 FD Annotated Anodyne C#CCN(CC=C)C(=O)c1ccc(-n2cc(NC(=O)COC)cn2)cc1 ZINC000011813294 FD Annotated Mild COc1cccc(-n2cc(CNC(=O)[C@@H]3CCC(=O)N(C4CC4)C3)cn2)c1 ZINC000011816321 FD Annotated Anodyne COc1cccc(-n2cc(CNC(=O)[C@H]3CCC(=O)N(C4CC4)C3)cn2)c1 ZINC000011816322 FD Annotated Anodyne COCc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)o1 ZINC000011816752 FD Annotated Anodyne CCN1CC[C@@]2(CCN(c3nc4nonc4nc3N3CCCCC3)C2)C1 ZINC000011817325 FD Annotated Anodyne CCN1CC[C@]2(CCN(c3nc4nonc4nc3N3CCCCC3)C2)C1 ZINC000011817326 FD Annotated Anodyne CCN1C[C@@H](CN(C)c2nncc(-c3c(OC)cccc3OC)n2)CC1=O ZINC000011838366 FD Annotated Anodyne CCN1C[C@H](CN(C)c2nncc(-c3c(OC)cccc3OC)n2)CC1=O ZINC000011838367 FD Annotated Anodyne Cc1cnc(C)c(-c2ccc3c(c2)C[C@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)n1 ZINC000011871697 FD Annotated Anodyne Cc1cnc(C)c(-c2ccc3c(c2)C[C@@H](CNC(=O)[C@@H]2CCC(=O)N2)O3)n1 ZINC000011871698 FD Annotated Anodyne Cc1cc(C)n(CCN(C)c2nc3nonc3nc2N2CCCCC2)n1 ZINC000011872967 FD Annotated Anodyne C[C@@H](Cc1cccnc1)NC(=O)Cn1nnnc1CN1CCCCCC1 ZINC000011873803 FD Annotated Anodyne C[C@H](Cc1cccnc1)NC(=O)Cn1nnnc1CN1CCCCCC1 ZINC000011873804 FD Annotated Anodyne COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1oc2c(C)c(C)ccc2c1C ZINC000011878375 FD Annotated Anodyne COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1oc2c(C)c(C)ccc2c1C ZINC000011878376 FD Annotated Anodyne CSCCCNC(=O)C[C@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000011879671 FD Annotated Anodyne CSCCCNC(=O)C[C@@H]1C(=O)NCCN1CCCc1ccccc1 ZINC000011879672 FD Annotated Anodyne CCOC(=O)N1CCN(C(=O)c2cc(Cn3ccnc3C(C)C)[nH]n2)CC1 ZINC000011933101 FD Annotated Anodyne COCCNC(=O)CCC1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1 ZINC000011934708 FD Annotated Anodyne C[C@H](c1ccccn1)N(C)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000011936889 FD Annotated Anodyne C[C@@H](c1ccccn1)N(C)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000011936890 FD Annotated Anodyne CSc1ncc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cn1 ZINC000011937107 FD Annotated Anodyne Cc1cnccc1CN(C)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1 ZINC000011937152 FD Annotated Anodyne Cc1cnccc1CN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1 ZINC000011937153 FD Annotated Anodyne CC[C@@H]1CN(CCNC(=O)Cn2cncn2)Cc2cc(OC)ccc2O1 ZINC000011966043 FD Annotated Anodyne CC[C@H]1CN(CCNC(=O)Cn2cncn2)Cc2cc(OC)ccc2O1 ZINC000011966045 FD Annotated Anodyne COc1cccc([C@@]2(CC(=O)N3CCCC[C@@H]3CO)CC(=O)N(C)C2=O)c1 ZINC000011974258 FD Annotated Anodyne COc1cccc([C@]2(CC(=O)N3CCCC[C@@H]3CO)CC(=O)N(C)C2=O)c1 ZINC000011974264 FD Annotated Anodyne COc1cccc([C@@]2(CC(=O)N3CCCC[C@H]3CO)CC(=O)N(C)C2=O)c1 ZINC000011974272 FD Annotated Anodyne COc1cccc([C@]2(CC(=O)N3CCCC[C@H]3CO)CC(=O)N(C)C2=O)c1 ZINC000011974279 FD Annotated Anodyne Cc1cnc(C)c(-c2cccc3c2O[C@H](CNC(=O)Cn2cncn2)C3)n1 ZINC000011977095 FD Annotated Anodyne Cc1cnc(C)c(-c2cccc3c2O[C@@H](CNC(=O)Cn2cncn2)C3)n1 ZINC000011977104 FD Annotated Anodyne Cc1c(C(=O)N2CCNC(=O)C2)sc2ncnc(NCc3ccco3)c12 ZINC000011996423 FD Annotated Anodyne O=C(NCCC1CCCC1)[C@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011997719 FD Annotated Anodyne O=C(NCCC1CCCC1)[C@@H]1CCC(=O)N(CCCN2CCCC2=O)C1 ZINC000011997722 FD Annotated Anodyne O=C1CCCN1CC[C@@H]1CCCCN1Cc1nc(-c2cnccn2)no1 ZINC000011998472 FD Annotated Anodyne O=C1CCCN1CC[C@H]1CCCCN1Cc1nc(-c2cnccn2)no1 ZINC000011998475 FD Annotated Anodyne COCCNc1nc(-c2ccc(O)c(NC=O)c2)cc2ncn(C)c(=O)c12 ZINC000115622105 FD Annotated Anodyne CCNc1nc(-c2ccc(N)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115622316 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)N)cc3)nc(NCCO)c2c1=O ZINC000115622562 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(N3CC(=O)C3)c2c1=O ZINC000115622640 FD Annotated Anodyne C[C@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624092 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(NCCO)nc3)nc(NC3CC3)c2c1=O ZINC000115624105 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCCO)c2c1=O ZINC000115624208 FD Annotated Anodyne CNc1ccc(-c2cc3ncn(C)c(=O)c3c(N3CC[C@H](CO)C3)n2)cc1 ZINC000115624217 FD Annotated Anodyne CN(C)c1nc(-c2ccc(N3CCOCC3)cc2)cc2ncn(C)c(=O)c12 ZINC000115624225 FD Annotated Anodyne COC(=O)Cn1cc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cn1 ZINC000115624423 FD Annotated Anodyne COCCOc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115624529 FD Annotated Anodyne Cn1cnc2cc(-c3cccc(S(N)(=O)=O)c3)nc(NC3CC3)c2c1=O ZINC000115624548 FD Annotated Anodyne CC(C)Nc1nc(-c2ccc(S(N)(=O)=O)cc2)cc2ncn(C)c(=O)c12 ZINC000115624602 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(CN)cc3)nc(N[C@@H]3CCOC3)c2c1=O ZINC000115624833 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCCC#N)c2c1=O ZINC000115625082 FD Annotated Mild CC(=O)Nc1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cn1 ZINC000115625204 FD Annotated Anodyne Cn1cnc2cc(-c3ccc(S(N)(=O)=O)cc3)nc(NC3CC3)c2c1=O ZINC000115625294 FD Annotated Anodyne CC(C)(C)Nc1nc(-c2cnc(N)nc2)cc2ncn(CCO)c(=O)c12 ZINC000115625394 FD Annotated Anodyne CC(C)Nc1nc(-c2cccc(S(N)(=O)=O)c2)cc2ncn(C)c(=O)c12 ZINC000115625440 FD Annotated Anodyne COCCNc1nc(-c2ccc3c(c2)OCCO3)cc2ncn(C)c(=O)c12 ZINC000115625749 FD Annotated Anodyne C[C@@H](CO)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12 ZINC000115626216 FD Annotated Anodyne COCCNc1nc(-c2ccc(/C(N)=N\O)cc2)cc2ncn(C)c(=O)c12 ZINC000115626660 FD Annotated Mild O=c1[nH]c(=O)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2[nH]1 ZINC000115714827 FD Annotated Mild CCn1nccc1NC(=O)c1cc2c(C)nc(N)nc2n(C(C)C)c1=O ZINC000116012530 FD Annotated Anodyne COc1cnc(C)nc1C(=O)N1CC[C@H]2CN(c3nc(C)cc(C)n3)[C@H]2C1 ZINC000116827571 FD Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4OC)C[C@H]3C2)n1 ZINC000116828029 FD Annotated Anodyne COc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4OC)C[C@@H]3C2)n1 ZINC000116828030 FD Annotated Anodyne COc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4OC)C[C@H]3C2)n1 ZINC000116828032 FD Annotated Anodyne CC(C)(CO)c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1 ZINC000116863536 FD Annotated Anodyne NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(=O)CC3)CC1)C2 ZINC000117355987 FD Annotated Anodyne Cc1c(CN2CCC(N3Cc4cccc(C(N)=O)c4C3=O)CC2)cnn1C ZINC000117362657 FD Annotated Anodyne C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ncc[nH]2)CC1 ZINC000117400047 FD Annotated Anodyne C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ncc[nH]2)CC1 ZINC000117400049 FD Annotated Anodyne O=C(O)CNC(=O)c1ncc(-c2cccc(C(=O)N3CCCC3)c2)cc1O ZINC000117533448 FD Annotated Anodyne COc1cc(CN(C)N2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733422 FD Annotated Anodyne COCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118733455 FD Annotated Anodyne COc1cc(CNCCN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3 ZINC000118734213 FD Annotated Anodyne O=C(Cn1cncn1)N[C@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012004832 FD Annotated Anodyne O=C(Cn1cncn1)N[C@@H]1CCCc2c1cnn2-c1cc(F)cc(F)c1 ZINC000012004836 FD Annotated Anodyne O=C(CCn1cncn1)NC[C@@H]1Cc2cc(F)cc(-c3ccccn3)c2O1 ZINC000012028367 FD Annotated Anodyne O=C(CCn1cncn1)NC[C@H]1Cc2cc(F)cc(-c3ccccn3)c2O1 ZINC000012028369 FD Annotated Anodyne CCNC(=O)c1cc(NC(=O)COC)cc2nc(-c3ccncc3)n(C)c12 ZINC000012031992 FD Annotated Anodyne c1csc([C@@H]2CCCN2c2nc3nonc3nc2N2CCOCC2)n1 ZINC000012074394 FD Annotated Anodyne c1csc([C@H]2CCCN2c2nc3nonc3nc2N2CCOCC2)n1 ZINC000012074396 FD Annotated Anodyne C1CCC(N2CCCN(c3nc4nonc4nc3N3CCOCC3)CC2)C1 ZINC000012090321 FD Annotated Anodyne COc1cc(-c2cnnc(NCCc3cnn(C)c3)n2)cc(OC)c1OC ZINC000012090501 FD Annotated Anodyne O=C(CCc1ccc(F)c(F)c1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000012198150 FD Annotated Anodyne CC(=O)NC[C@@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)C1 ZINC000012201009 FD Annotated Anodyne CC(=O)NC[C@H]1CCCN(Cc2cnc(S(C)(=O)=O)n2CC(C)C)C1 ZINC000012201015 FD Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN(Cc2nccs2)C1 ZINC000012203738 FD Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(Cc2nccs2)C1 ZINC000012203745 FD Annotated Anodyne CCN(CC)C(=O)Cn1cc(C(=O)NC[C@H]2CCc3ccccc3O2)nn1 ZINC000012206118 FD Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCC[C@@H](COC)C2)n1CCOC ZINC000012298375 FD Annotated Anodyne CCS(=O)(=O)c1ncc(CN2CCC[C@H](COC)C2)n1CCOC ZINC000012298376 FD Annotated Anodyne C[C@@H](CNC(=O)Cn1nnnc1CN1CCCCCC1)Oc1cccnc1 ZINC000012305110 FD Annotated Anodyne C[C@H](CNC(=O)Cn1nnnc1CN1CCCCCC1)Oc1cccnc1 ZINC000012305113 FD Annotated Anodyne CC(C)c1nccn1Cc1cc(C(=O)N(C)CCc2cnn(C)c2)n[nH]1 ZINC000012305643 FD Annotated Anodyne O=C(c1nc2ccccn2c1CNCCCn1cccn1)N1CCCC1 ZINC000012305769 FD Annotated Anodyne O=S(=O)(CC1CC1)c1ncc(CN2CCCO2)n1C[C@@H]1CCCO1 ZINC000012306553 FD Annotated Anodyne O=S(=O)(CC1CC1)c1ncc(CN2CCCO2)n1C[C@H]1CCCO1 ZINC000012306554 FD Annotated Anodyne Cn1ccnc1SCCNC(=O)c1cn(CCN2CCCCC2)nn1 ZINC000012314457 FD Annotated Anodyne Cc1cccnc1CN(C)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000012319052 FD Annotated Anodyne CCc1[nH]nc2c1C(=O)c1c(NC(=O)CN3CCC(CN)CC3)cccc1-2 ZINC000012355024 FD Annotated Anodyne CCCCn1c(=O)c2nc(CCCC(=O)O)[nH]c2n(CCCC)c1=O ZINC000012405704 FD Annotated Anodyne CCN(Cc1ccncc1)C(=O)Cn1nnnc1CN1CCCCCC1 ZINC000012432508 FD Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012433324 FD Annotated Anodyne O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(Cc2cc[nH]n2)C1 ZINC000012433325 FD Annotated Anodyne CS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CC1CCCCC1 ZINC000012433919 FD Annotated Anodyne CCc1ccc(CN(C)[C@H]2CN(C(=O)c3ccc(OC)cc3)C[C@@H]2O)nc1 ZINC000012435684 FD Annotated Anodyne Cc1cc(C)n(CCCNC(=O)Cn2nnnc2CN2CCCCCC2)n1 ZINC000012438268 FD Annotated Anodyne CCc1nc(CNC(=O)[C@@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)no1 ZINC000012439222 FD Annotated Anodyne CCc1nc(CNC(=O)[C@H]2CCC(=O)N(Cc3cccc(OC)c3)C2)no1 ZINC000012439223 FD Annotated Anodyne O[C@@H]1CCCN(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)C1 ZINC000012455505 FD Annotated Anodyne O[C@H]1CCCN(C2CCN(c3nc4nonc4nc3N3CCCC3)CC2)C1 ZINC000012455508 FD Annotated Anodyne CN(CC1CCOCC1)C(=O)C[C@H]1C(=O)NCCN1CC1CCCCC1 ZINC000012455654 FD Annotated Anodyne CN(CC1CCOCC1)C(=O)C[C@@H]1C(=O)NCCN1CC1CCCCC1 ZINC000012455656 FD Annotated Anodyne CC(C)C1=NO[C@@H](C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)C1 ZINC000012463931 FD Annotated Anodyne CC(C)C1=NO[C@H](C(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)C1 ZINC000012463934 FD Annotated Anodyne C=CC[C@H]1NS(=O)(=O)OC[C@H]1NC(=O)OCC(Cl)(Cl)Cl ZINC000012465757 FD Annotated Mild C=CC[C@H]1NS(=O)(=O)OC[C@@H]1NC(=O)OCC(Cl)(Cl)Cl ZINC000012465763 FD Annotated Mild C=CC[C@@H]1NS(=O)(=O)OC[C@H]1NC(=O)OCC(Cl)(Cl)Cl ZINC000012465768 FD Annotated Mild C=CC[C@@H]1NS(=O)(=O)OC[C@@H]1NC(=O)OCC(Cl)(Cl)Cl ZINC000012465775 FD Annotated Mild CC(=O)OCCC(C)(C)NS(=O)(=O)OCC(Cl)(Cl)Cl ZINC000012466223 FD Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)c1C ZINC000012470857 FD Annotated Reactive CC(C)(C)O[C@@H]1NS(=O)(=O)OC[C@@H]1NCOC(Cl)(Cl)Cl ZINC000012472433 FD Annotated Anodyne CC(C)(C)O[C@H]1NS(=O)(=O)OC[C@@H]1NCOC(Cl)(Cl)Cl ZINC000012472436 FD Annotated Anodyne CC(C)(C)O[C@@H]1NS(=O)(=O)OC[C@H]1NCOC(Cl)(Cl)Cl ZINC000012472441 FD Annotated Anodyne CC(C)(C)O[C@H]1NS(=O)(=O)OC[C@H]1NCOC(Cl)(Cl)Cl ZINC000012472444 FD Annotated Anodyne NS(=O)(=O)OC[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012473297 FD Annotated Anodyne NS(=O)(=O)OC[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000012473303 FD Annotated Anodyne O=C1C[C@H](NS(=O)(=O)c2ccsc2)CN1Cc1ccc(F)cc1 ZINC000012474784 FD Annotated Anodyne O=C1C[C@@H](NS(=O)(=O)c2ccsc2)CN1Cc1ccc(F)cc1 ZINC000012474789 FD Annotated Anodyne COC1=C/C(=C/NNC(=O)CCC(=O)Nc2ccc(F)cc2)C=CC1=O ZINC000012475216 FD Annotated Reactive COC1=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(F)cc2)C(=O)C=C1 ZINC000012475412 FD Annotated Reactive COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCNC(C)=O ZINC000012479537 FD Annotated Anodyne CCn1nc(C)c(CNC(=O)C[C@H]2C(=O)NCCN2CC(C)(C)C)c1C ZINC000012481218 FD Annotated Anodyne CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2CC(C)(C)C)c1C ZINC000012481226 FD Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](c3ccccc3)C[C@H](OCCCCO)O2)CC1 ZINC000012482803 FD Annotated Anodyne COc1ccccc1NC(=O)Cc1noc(CSc2n[nH]c(N)n2)n1 ZINC000012483693 FD Annotated Anodyne C#CCNC(=O)C1=C[C@@H](c2ccc(C#C)cc2)C[C@@H](OCCCCO)O1 ZINC000012487706 FD Annotated Mild COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000012495699 FD Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497262 FD Annotated Anodyne Cc1csc(N[C@@H](CO)c2nc3ccccc3n2CCOCCO)n1 ZINC000012507219 FD Annotated Anodyne Cc1csc(N[C@H](CO)c2nc3ccccc3n2CCOCCO)n1 ZINC000012507221 FD Annotated Anodyne CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O ZINC000012538819 FD Annotated Anodyne CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(OC)nc2)C1=O ZINC000012538821 FD Annotated Anodyne COc1ccc(N2CCN([C@@H](C)C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012550780 FD Annotated Clean Cn1nc([N+](=O)[O-])c([C@@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O ZINC000012569746 FD Annotated Mild CN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)C1CCOCC1 ZINC000012572713 FD Annotated Anodyne CN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)C1CCOCC1 ZINC000012572718 FD Annotated Anodyne COc1ccc(CCN2C[C@@H](C(=O)NCCc3cn[nH]c3)CCC2=O)cc1 ZINC000012581092 FD Annotated Anodyne COc1ccc(CCN2C[C@H](C(=O)NCCc3cn[nH]c3)CCC2=O)cc1 ZINC000012581101 FD Annotated Anodyne CN(C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCOCC1 ZINC000012584194 FD Annotated Anodyne CN(C[C@]1(O)CCCN(Cc2ccccc2F)C1=O)C1CCOCC1 ZINC000012584197 FD Annotated Anodyne O=C(c1ncccc1O)N1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012586724 FD Annotated Anodyne O=C(c1ncccc1O)N1CC[C@H](C2CCN(c3ncccn3)CC2)C1 ZINC000012586728 FD Annotated Anodyne COC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)s1 ZINC000012633093 FD Annotated Mild COC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)s1 ZINC000012633096 FD Annotated Mild COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccon1 ZINC000012701515 FD Annotated Anodyne COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1ccon1 ZINC000012701521 FD Annotated Anodyne Cc1cc(CNC(=O)[C@@H]2CCC(=O)N(CCc3cccc(F)c3)C2)nn1C ZINC000012708552 FD Annotated Anodyne Cc1cc(CNC(=O)[C@H]2CCC(=O)N(CCc3cccc(F)c3)C2)nn1C ZINC000012708557 FD Annotated Anodyne CCOC(=O)N1CCN(c2nncc(-c3ccc(OC)c(F)c3)n2)CC1 ZINC000012708733 FD Annotated Anodyne O=C1CN(C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCN1 ZINC000012712244 FD Annotated Anodyne O=C1CN(C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CCN1 ZINC000012712251 FD Annotated Anodyne COc1ccc(CNCC2(C)COC2)cc1OC[C@@H](O)CN(C)C(C)C ZINC000012745559 FD Annotated Anodyne COc1ccc(CNCC2(C)COC2)cc1OC[C@H](O)CN(C)C(C)C ZINC000012745563 FD Annotated Anodyne O=C(Cn1cncn1)N1CCO[C@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012754737 FD Annotated Anodyne O=C(Cn1cncn1)N1CCO[C@@H](Cc2cccc(C(F)(F)F)c2)C1 ZINC000012754744 FD Annotated Anodyne O=C(CCc1cnccn1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012760332 FD Annotated Anodyne O=C(CCc1cnccn1)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000012760336 FD Annotated Anodyne c1csc(CNc2nc3nonc3nc2N2CCN3CCC[C@@H]3C2)c1 ZINC000012764176 FD Annotated Anodyne c1csc(CNc2nc3nonc3nc2N2CCN3CCC[C@H]3C2)c1 ZINC000012764181 FD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCN(C)C(=O)CCCn1ccnc1[N+](=O)[O-] ZINC000012999170 FD Annotated Bother O=C1C=C/C(=C/NN/C(=N/c2ccccn2)c2ccccn2)C=C1[N+](=O)[O-] ZINC000013110687 FD Annotated Mild C[C@@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013110823 FD Annotated Anodyne C[C@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013110824 FD Annotated Anodyne C[C@@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013110825 FD Annotated Anodyne O=C(c1ccccc1)N1CCC(=O)N([C@@H](CO)Cc2ccccc2)CC1 ZINC000013111161 FD Annotated Anodyne O=C(c1ccccc1)N1CCC(=O)N([C@H](CO)Cc2ccccc2)CC1 ZINC000013111162 FD Annotated Anodyne CCOc1ccc(N/N=C2\C(=O)Nn3c2nc2c(c3=O)CCCC2)cc1 ZINC000013116658 FD Annotated Mild CCN(CC)S(=O)(=O)c1ccc(/N=N\c2c(N)[nH]c(=O)[nH]c2=O)cc1 ZINC000013118257 FD Annotated Clean COC1=C/C(=C/NNC(=O)CCC(=O)Nc2ccc(C)cc2)C=CC1=O ZINC000013119025 FD Annotated Reactive Cc1ccccc1NC(=O)CCC(=O)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000013119051 FD Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(NN/C=C2\C=CC(=O)C=C2O)nc1 ZINC000013119067 FD Annotated Mild COC1=CC=C/C(=C\NNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)C1=O ZINC000013119072 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)C1=O ZINC000013119073 FD Annotated Reactive CNC(=O)N(O)[C@@H]1N(N/C=C2\C=CC=CC2=O)C(=S)SC1(C)C ZINC000013119080 FD Annotated Mild CNC(=O)N(O)[C@H]1N(N/C=C2\C=CC=CC2=O)C(=S)SC1(C)C ZINC000013119081 FD Annotated Mild Cc1ccc(S(=O)(=O)NN/C=C2/C=CC(=O)C(O)=C2)cc1[N+](=O)[O-] ZINC000013119115 FD Annotated Mild Cc1cccc(NC(=O)CCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)c1 ZINC000013119132 FD Annotated Reactive Cc1ccc(NC(=O)CCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)cc1 ZINC000013119148 FD Annotated Reactive COC1=C/C(=C/NNC(=O)c2[nH]nc3c2CCc2ccccc2-3)C=CC1=O ZINC000013119339 FD Annotated Reactive CC1=NC(=O)NC(=O)/C1=C\NNC(=O)CCc1ccc(OC(C)C)cc1 ZINC000013119358 FD Annotated Reactive COC1=CC=C/C(=C\Nn2c(-c3n[nH]c4c3CCC4)n[nH]c2=S)C1=O ZINC000013119588 FD Annotated Mild COC1=CC(=CNn2c(-c3cc(C)[nH]n3)n[nH]c2=S)C=C(OC)C1=O ZINC000013119632 FD Annotated Mild COC1=C/C(=C/NNC(=O)CC2(C)OCCO2)C=C(Br)C1=O ZINC000013120080 FD Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H](C)Nc2cccc(C)c2)C1=O ZINC000013120266 FD Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H](C)Nc2cccc(C)c2)C1=O ZINC000013120267 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)C1=O ZINC000013120391 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)C1=O ZINC000013120409 FD Annotated Reactive N#C/C(C1=c2cc(Cl)cc(Cl)c2=NC1=O)=C1/NN=C2CCCCCN21 ZINC000013120524 FD Annotated Reactive COC1=CC(=CNNC(=O)c2nc3ccccn3c2C)C=C(OC)C1=O ZINC000013120562 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)COc2cccc3cccnc23)C1=O ZINC000013121957 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CN2C[C@@H](c3ccccc3)CC2=O)C1=O ZINC000013121959 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)CN2C[C@H](c3ccccc3)CC2=O)C1=O ZINC000013121960 FD Annotated Reactive CCn1c(C)nc2cc(C(=O)NN/C=C3\C=CC(=O)C(O)=C3O)ccc21 ZINC000013121969 FD Annotated Reactive CCCOc1ccc(CCC(=O)NN/C=C2\C(=O)NC(=O)N=C2C)cc1 ZINC000013122017 FD Annotated Reactive O=C1C=CC=C/C1=N\c1cc(N2CCOCC2)c2c(c1[N+](=O)[O-])NON2 ZINC000013122098 FD Annotated Mild COC1=C/C(=C(\C)NNC(=O)CSc2nnc(C)s2)C=CC1=O ZINC000013122313 FD Annotated Reactive CCCOC1=CC(=O)/C(=C/NNc2cc(N3CCOCC3)ncn2)C=C1 ZINC000013122591 FD Annotated Mild CCOC1=CC(=O)/C(=C/NNC(=O)c2[nH]ncc2Br)C=C1 ZINC000013122592 FD Annotated Reactive O=C(NN/C=C1\C=C([N+](=O)[O-])C=CC1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000013122644 FD Annotated Reactive CC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H]2COc3ccccc3O2)C1=O ZINC000013122701 FD Annotated Reactive CC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H]2COc3ccccc3O2)C1=O ZINC000013122702 FD Annotated Reactive COC1=C/C(=C/NNC(=O)c2cn(-c3cccc(C)n3)cn2)C=CC1=O ZINC000013122709 FD Annotated Reactive O=C1C=CC(=Nc2cc(N3CCOCC3)c3c(c2[N+](=O)[O-])NON3)C=C1 ZINC000013122799 FD Annotated Mild COC1=C/C(=C/NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C=CC1=O ZINC000013123023 FD Annotated Mild O=C(CNC(=O)c1ccc(F)cc1)NN/C=C1\C=NN=C1c1ccccc1 ZINC000013123146 FD Annotated Reactive C=CCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cc(OC)ccc1OC ZINC000013123650 FD Annotated Mild C=CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cc(OC)ccc1OC ZINC000013123651 FD Annotated Mild COC1=C/C(=C/NNC(=O)c2cccnc2)C=C(Br)C1=O ZINC000013124347 FD Annotated Reactive COC1=C/C(=C/NNC2=NC(=O)[C@@H](Cc3ccccc3)S2)C=CC1=O ZINC000013124897 FD Annotated Mild COC1=C/C(=C/NNC2=NC(=O)[C@H](Cc3ccccc3)S2)C=CC1=O ZINC000013124898 FD Annotated Mild Cn1c(SCC(=O)NN/C=C2/C=CC(=O)C(O)=C2)nc2ccccc21 ZINC000013125601 FD Annotated Reactive O=C1C=CC(=CNNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C=C1 ZINC000013125605 FD Annotated Reactive Cc1cc(C(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)c2ccccc2n1 ZINC000013125654 FD Annotated Reactive COc1ccc(C[C@@H]2SC(NNC=C3C=CC(=O)C=C3)=NC2=O)cc1 ZINC000013125751 FD Annotated Mild COc1ccc(C[C@H]2SC(NNC=C3C=CC(=O)C=C3)=NC2=O)cc1 ZINC000013125752 FD Annotated Mild COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@@H]1c1ccc(C#N)cc1 ZINC000013125869 FD Annotated Mild COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(C#N)cc1 ZINC000013125870 FD Annotated Mild CNC(=S)NN/C=C1\C=C(Br)C=C(Br)C1=O ZINC000013125941 FD Annotated Mild O=C1C=C/C(=C/NNC(=O)c2ccccc2-n2cccc2)C=C1[N+](=O)[O-] ZINC000013125979 FD Annotated Reactive COC1=CC=C/C(=C\NNC(=O)c2[nH]nc3c2CCc2ccccc2-3)C1=O ZINC000013126003 FD Annotated Reactive CCOC1=CC(Br)=C/C(=C\NNC(=O)c2cccnc2)C1=O ZINC000013126110 FD Annotated Reactive Cc1c(C#N)c(O)nc(O)c1/C=N/c1ccc(S(=O)(=O)CCO)cc1 ZINC000013126178 FD Annotated Mild CCOC1=CC(=O)/C(=C/NNc2cc(N3CCOCC3)nc(C)n2)C=C1 ZINC000013130152 FD Annotated Mild COC1=CC=C/C(=C\NNC(=O)CSCC(=O)Nc2ccccc2)C1=O ZINC000013130436 FD Annotated Reactive O=C1C=CC(=CNNc2cc(N3CCCC3)nc(N3CCCC3)n2)C=C1 ZINC000013130552 FD Annotated Mild O=C1C=C/C(=C/NNc2cc(N3CCCC3)nc(N3CCCC3)n2)C=C1O ZINC000013130556 FD Annotated Mild O=C(NCCC1=CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132145 FD Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000013132146 FD Annotated Anodyne C[C@H]1CN(c2snnc2C=C2C(=O)OC(C)(C)OC2=O)C[C@@H](C)O1 ZINC000013133092 FD Annotated Clean CC(C)C[C@@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(C)C)C(=O)[C@H]12 ZINC000013133395 FD Annotated Anodyne CC(C)C[C@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000013133396 FD Annotated Anodyne O=C(CNC(=O)c1cccc(F)c1)N/N=C\c1ccc([N+](=O)[O-])s1 ZINC000013138686 FD Annotated Reactive COc1cc(OC)c(OC)cc1/C=N\NC(=S)NC[C@H]1CCCO1 ZINC000013139908 FD Annotated Mild COc1ccc(NC(=O)C[C@@H]2SC(NC[C@@H]3CCCO3)=NC2=O)cc1 ZINC000013140297 FD Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N1[C@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@H]13 ZINC000013144884 FD Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@H]1C(=O)N1[C@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@H]13 ZINC000013144885 FD Annotated Anodyne CC(C)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000013147082 FD Annotated Clean COCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 ZINC000013147245 FD Annotated Anodyne CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]3C1=O ZINC000013147315 FD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]3C1=O ZINC000013147316 FD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013147377 FD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013147378 FD Annotated Anodyne O=C(NC[C@H]1CCCO1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@]23C=C[C@H]1O3 ZINC000013147379 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000013147485 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000013147486 FD Annotated Anodyne CCOCCc1c(O)nc(SCC(=O)NCc2ccco2)nc1O ZINC000013150493 FD Annotated Anodyne C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N/NC(=O)Cc1csc(N)n1 ZINC000013151959 FD Annotated Reactive Cn1/c(=N\C(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)sc2ccccc21 ZINC000013152645 FD Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)n1 ZINC000013152856 FD Annotated Anodyne CCOC(=O)Cc1csc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)n1 ZINC000013152857 FD Annotated Anodyne O=C(O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000013152989 FD Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O ZINC000013152990 FD Annotated Anodyne Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000013153420 FD Annotated Anodyne Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000013153421 FD Annotated Anodyne Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000013153422 FD Annotated Anodyne Cc1ccc2c(c1)[C@H]1OCC[C@@H]1[C@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@@]21O3 ZINC000013153423 FD Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@@H]2N(C(=O)[C@H]3[C@H](C(=O)O)[C@@H]4C=C[C@@]32O4)[C@@H]1c1ccco1 ZINC000013153451 FD Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H]2N(C(=O)[C@H]3[C@H](C(=O)O)[C@@H]4C=C[C@@]32O4)[C@@H]1c1ccco1 ZINC000013153452 FD Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccco2)N2C(=O)[C@H]3[C@H](C(=O)O)[C@@H]4C=C[C@]3(O4)[C@H]12 ZINC000013153453 FD Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H]2N(C(=O)[C@H]3[C@H](C(=O)O)[C@@H]4C=C[C@@]32O4)[C@H]1c1ccco1 ZINC000013153454 FD Annotated Anodyne COC(=O)c1cc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc(C(=O)OC)c1 ZINC000013153662 FD Annotated Anodyne COC(=O)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc(C(=O)OC)c1 ZINC000013153663 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccs1 ZINC000013153816 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccs1 ZINC000013153818 FD Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000013153912 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31)OCC(=O)c1ccccc1 ZINC000013154042 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc(F)cc1 ZINC000013154638 FD Annotated Anodyne CCOC(=O)N1CCC(/N=c2/c(O)c(O)/c2=N\c2ccc(F)cc2)CC1 ZINC000013281287 FD Annotated Anodyne C=C(CO)C(=O)O[C@]1(C)CC[C@@H](O)[C@H]2C[C@H]3OC(=O)[C@@H](C)[C@H]3C(=C)[C@H]21 ZINC000013299870 FD Annotated Mild C[C@@]1(CO)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H](C(O)(CO)CO)CC3=CC[C@@H]12 ZINC000013303202 FD Annotated Anodyne O=C1OC[C@](O)(C(=O)c2ccc(O)c(O)c2)/C1=C\c1ccc(O)c(O)c1 ZINC000013307752 FD Annotated Clean O=C1OC[C@@](O)(C(=O)c2ccc(O)c(O)c2)/C1=C\c1ccc(O)c(O)c1 ZINC000013307754 FD Annotated Clean COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@](O)(C(C)=O)[C@@H]1C[C@H]23 ZINC000013309645 FD Annotated Anodyne C[C@@]12NC(=O)[C@@H](C[C@]13C(=O)Nc1ccccc13)n1c2nc2ccccc2c1=O ZINC000013309808 FD Annotated Anodyne C=C1C(=O)O[C@@H]2C/C(CO)=C\CC/C(COC(=O)C(C)(C)O)=C/C[C@@H]12 ZINC000013324777 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)(C)O)=C/C[C@@H]12 ZINC000013324779 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)(C)O)=C/C[C@H]12 ZINC000013324781 FD Annotated Mild C=C(COC)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 ZINC000013326296 FD Annotated Mild C=C(C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](C)O ZINC000013326308 FD Annotated Mild C=C(C)C(=O)O[C@@H]1/C=C(/C=O)CCC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013338012 FD Annotated Reactive in-vivo C=C1C[C@H](OC(C)=O)C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CCC1=O ZINC000013338096 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@@H]12 ZINC000013338552 FD Annotated Mild O=Cc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](OS(=O)(=O)O)O2 ZINC000013339846 FD Annotated Clean CCOC(=O)C1CCN(c2nccc3nc(N4CCOCC4)ncc23)CC1 ZINC000013365993 FD Annotated Anodyne CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@]1(O)C(=O)OC ZINC000013366065 FD Annotated Mild in-vivo CCc1c(C)cc2c(c1O)C(=O)C1=C(C2=O)C(C)(C)O[C@@]1(O)C(=O)OC ZINC000013366067 FD Annotated Mild O=C1N[C@@H](C(=O)O)Cc2ccccc2N/C=C\1Cc1ccc(O)c(O)c1 ZINC000013366401 FD Annotated Clean O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CC[C@H](O)C[C@@H]2O1 ZINC000013369796 FD Annotated Clean CN1C(=N)N(C)[C@@](O)(Cc2c[nH]c3cc(Br)ccc23)C1=O ZINC000013371051 FD Annotated Anodyne C/C=C1/CN2CC[C@]3(O)c4ccccc4N4C=C(C(=O)OC)[C@H]1C[C@H]2[C@@]43O ZINC000013371258 FD Annotated Anodyne CC(=O)C[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000013373467 FD Annotated Clean C/C=C1\CN[C@H]2C[C@@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000013373725 FD Annotated Anodyne in-vitro C/C=C1\CN[C@@H]2C[C@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000013373726 FD Annotated Anodyne in-vitro CC/C=C/C=C/C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](O)(Cc1ccccc1)[C@@H]2O ZINC000013375195 FD Annotated Mild C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)[C@H]2O[C@@]2(C)C(=O)[C@H]1O ZINC000013377103 FD Annotated Mild COc1ccc([C@@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1 ZINC000013382526 FD Annotated Anodyne COc1ccc([C@@H](OC)[C@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1 ZINC000013382527 FD Annotated Anodyne COc1ccc([C@H](OC)[C@@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1 ZINC000013382528 FD Annotated Anodyne COc1ccc([C@H](OC)[C@]2(Cc3ccc(O)cc3)N=C(N)N(C)C2=O)cc1 ZINC000013382529 FD Annotated Anodyne CC(C)(O)[C@H]1Oc2c(CO)cc3c(c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000013383127 FD Annotated Clean CC(C)(O)[C@@H]1Oc2c(CO)cc3c(c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000013383128 FD Annotated Clean in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c(CO)cc3c2C(=O)c2cccc(O)c2C3=O)O1 ZINC000013383129 FD Annotated Clean in-vitro biogenic CC(C)(O)[C@H]1Cc2c(c(CO)cc3c2C(=O)c2cccc(O)c2C3=O)O1 ZINC000013383130 FD Annotated Clean CN1C=N[C@H](C(=O)O)C[C@@]1(C)COC(=O)c1cc(Br)c[nH]1 ZINC000013393259 FD Annotated Anodyne CC1=C(C(C)C)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@]34O)[C@@]12O ZINC000013397421 FD Annotated Anodyne in-man endogenous CC1=C(C(C)C)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O ZINC000013397423 FD Annotated Anodyne in-man CC1=C(C(C)C)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@@]34O)[C@@]12O ZINC000013397426 FD Annotated Anodyne in-man endogenous CC1=C(C(C)C)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O ZINC000013397429 FD Annotated Anodyne in-man COc1cc[n+]2c3n(c(=O)c(O)c2c1)-c1ccccc1C(=O)N1CCC[C@@H]31 ZINC000013397486 FD Annotated Anodyne CC[C@]1(O)C[C@@H](O)c2cc3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000013398222 FD Annotated Clean CC[C@]1(O)Cc2c(cc3c(c2O)C(=O)c2cccc(O)c2C3=O)[C@@H](O)C1 ZINC000013398238 FD Annotated Clean CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1O ZINC000013398252 FD Annotated Clean O=C1CC[C@H](O)[C@]23C=C[C@@H](O)C4(Oc5cccc6cccc(c56)O4)[C@]12O3 ZINC000013398490 FD Annotated Anodyne CN1C=NC[C@]1(C)C[C@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O ZINC000013398816 FD Annotated Anodyne CN1C=NC[C@]1(C)C[C@@H](NC(=O)c1cc(Br)c[nH]1)C(=O)O ZINC000013398823 FD Annotated Anodyne C=C1C[C@@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000013399272 FD Annotated Mild C=C1C[C@@H](C[C@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000013399277 FD Annotated Mild C=C1C[C@H](C[C@@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000013399281 FD Annotated Mild C=C1C[C@H](C[C@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000013399285 FD Annotated Mild COc1ccc([C@@]2(COC(C)=O)COc3cc(O)cc(O)c3C2=O)cc1O ZINC000013406444 FD Annotated Anodyne in-man COc1ccc([C@]2(COC(C)=O)COc3cc(O)cc(O)c3C2=O)cc1O ZINC000013406447 FD Annotated Anodyne in-man O=C1Nc2cc(Br)cc(Br)c2[C@]1(O)CCO ZINC000013407461 FD Annotated Anodyne COc1cc2c(c(O)c1C[C@H](OC(C)=O)C(C)(C)O)C(=O)O[C@H](C)C2 ZINC000013408228 FD Annotated Anodyne in-man endogenous COc1cc2c(c(O)c1C[C@H](OC(C)=O)C(C)(C)O)C(=O)O[C@@H](C)C2 ZINC000013408232 FD Annotated Anodyne in-man endogenous COc1cc2c(c(O)c1C[C@@H](OC(C)=O)C(C)(C)O)C(=O)O[C@H](C)C2 ZINC000013408236 FD Annotated Anodyne in-man endogenous COc1cc2c(c(O)c1C[C@@H](OC(C)=O)C(C)(C)O)C(=O)O[C@@H](C)C2 ZINC000013408240 FD Annotated Anodyne in-man endogenous CC(C)=CCOc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1O ZINC000013431342 FD Annotated Anodyne in-vitro biogenic COc1cccc2c1C(=O)c1c(cc3c(c1O)CC[C@](O)([C@H](C)O)C3)C2=O ZINC000013432677 FD Annotated Clean COC1=C(OC)[C@]23CCc4cc5c(cc4[C@@]2(CC1=O)CC(=O)N3C)OCO5 ZINC000013434496 FD Annotated Mild COC1=C(OC)[C@@]23CCc4cc5c(cc4[C@]2(CC1=O)CC(=O)N3C)OCO5 ZINC000013434497 FD Annotated Mild COc1cc(OC)c2c(c1)OC[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2 ZINC000013438101 FD Annotated Clean COc1cc(OC)c2c(c1)OC[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C2 ZINC000013438105 FD Annotated Clean C[C@H](N)[C@H]1C(=O)C[C@H]2[C@H]3CC=C4C[C@@H](N)CC[C@]4(C)[C@@H]3C(=O)C[C@]12CO ZINC000013438212 FD Annotated Anodyne CCCN[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440475 FD Annotated Bother CCCN[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O ZINC000013440477 FD Annotated Bother COC1(OC)C(Br)=CC(O)(CC(N)=O)C=C1Br ZINC000013450332 FD Annotated Anodyne in-vitro biogenic C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000013457101 FD Annotated Anodyne in-man C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000013457103 FD Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000013457105 FD Annotated Anodyne in-man C[C@]12C[C@@H](c3ccoc3)O[C@@]13C[C@H](OC3=O)[C@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000013457107 FD Annotated Anodyne in-man C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000013457186 FD Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000013458259 FD Annotated Anodyne in-vitro biogenic COC(=O)CC1c2c(cc(O)c(O)c2O)C(=O)c2cc(O)c(O)c(O)c21 ZINC000013460590 FD Annotated Clean in-vitro biogenic CCOc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470436 FD Annotated Mild CC(C)Oc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2 ZINC000013470437 FD Annotated Mild CC(=O)N1C(=O)[C@@H](C)[C@@H]2[C@@H]1CCN2S(=O)(=O)CCc1ccccc1 ZINC000013471515 FD Annotated Anodyne CCOC(=O)c1cc2c3cc(-n4cnnc4)c(Cl)cc3nc(O)n2n1 ZINC000013472583 FD Annotated Anodyne COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@@H](O)C3)c21 ZINC000013478400 FD Annotated Bother COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@H](O)C3)c21 ZINC000013478402 FD Annotated Bother CC(=O)O[C@@H](C)[C@@H](OC(C)=O)[C@@H](C/C=C/[C@@H]1CC=CC(=O)O1)OC(C)=O ZINC000013480507 FD Annotated Anodyne COC(=O)c1cc(O)c(O)c(-c2c(O)c(O)c3c(c2O)C(=O)OC3)c1O ZINC000013480617 FD Annotated Clean C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000013483952 FD Annotated Anodyne biogenic C=C[C@]1(C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000013485878 FD Annotated Mild C=C[C@]1(CO)C[C@H](OC(=O)/C(=C/C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C ZINC000013485948 FD Annotated Mild CNC(=O)N1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000013487439 FD Annotated Anodyne CNC(=O)N1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000013487440 FD Annotated Anodyne CNC(=O)NC(=O)Cc1cc2c(cc1C(=O)c1ccc(N)cc1)OCO2 ZINC000013487446 FD Annotated Anodyne O=C1[C@@H]2CCCN2C(=O)N1CN1CCN(c2cccc3[nH]cnc23)CC1 ZINC000013489215 FD Annotated Anodyne O=C1[C@H]2CCCN2C(=O)N1CN1CCN(c2cccc3[nH]cnc23)CC1 ZINC000013489216 FD Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccccn1)C2 ZINC000013491480 FD Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1cccnc1)C2 ZINC000013491481 FD Annotated Anodyne O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(Cc1ccncc1)C2 ZINC000013491482 FD Annotated Anodyne O=C(OCc1ccncc1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12 ZINC000013492630 FD Annotated Anodyne CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000013517024 FD Annotated Anodyne CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000013517029 FD Annotated Anodyne CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000013517041 FD Annotated Anodyne O=Cc1ccn(-c2cc3c(cc2[N+](=O)[O-])nc(O)c2nc(C(=O)O)nn23)c1 ZINC000013532615 FD Annotated Bother CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4cccc4)cc3n2n1 ZINC000013532618 FD Annotated Bother C[C@H](N)[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)C1 ZINC000013535546 FD Annotated Anodyne C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](C)N2C[C@H]1Cc1ccc(O)cc1 ZINC000013545644 FD Annotated Anodyne O=c1[nH]n(Cc2cc[n+]([O-])cc2)c(=O)c2c(O)c3ccc(Cl)cc3nc12 ZINC000013553708 FD Annotated Bother Cn1c(=O)c2c(nc3n2CCCN3CCc2ccc(Cl)cc2)n(C)c1=O ZINC000013554879 FD Annotated Anodyne O=C(c1ccco1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013555575 FD Annotated Anodyne N=C(N)c1ccc(N2CC3(CCN(C(=O)CCC(=O)O)CC3)CC2=O)cc1 ZINC000013560391 FD Annotated Anodyne O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)N1CCOCC1 ZINC000013571033 FD Annotated Anodyne COc1ccc(-n2nc3c(N)nc4c([N+](=O)[O-])cccc4n3c2=O)cc1 ZINC000013580769 FD Annotated Bother COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(N(C)C)cc1 ZINC000013583016 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC/C=C(/CO)[C@H](O)C[C@@H]12 ZINC000013585300 FD Annotated Mild C=C(C)C(=O)O[C@@H]1/C=C(\C=O)CCC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000013585319 FD Annotated Reactive in-vivo C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)C(C)(C)O)=C\C[C@H]12 ZINC000013585345 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CO)=C\C[C@H]12 ZINC000013585352 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@H](C)CO)=C\C[C@H]12 ZINC000013585354 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000013585384 FD Annotated Mild biogenic in-vivo C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000013585401 FD Annotated Mild biogenic in-vivo C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CC[C@](O)(COC(=O)C(C)C)[C@@H]3C[C@H]12 ZINC000013585454 FD Annotated Mild C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@H](O)CC[C@@](O)(COC(=O)C(C)C)[C@@H]3C[C@H]12 ZINC000013585456 FD Annotated Mild O=C(CCN1CCC2(CC1)OCCO2)c1cc(O)c(O)c([N+](=O)[O-])c1 ZINC000013585723 FD Annotated Clean C[C@@H](NS(=O)(=O)N1CC=C(c2ccc(Cl)cc2)CC1)C(=O)NO ZINC000013587219 FD Annotated Anodyne Cc1nc(NC(=O)OC(C)(C)C)sc1C(=O)N1CCN(C=O)CC1 ZINC000013587416 FD Annotated Anodyne N=C(N)NCC(=O)Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 ZINC000013589288 FD Annotated Anodyne N=C(N)NCC(=O)Nc1cccc(S[C@H](CC(=O)O)c2cccnc2)c1 ZINC000013589289 FD Annotated Anodyne N=C(N)NCC(=O)Nc1ccc(S[C@@H](CC(=O)O)c2cccnc2)cc1 ZINC000013589314 FD Annotated Anodyne N=C(N)NCC(=O)Nc1ccc(S[C@H](CC(=O)O)c2cccnc2)cc1 ZINC000013589315 FD Annotated Anodyne CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNS(C)(=O)=O ZINC000013590021 FD Annotated Anodyne O=C1CCC(C(=O)N2CCC(CO)(Cc3ccc(Cl)cc3)CC2)=NN1 ZINC000013593721 FD Annotated Anodyne O=C1NCCN(Cc2c(F)cccc2Cl)[C@H]1CC(=O)N1CCCCO1 ZINC000013594611 FD Annotated Anodyne O=C1NCCN(Cc2c(F)cccc2Cl)[C@@H]1CC(=O)N1CCCCO1 ZINC000013594613 FD Annotated Anodyne CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCc1nc(C)c(C)s1 ZINC000013595226 FD Annotated Anodyne CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCc1nc(C)c(C)s1 ZINC000013595228 FD Annotated Anodyne NC(N)=Nc1nc(-c2cccc(CNC(=O)C3CCC(=O)CC3)n2)cs1 ZINC000013600805 FD Annotated Mild COC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2ccc(Br)cc21 ZINC000013601328 FD Annotated Anodyne COC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2ccc(Br)cc21 ZINC000013601331 FD Annotated Anodyne COC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2ccc(C(F)(F)F)cc21 ZINC000013601334 FD Annotated Anodyne COC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2ccc(C(F)(F)F)cc21 ZINC000013601336 FD Annotated Anodyne COC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2cc(Cl)c(Cl)cc21 ZINC000013601343 FD Annotated Anodyne COC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2cc(Cl)c(Cl)cc21 ZINC000013601345 FD Annotated Anodyne O=C(O)CNC12C[C@@H]3C[C@H](C1)CC(NC(=O)CCC1CCNCC1)(C3)C2 ZINC000013602861 FD Annotated Anodyne CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000013604091 FD Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000013604093 FD Annotated Bother CO[C@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000013604094 FD Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000013604096 FD Annotated Bother Nc1nc(O)c2cnn(CCCCCCC(F)(F)P(=O)(O)O)c2n1 ZINC000013604171 FD Annotated Anodyne Cc1cc2c(o1)C(O)=C(C(=O)Nc1ncc(C)s1)N(C)S2(=O)=O ZINC000013605506 FD Annotated Anodyne Cc1cnc(NC(=O)C2=C(O)N(C)S(=O)(=O)c3ccccc32)s1 ZINC000013605512 FD Annotated Anodyne CCCCC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CC[C@@H]3OC(C)=O ZINC000013605722 FD Annotated Mild CCCCC1=C(NC(C)=O)C(=O)c2nc3n(c2C1=O)CC[C@H]3OC(C)=O ZINC000013605723 FD Annotated Mild CN(C)CCc1c(C(=O)O)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 ZINC000013605884 FD Annotated Anodyne COC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013605886 FD Annotated Anodyne COC(=O)c1[nH]c2ccc(CN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013605921 FD Annotated Anodyne CCOC(=O)c1[nH]c2ccc(CN3C(=O)CNC3=O)cc2c1CCN(C)C ZINC000013605922 FD Annotated Anodyne C[C@@H]1Cc2cc(N3CCNCC3)c(F)cc2-c2cc(=O)c(C(=O)O)cn21 ZINC000013609770 FD Annotated Anodyne C[C@H]1Cc2cc(N3CCNCC3)c(F)cc2-c2cc(=O)c(C(=O)O)cn21 ZINC000013609773 FD Annotated Anodyne O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1c1ccc2c(c1)OCO2 ZINC000013612254 FD Annotated Anodyne COc1ccccc1CN1C(=O)c2c(c(O)c3nccnc3c2O)C1=O ZINC000013612260 FD Annotated Anodyne C[C@@H]1C=C(C(=O)N2CCN(C)CC2)O[C@H](OCc2ccc(CO)cc2)C1 ZINC000013634855 FD Annotated Anodyne N=C1c2c(cc(O)n3c2nc2ccccc23)CN1CCN1CCOCC1 ZINC000013637998 FD Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)c2ccc3c(c2)Cc2ccccc2-3)[C@H]1C(=O)O ZINC000013642350 FD Annotated Anodyne O=C(O)[C@H]1NCCN(C(=O)/C=C/c2ccc3ccccc3c2)[C@H]1C(=O)O ZINC000013642360 FD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000013643324 FD Annotated Mild CCCC[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](O)c1cc(F)cc(F)c1 ZINC000013648997 FD Annotated Anodyne CCCC[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](O)c1cc(F)cc(F)c1 ZINC000013649003 FD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3CCN4CC[C@H]3C4)c(F)cc2c1=O ZINC000013649300 FD Annotated Anodyne N[C@@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000013649731 FD Annotated Anodyne N[C@H]1CCN(c2c(F)c(O)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 ZINC000013649733 FD Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000013649997 FD Annotated Clean CN1CCN(c2cc3c(cc2F)n2c(=O)nc(O)cc2n3C2CC2)CC1 ZINC000013650476 FD Annotated Anodyne CN1C(=O)N(C)C(=O)C2(CC=C3[C@H](CCC4=CC(=O)CC[C@@]43C)O2)C1=O ZINC000013651645 FD Annotated Mild Cc1c(C)c2c(c(C)c1O)[C@H](C(=O)N1CCN(CCO)CC1)C(C)(C)O2 ZINC000013651885 FD Annotated Anodyne Cc1c(C)c2c(c(C)c1O)[C@@H](C(=O)N1CCN(CCO)CC1)C(C)(C)O2 ZINC000013651886 FD Annotated Anodyne CN(C)CCn1c(=O)c2ccc(Cl)c3c(=O)c4ccccc4n(c1=O)c23 ZINC000013652436 FD Annotated Bother NC(=O)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCCCCO)O1 ZINC000013656418 FD Annotated Anodyne NC(=O)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCCCCO)O1 ZINC000013656505 FD Annotated Anodyne CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](C2CC2)[C@@H]1CCCO ZINC000013656847 FD Annotated Anodyne CN1CCN(C(=O)C2=C[C@H](C(C)(C)C)C[C@H](OCCCCO)O2)CC1 ZINC000013656899 FD Annotated Anodyne CN1CCN(C(=O)C2=C[C@@H](c3ccccc3)C[C@@H](OCCCCO)O2)CC1 ZINC000013656922 FD Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000013660172 FD Annotated Anodyne C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@]1(C)O[C@@H]1C ZINC000013685024 FD Annotated Mild Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2n[nH]cc2C4=NCC3)cc1 ZINC000013687116 FD Annotated Clean Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)c2cn[nH]c2C4=NCC3)cc1 ZINC000013687152 FD Annotated Clean CC(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O ZINC000013687267 FD Annotated Anodyne O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCC[C@H]1c1nnn[nH]1 ZINC000013687300 FD Annotated Clean O=C(O)[C@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000013687309 FD Annotated Clean O=C(O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000013687312 FD Annotated Clean C[C@@H]1/C=C/CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C\CC(=O)OC1 ZINC000013704224 FD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000013704232 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000013704265 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000013704269 FD Annotated Anodyne O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCOCC1 ZINC000013725664 FD Annotated Anodyne NS(=O)(=O)c1cc(C(=O)c2ccc(CN3CCOCC3)cc2)cs1 ZINC000013727854 FD Annotated Anodyne NS(=O)(=O)c1cc(C(=O)c2cccc(CN3CCOCC3)c2)cs1 ZINC000013727869 FD Annotated Anodyne CC(C)NCc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1 ZINC000013727913 FD Annotated Anodyne COC(=O)c1cc(O)c(O)c(O)c1-c1c(C(=O)OC)cc(O)c(O)c1O ZINC000013733610 FD Annotated Clean O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc12 ZINC000013737594 FD Annotated Anodyne O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1 ZINC000013740532 FD Annotated Anodyne CC(=O)OCCOCn1c2c(c(=O)[nH]c1=O)CNc1ccccc1S2 ZINC000013741662 FD Annotated Anodyne N/C(=N/N=C/c1c[nH]c2ccc(O)cc12)NCCNC(=O)c1ccccc1 ZINC000013741841 FD Annotated Mild CCCCCN/C(N)=N/N=C/c1c[nH]c2ccc(NS(C)(=O)=O)cc12 ZINC000013741867 FD Annotated Mild COc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O ZINC000013755837 FD Annotated Anodyne COn1c(=O)n2c3c(cccc31)-n1cnc(-c3noc(C4CC4)n3)c1C2 ZINC000013760371 FD Annotated Anodyne O=C1NC(=S)S[C@@H]1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000013761318 FD Annotated Clean O=C1NC(=S)S[C@H]1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000013761319 FD Annotated Clean N=C(N)NCCCCCCOc1ccc2c(c1)CCN(CC(=O)O)C2=O ZINC000013763498 FD Annotated Anodyne N=C(N)c1ccc(CCc2ccc3c(c2)CCN(CC(=O)O)C3=O)cc1 ZINC000013763536 FD Annotated Anodyne O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccccc1Cl)C(=O)c1cccn12 ZINC000013781445 FD Annotated Anodyne O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccccc1Cl ZINC000013781446 FD Annotated Anodyne O=C1c2cccn2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1cccc(Cl)c1 ZINC000013781448 FD Annotated Anodyne O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Cl)cc1 ZINC000013781449 FD Annotated Anodyne COc1ccc(CN2C(=O)c3cccn3[C@@]3(CC(O)=NC3=O)C2=O)cc1 ZINC000013781457 FD Annotated Anodyne O=C1c2cccn2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(F)cc1F ZINC000013781469 FD Annotated Anodyne CN(C)c1nc2nc(N3CCNCC3)nc(N3CCCC3)c2nc1Cl ZINC000013782031 FD Annotated Anodyne C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000013783701 FD Annotated Mild C=C1CC[C@@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000013783702 FD Annotated Mild C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000013783703 FD Annotated Mild C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000013783704 FD Annotated Mild CCOC(=O)CCCn1cnc2cc(OC)c(OC)c([N+](=O)[O-])c2c1=O ZINC000013800964 FD Annotated Bother O=C(O)CCNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1 ZINC000013803668 FD Annotated Anodyne C[C@@](O)(C(=O)N1CCN(/C(=N/C#N)Oc2ccccc2)CC1)C(F)(F)F ZINC000013804048 FD Annotated Mild C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1C(=O)C1CCCCC1 ZINC000013804082 FD Annotated Anodyne C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)CCN1c1cc([N+](=O)[O-])ccn1 ZINC000013804084 FD Annotated Bother O=P(O)(O)CN[C@@H](Cc1ccc2c(c1)Cc1ccccc1-2)c1nnn[nH]1 ZINC000013804998 FD Annotated Anodyne O=P(O)(O)CN[C@H](Cc1ccc2c(c1)Cc1ccccc1-2)c1nnn[nH]1 ZINC000013805000 FD Annotated Anodyne C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000013806400 FD Annotated Anodyne C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccc(S(C)(=O)=O)cc1)C(C)(C)C ZINC000013806403 FD Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(C(=O)NCCCO)cc1Cl)C(F)(F)F ZINC000013808710 FD Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4ccnc4)cc3n2n1 ZINC000013814081 FD Annotated Anodyne N#CCCCS(=O)(=O)c1nnnn1-c1ccc(F)cc1Br ZINC000013815233 FD Annotated Mild N#CCCCS(=O)(=O)c1nnnn1-c1ccc(Br)cc1 ZINC000013815255 FD Annotated Mild O=C(O)c1ccc2c(c1)C(=O)N([C@]1(C(=O)O)C[C@H]1c1ccccc1)C2=O ZINC000013816033 FD Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)N([C@]1(C(=O)O)C[C@@H]1c1ccccc1)C2=O ZINC000013816036 FD Annotated Anodyne CCOC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C ZINC000013816539 FD Annotated Anodyne CCOC(=O)CN1C(=O)N[C@@H](CCc2ccccc2)[C@@H](C(=O)OC)[C@H]1C ZINC000013816647 FD Annotated Anodyne C[C@@H]1CCc2cc(F)cc3c2N1C(=O)[C@H](C(=O)Nc1cnccn1)C3=O ZINC000013818106 FD Annotated Anodyne C[C@H]1CCc2cc(F)cc3c2N1C(=O)[C@H](C(=O)Nc1cnccn1)C3=O ZINC000013818109 FD Annotated Anodyne C[C@@H]1CCc2cc(F)cc3c2N1C(=O)[C@@H](C(=O)Nc1cnccn1)C3=O ZINC000013818111 FD Annotated Anodyne C[C@H]1CCc2cc(F)cc3c2N1C(=O)[C@@H](C(=O)Nc1cnccn1)C3=O ZINC000013818114 FD Annotated Anodyne O=S(=O)(CCO)N1CCC[C@@H]2CN3CCc4ccccc4[C@@H]3C[C@@H]21 ZINC000013820215 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@H]21)OCO5 ZINC000013820251 FD Annotated Anodyne CN1C[C@H]2CCCN(S(C)(=O)=O)[C@H]2C[C@H]1c1ccc2c(c1)OCO2 ZINC000013820278 FD Annotated Anodyne CN1C[C@@H]2CCCN(S(C)(=O)=O)[C@@H]2C[C@H]1c1ccc2c(c1)OCO2 ZINC000013820280 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@H]2[C@H]3c4cc5c(cc4CCN3CC[C@@H]21)OCO5 ZINC000013820284 FD Annotated Anodyne CC(=O)N(C)CC#CCN1CC[C@@H](OS(=O)(=O)c2ccc(C)cc2)C1 ZINC000013820902 FD Annotated Mild CC(=O)N(C)CC#CCN1CC[C@H](OS(=O)(=O)c2ccc(C)cc2)C1 ZINC000013820904 FD Annotated Mild NS(=O)(=O)c1cc2cc(CN3CCS(=O)CC3)sc2s1 ZINC000013822156 FD Annotated Anodyne COCCOCCN[C@@H](C)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822170 FD Annotated Anodyne COCCOCCN[C@H](C)c1cc2cc(S(N)(=O)=O)sc2s1 ZINC000013822172 FD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CC(=O)OC)CC1 ZINC000013822769 FD Annotated Anodyne C[C@@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 ZINC000013825552 FD Annotated Reactive C[C@H]1CCCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)C1 ZINC000013825555 FD Annotated Reactive C[C@@H]1CCCCN1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825558 FD Annotated Reactive C[C@H]1CCCCN1Cc1ccc(CNCCN2CCNC2=C(C#N)C#N)o1 ZINC000013825561 FD Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CC=CCC2)o1 ZINC000013825580 FD Annotated Reactive N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCSCC2)o1 ZINC000013825585 FD Annotated Reactive C=C1C[C@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@H](C(=O)OCC)[C@@H]1N2C ZINC000013828864 FD Annotated Mild C=C1C[C@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@@H](C(=O)OCC)[C@@H]1N2C ZINC000013828866 FD Annotated Mild CCC/C=C1/CCCO[C@@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829002 FD Annotated Anodyne CCC/C=C1/CCCO[C@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829003 FD Annotated Anodyne CCCC[C@@H]1CCCO[C@@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829029 FD Annotated Anodyne CCCC[C@H]1CCCO[C@@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829031 FD Annotated Anodyne CCCC[C@@H]1CCCO[C@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829033 FD Annotated Anodyne CCCC[C@H]1CCCO[C@](C(=O)NCCNCCO)(C(F)(F)F)C1 ZINC000013829035 FD Annotated Anodyne CCOC(=O)/C=C/CN(C(=O)OC(C)(C)C)S(=O)(=O)N1CC=CC1 ZINC000013830597 FD Annotated Anodyne COC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000013831459 FD Annotated Clean C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000013846204 FD Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013846208 FD Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000013846211 FD Annotated Anodyne CN(C)CCCOc1cc(C(=O)N2CCOCC2)n(Cc2ccccc2)n1 ZINC000013861425 FD Annotated Anodyne N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2n1CP(=O)(O)O)C(=O)O ZINC000013862689 FD Annotated Anodyne N[C@@H](Cc1nc2cc(C(F)(F)F)ccc2n1CP(=O)(O)O)C(=O)O ZINC000013862698 FD Annotated Anodyne N[C@H](Cc1nc2cc(C(F)(F)F)ccc2n1CP(=O)(O)O)C(=O)O ZINC000013862699 FD Annotated Anodyne O=Cc1ccn(-c2cc3c(cc2Cl)[nH]c(=O)c2nc(C(=O)O)nn23)c1 ZINC000013864085 FD Annotated Anodyne CCOC(=O)c1nc2c(=O)[nH]c3cc(Cl)c(-n4cccn4)cc3n2n1 ZINC000013864088 FD Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc(Cl)c(-n4cncn4)cc3n2n1 ZINC000013864090 FD Annotated Anodyne CC[C@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000013864507 FD Annotated Anodyne CC[C@@H](C(=O)Oc1c(OC)cccc1OC)N(CCOC)CCOC ZINC000013864508 FD Annotated Anodyne N#Cc1c(O)c2nc(NCCCO)ncc2n2c(=O)c3ccccc3nc12 ZINC000013865555 FD Annotated Mild COC1=C(C)C(=O)c2c(c(COC(C)=O)c3n2CC[C@@H]3OC(C)=O)C1=O ZINC000013886910 FD Annotated Mild N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCC[C@@H]3CC(=O)O)C2)cc1 ZINC000013907018 FD Annotated Anodyne N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCC[C@@H]3CC(=O)O)C2)cc1 ZINC000013907019 FD Annotated Anodyne O=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@H]1CCOC1=O)c2O ZINC000013907357 FD Annotated Clean CN1Cc2cc(C(=O)Nc3cccc(N)n3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000013907684 FD Annotated Anodyne Cc1c(N2CC[C@H](CN)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000013911001 FD Annotated Anodyne O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1c1cc(OCC(F)F)cc([N+](=O)[O-])c1 ZINC000013960353 FD Annotated Bother COCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000013972571 FD Annotated Anodyne COC(=O)[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15C[C@H]2O)[C@@H]43 ZINC000135695916 FD Annotated Anodyne COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@@H](O)C(=O)/C=C/C[C@@H](C)OC2=O ZINC000135706108 FD Annotated Mild O=C1CC[C@H](c2ccc(O)c3c2C(=O)[C@@H](O)[C@H](O)[C@@H]3O)c2cccc(O)c21 ZINC000135733828 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](O)/C=C(\CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000135755586 FD Annotated Anodyne biogenic CC(C)=CCC/C(C)=C/CC1=C(N)C(=O)C2=C(NCCS2(=O)=O)C1=O ZINC000135845473 FD Annotated Mild CC1(C)CCC[C@]2(C=O)C1=C(O)C(=O)C1=C[C@H]3C[C@H](OC(=O)[C@@H]3CO)[C@H]12 ZINC000135928272 FD Annotated Mild O=C1C=CC=C/C1=C1/NN=C(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)O1 ZINC000135938682 FD Annotated Mild COc1ccc(-c2nnc(/N=C/N(C)C)nc2/N=C/N(C)C)cc1OC ZINC000135970907 FD Annotated Mild N=C(N)c1ccc(C2=NO[C@H](CC(=O)N3CCCC[C@H]3CC(=O)O)C2)cc1 ZINC000136034311 FD Annotated Anodyne CCCNC(=O)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136097999 FD Annotated Anodyne CC(C)NC(=O)NC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)O1 ZINC000136128302 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C)C[C@H](OC(=O)/C(=C/CO)CO)[C@H]12 ZINC000136253403 FD Annotated Anodyne CC[C@@]1(O)CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3C[C@@H]1[C@@H]2CO3 ZINC000136312253 FD Annotated Anodyne C[C@@]12CC(=O)[C@H](C[C@@]34C[C@H](C/C=C5/C(=O)O[C@H](C1)[C@H]5O)[C@@](C)(CO3)O4)O2 ZINC000136318667 FD Annotated Anodyne COC1=C/C(=C\NNC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)C=CC1=O ZINC000136394387 FD Annotated Reactive COc1ccccc1CCNC(=O)c1c(O)n2ccc(C)cc2nc1=O ZINC000136596250 FD Annotated Anodyne O=C1C=CC=C/C1=C1/NN=C(S[C@H]2CC(=O)N(c3ccccc3)C2=O)O1 ZINC000136679522 FD Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@H]1O ZINC000136716702 FD Annotated Anodyne CO[C@H]1O[C@@H](OC)C[C@@H]2[C@H]1[C@@](C)(O)C[C@H]2OC(=O)c1ccc(O)cc1 ZINC000136930058 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)C1=C[C@@H]1O[C@@]13C2=O ZINC000136987731 FD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc4ccccc34)c(=O)c12 ZINC000137077615 FD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc(F)c(Cl)c3)c(=O)c12 ZINC000137078995 FD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3cccc(Cl)c3)c(=O)c12 ZINC000137079042 FD Annotated Anodyne O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12 ZINC000137079109 FD Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)C([C@@H]2C[C@@H](O)C(=O)O2)=C2[C@@H]1C(C)(C)C[C@]2(C)CO ZINC000137099358 FD Annotated Anodyne CCCCCCCCC/C=C/C=C/C(=O)[C@]1(O)C(=O)N[C@@H](CO)[C@@H]1O ZINC000137101178 FD Annotated Mild CCCCCCCCCCC[C@H](O)[C@H]1C(=O)O[C@@H](C(=O)O)[C@]1(O)C(=O)O ZINC000137129031 FD Annotated Mild CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)O2)s1 ZINC000137232758 FD Annotated Mild CCOC(=O)COC(=O)c1c(CC)n(O)c2ccc(Cl)cc2[n+]1=O ZINC000137260884 FD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000137286704 FD Annotated Anodyne C[C@@H]1/C=C\CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC1 ZINC000137298286 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000137298651 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000137299420 FD Annotated Anodyne O=C(Nc1ccc(F)cc1)c1c[nH]n2c(=O)cc(C3CCNCC3)nc12 ZINC000137376265 FD Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000137631641 FD Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)o1 ZINC000137663386 FD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C\CC/C(COC(=O)[C@@H](C)CO)=C/C[C@H]12 ZINC000137737892 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)C1=C[C@@H]1O[C@@]13[C@@H]2O ZINC000137802239 FD Annotated Anodyne N#CC1=C(N)N/C(=C2\C(=O)C=CC=C2OCC2CC2)C=C1C1CCNCC1 ZINC000137814475 FD Annotated Reactive in-vivo C=C1CCC2=C(CO)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(C)=O ZINC000137814738 FD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000137863836 FD Annotated Anodyne CC[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21CO ZINC000137873826 FD Annotated Anodyne CC1=C2[C@@H](C[C@@H]3[C@@](O)(CC[C@@H]4C(C)(C)[C@H](O)CC[C@]43C)[C@@H]2O)OC1=O ZINC000138410627 FD Annotated Anodyne CO[C@@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)/C=C/c2ccc(O)cc2)O1 ZINC000138451014 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@@](COC(C)=O)(OC(C)=O)CC[C@H]1O ZINC000138556930 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)C1=C[C@@H]1O[C@@]13[C@H]2O ZINC000138574571 FD Annotated Anodyne CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5c(OC)cccc5[C@]45C[C@@H]([C@H]2C5=O)N3[C@@H]1O ZINC000138717088 FD Annotated Anodyne C=C1[C@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CC[C@@]4(C)CO[C@H]5OC[C@]23[C@H]54)[C@@H]1O ZINC000138774051 FD Annotated Mild Cc1nc2ccccc2n(CC(=O)NNC(=O)Cc2ccccc2)c1=O ZINC000138865397 FD Annotated Reactive COc1cc(CCN/C=C/C2=CC(C(=O)O)=N[C@H](C(=O)O)C2)ccc1O ZINC000138912719 FD Annotated Anodyne CO[C@@H]1C2=C(C)C(=O)O[C@@]2(OC)C[C@@]2(O)CC[C@H](OC(C)=O)[C@H](C)[C@@]12C ZINC000139092897 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C3\CC[C@H]4O[C@@]4(C[C@H](OC(=O)C(C)C)[C@@H]12)[C@H](O)OC3 ZINC000139121890 FD Annotated Mild CC1(C)[C@@H](O)C[C@@H]2[C@@](C)(O)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000139136497 FD Annotated Anodyne COc1cccc2c(=O)n(-c3ccc(S(N)(=O)=O)cc3)c(=S)[nH]c12 ZINC000139209829 FD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](O)[C@H]1[C@@H](OC(C)=O)[C@@H]73 ZINC000139219001 FD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)OC)C[C@@H]1N2C ZINC000139222277 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)OC)C[C@@H]1N2C ZINC000139222606 FD Annotated Anodyne COc1cc2c3c(cc4c(c3c1OC)C(=O)[C@@H](O)CC4)N(C)C(=O)C2=O ZINC000139621298 FD Annotated Anodyne COc1ccc(C(=O)Cc2ccnc(C#N)c2)n2nc(C3(CO)CC3)nc12 ZINC000139763868 FD Annotated Mild COc1ccc(C(=O)Cc2nccnc2Cl)n2nc(C3(CO)CC3)nc12 ZINC000139764018 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000139877693 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@]12CO2 ZINC000139877837 FD Annotated Anodyne O=C(O)[C@@H]1CCC[C@H](C2=CN3C=C4CC[C@H](C(=O)O)N=C4C[C@@H]3CC2)N1 ZINC000139938463 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@]2(C)O ZINC000014191383 FD Annotated Anodyne in-vivo C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C(=O)[C@]3(O)CO ZINC000014410033 FD Annotated Anodyne in-vitro biogenic CC(=O)C1=COC[C@H]2[C@@H]3C[C@@]4(C(=O)N(C)c5ccccc54)[C@H](C[C@@H]12)N3C=O ZINC000014417383 FD Annotated Mild CCCCC/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O ZINC000014417815 FD Annotated Mild COc1c(O)c(O)c2c(c1OC)OC[C@@H](Cc1ccc(O)c(O)c1)C2=O ZINC000014437354 FD Annotated Clean COc1c2c(c3c(c1OC)C(=O)c1c(O)c(C)cc(O)c1C3=O)OCO2 ZINC000014437931 FD Annotated Clean in-vitro biogenic CN1[C@H]2[C@@H](O)c3cc4c(cc3[C@]23Cc2ccc5c(c2[C@H]1O3)OCO5)OCO4 ZINC000014439433 FD Annotated Anodyne CS[C@]1(Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H](O)NC1=O ZINC000014489256 FD Annotated Anodyne CC(=O)Oc1cc2c(c(OC(C)=O)c1OC(C)=O)[C@@H](OC(C)=O)OC2 ZINC000014492110 FD Annotated Anodyne C[C@@]1(O)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@@H]1COC(=O)C1 ZINC000014497024 FD Annotated Anodyne C[C@]1(O)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1 ZINC000014497037 FD Annotated Anodyne in-vitro biogenic CC[C@H](C)[C@@H](CO)NC(=O)/C=C/[C@@](C)(OC)[C@@H](O)[C@@H](C)C[C@H](O)CC ZINC000140073688 FD Annotated Anodyne O[C@H]1CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C[C@@H]1O ZINC000140121748 FD Annotated Anodyne COc1cc(O)c2c(c1)/C=C\C[C@H](O)[C@H](O)C(=O)/C=C\C[C@@H](C)OC2=O ZINC000140145012 FD Annotated Mild in-vitro COc1ccc2[nH]c(C3=c4cc([N+](=O)[O-])ccc4=NC3=O)c(NO)c2c1 ZINC000140158623 FD Annotated Bother in-vivo C=C1[C@@H](O)C[C@@H]2C[C@]3(C)[C@@H](OC(C)=O)C[C@@](C)(COC(C)=O)[C@@H]3[C@@]12O ZINC000140204932 FD Annotated Mild C=C1[C@@H](O)C[C@@H]2[C@H](OC(C)=O)[C@]3(C)C[C@@H](OC(C)=O)C(C)(C)[C@@H]3[C@@]12O ZINC000140205238 FD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CC(C)=C2C[C@H](O)[C@](C)(O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000140433554 FD Annotated Anodyne C[C@]1(CO)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]3CCc4cocc4[C@]3(CO)CC[C@@H]12 ZINC000140492502 FD Annotated Anodyne COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2N=C(C(C)=O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000140510767 FD Annotated Anodyne CNc1nc(C)c2cc(Br)c(=O)n(C[C@@H]3CCOC3)c2n1 ZINC000140692976 FD Annotated Anodyne CNc1nc(C)c2cc(Br)c(=O)n(C[C@H]3CCOC3)c2n1 ZINC000140693146 FD Annotated Anodyne COc1ccc2c(c1)N=CN1CCC3=c4ccccc4=NC3=C3NCC[C@@]321 ZINC000140910485 FD Annotated Anodyne CCOC(=O)CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c(OC)ccc(c23)C1 ZINC000140954164 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@]12O ZINC000140983720 FD Annotated Mild CC/N=C(/NS(=O)(=O)c1ccc(N)c(Cl)c1)N1C[C@@H](CC)C=N1 ZINC000141341828 FD Annotated Anodyne CC/N=C(/NS(=O)(=O)c1ccc(N)c(Cl)c1)N1C[C@H](CC)C=N1 ZINC000141342031 FD Annotated Anodyne COc1c(O)ccc(C(=O)c2c(C(=O)OCCO)ccc(C)c2O)c1O ZINC000141354036 FD Annotated Anodyne CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1[C@@H](COC(=O)c1ccccc1)OC(C)=O ZINC000141439311 FD Annotated Anodyne Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000141624931 FD Annotated Anodyne Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000141646816 FD Annotated Anodyne COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000141649232 FD Annotated Anodyne Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1C ZINC000141649666 FD Annotated Anodyne O[C@H]1CC[C@@H](O)[C@]2(O)[C@H]1C[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000141798538 FD Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]2(CO)[C@H](CO)CCC[C@@H]2[C@@]1(C)CC/C(=C\CO)CO ZINC000141805930 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 ZINC000141893818 FD Annotated Anodyne Cc1onc(-c2ccncn2)c1COc1ccc(C(=O)NCCO)cn1 ZINC000142021136 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@@H](O)[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000142052157 FD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3nn4nccnc4c3C2)CO[C@@H]1c1cc(F)ccc1F ZINC000142148040 FD Annotated Anodyne CO[C@@H]1C[C@@H]2[C@H]([C@@H](OC)O1)[C@@](C)(O)C[C@H]2OC(=O)c1ccc(O)cc1 ZINC000142189939 FD Annotated Anodyne Cc1cccnc1-c1nc(N2CCN(S(C)(=O)=O)CC2)ncc1Cl ZINC000142284587 FD Annotated Anodyne COC(=O)CNc1ncc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cn1 ZINC000142358890 FD Annotated Mild COC(=O)CNc1ncc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cn1 ZINC000142359074 FD Annotated Mild COC(=O)[C@]1(O)[C@@H](O)[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000142444505 FD Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C(=O)C=C1CCN3C(=O)C2=O ZINC000142444807 FD Annotated Mild CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)n2)CC1 ZINC000142720504 FD Annotated Anodyne C[C@H]1CN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@@H](C)O1 ZINC000142861086 FD Annotated Anodyne O=S(=O)(N[C@@H]1CCNC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142912803 FD Annotated Anodyne CCOC(=O)CNC(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000142914475 FD Annotated Anodyne C=CCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000142972182 FD Annotated Anodyne C=CCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000142972725 FD Annotated Anodyne CN(Cc1cccc(-c2cnc(N3CCC(O)CC3)nc2)c1)C(=O)CN ZINC000142977845 FD Annotated Anodyne CN(Cc1cccc(-c2cnc(N3Cc4cccnc4C3)nc2)c1)C(=O)CN ZINC000142987206 FD Annotated Anodyne CCN/C(=N\S(=O)(=O)c1cccc(O)c1)N1CC2(C=N1)CCCC2 ZINC000143056441 FD Annotated Mild N#CCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O ZINC000143059241 FD Annotated Anodyne N#CCOc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O ZINC000143059461 FD Annotated Anodyne CC(C)Nc1nc(-c2cnn([C@@H](C)C(N)=O)c2)cc2ncn(C)c(=O)c12 ZINC000143147113 FD Annotated Anodyne CC(C)Nc1nc(-c2cnn([C@H](C)C(N)=O)c2)cc2ncn(C)c(=O)c12 ZINC000143147322 FD Annotated Anodyne C[C@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000143169438 FD Annotated Mild Cc1noc(-c2cnn3c(=O)cc(-c4ccc5c(c4)OCCO5)[nH]c23)n1 ZINC000143291684 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12O)[C@]43O ZINC000143337127 FD Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccnc3)CC1)C2 ZINC000143370121 FD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2ccc(C#N)cc21 ZINC000143384502 FD Annotated Anodyne O=C(COc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)NCCO ZINC000143497508 FD Annotated Anodyne O=C(COc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)NCCO ZINC000143497721 FD Annotated Anodyne NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccn3)CC1)C2 ZINC000143618340 FD Annotated Anodyne COC(=O)c1c(C)c2c(c(OC)c1O)C(=O)c1cc(O)cc(O)c1C2=O ZINC000143628363 FD Annotated Clean NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccncc3)CC1)C2 ZINC000143630197 FD Annotated Anodyne CN[C@]12CC3(C=CC(=O)C=C3)O[C@@]1(Cc1ccc(OC)cc1)N(C)C(=O)N2 ZINC000143653296 FD Annotated Mild COC(=O)[C@@]1(O)c2c(oc3cc(C)cc(O)c3c2=O)S[C@@H]1CCO ZINC000143660198 FD Annotated Anodyne O=C(c1nc2c(C(=O)NC[C@@H]3CCCNC3)ccnc2[nH]1)c1cccs1 ZINC000143725465 FD Annotated Anodyne O=C(c1nc2c(C(=O)NC[C@H]3CCCNC3)ccnc2[nH]1)c1cccs1 ZINC000143727012 FD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C ZINC000144077503 FD Annotated Anodyne Cc1cccn2cc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)nc12 ZINC000144093608 FD Annotated Anodyne Cn1cnc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2n1C ZINC000144094062 FD Annotated Anodyne Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc1nc2ccccc2s1 ZINC000144104583 FD Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c([C@H](O)c3cccs3)nc12 ZINC000144110094 FD Annotated Anodyne O=C(NC[C@@H]1CCCNC1)c1ccnc2[nH]c([C@@H](O)c3cccs3)nc12 ZINC000144110292 FD Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c([C@H](O)c3cccs3)nc12 ZINC000144113614 FD Annotated Anodyne O=C(NC[C@H]1CCCNC1)c1ccnc2[nH]c([C@@H](O)c3cccs3)nc12 ZINC000144113823 FD Annotated Anodyne C#CCn1c(Br)nc2c(N)nc(C#CC3(O)CCCCC3)nc21 ZINC000144150356 FD Annotated Mild C=C1[C@@H]2C(=O)C[C@H]3[C@]4(C)CC[C@@H](O)C(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000144208683 FD Annotated Mild N=C(N)c1ccc(OC(=O)c2ccc(C[C@@H](CCC(=O)O)C(=O)O)o2)cc1 ZINC000144382092 FD Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@@H]2C3=C[C@H]([C@H]4OC4(C)C)O[C@H]3O[C@H](O)[C@@H]12 ZINC000144489397 FD Annotated Mild O=C(c1nc2c(C(=O)N[C@H]3CCCNC3)ccnc2[nH]1)c1cccs1 ZINC000144631012 FD Annotated Anodyne OCCn1cc(-c2cnc3nnn(Cc4c[nH]c5ncccc45)c3n2)cn1 ZINC000144843360 FD Annotated Anodyne O=C(O)c1c(N2CCC(O)CC2)ccc(N2CCC(O)CC2)c1C(=O)O ZINC000144860380 FD Annotated Anodyne Cn1cnc2cc(Nc3cnccn3)nc(N[C@@H]3CC[C@H](O)CC3)c2c1=O ZINC000144894882 FD Annotated Anodyne NC(=O)c1cc(OCCO)cc2c1-c1ccccc1[C@]2(O)C(F)(F)F ZINC000144916766 FD Annotated Anodyne NC(=O)c1cc(OCCO)cc2c1-c1ccccc1[C@@]2(O)C(F)(F)F ZINC000144916987 FD Annotated Anodyne COc1ccc2nc3c(cc2c1)C(=O)N[C@H]1CN2[C@H](CCO)CC[C@]24C[C@]314 ZINC000144949036 FD Annotated Anodyne CC(C)(O)[C@@H]1Oc2c(O)cc3oc4cc(O)cc(O)c4c(=O)c3c2[C@H]1O ZINC000014514255 FD Annotated Bother O[C@H]1CO[C@H](c2ccccc2)O[C@@H]1[C@@H]1O[C@@H](c2ccccc2)OC[C@@H]1O ZINC000014586412 FD Annotated Anodyne CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000014587712 FD Annotated Anodyne in-man CC1=C(/C=C/[C@H](C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000014587713 FD Annotated Anodyne in-man CC1=C(/C=C/[C@@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000014587714 FD Annotated Anodyne in-man CC1=C(/C=C/[C@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000014587715 FD Annotated Anodyne in-man C/C=C(\C)C(=O)OC[C@](O)(COC(C)=O)c1cc(OC)c(C)cc1O ZINC000014588649 FD Annotated Anodyne CS[C@@]1(Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@H](CO)NC1=O ZINC000014593690 FD Annotated Anodyne COc1c(C)c(O)c2c(c1C)O[C@@H]1COc3c(O)cccc3[C@@]1(O)C2=O ZINC000014594365 FD Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccccc34)C[C@@H]12 ZINC000014594513 FD Annotated Anodyne in-vitro biogenic O=C1C=C(c2ccc(O)c3c2C(=O)[C@H]2O[C@H]2[C@H]3O)c2cccc(O)c2C1=O ZINC000014611609 FD Annotated Mild CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)[C@@H](O)C[C@@H]21 ZINC000014612334 FD Annotated Mild in-vitro C[C@@]1(CO)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)c2cc(CO)ccc21 ZINC000014612340 FD Annotated Mild C/C=C1/CN2CC[C@]34C(=C(CO)[C@H]1C[C@H]23)N(C(=O)CO)c1ccccc14 ZINC000014614974 FD Annotated Anodyne CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3 ZINC000014616131 FD Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000014620281 FD Annotated Anodyne Cc1cc2ccc3c(c2c[n+]1[C@@H](CC(N)=O)C(=O)O)O[C@@H](C(C)(C)O)C3 ZINC000014636680 FD Annotated Mild COc1c(O)cc2c(c1OC)C(=O)c1c(O)cc(CO)c(OC)c1C2=O ZINC000014645659 FD Annotated Clean COc1cc2c(c(OC)c1O)C(=O)c1c(O)cc(CO)c(OC)c1C2=O ZINC000014645661 FD Annotated Clean COc1cc2c(c(OC)c1OC)C(=O)c1c(O)cc(CO)c(OC)c1C2=O ZINC000014645663 FD Annotated Clean COc1ccc(C[C@H]2COC(=O)[C@]2(O)Cc2ccc(O)c(O)c2)cc1OC ZINC000014646917 FD Annotated Clean in-vitro biogenic COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)ccc1O ZINC000014646931 FD Annotated Anodyne COC(=O)C[C@@](O)(Cc1ccccc1)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 ZINC000014650458 FD Annotated Anodyne O=C1O[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)/C1=C\c1ccc(O)c(O)c1 ZINC000014650585 FD Annotated Clean O=C1O[C@@H](c2ccc(O)c(O)c2)[C@H](C(=O)O)/C1=C\c1ccc(O)c(O)c1 ZINC000014650589 FD Annotated Clean CO[C@]1(Cc2ccccc2)C(=O)N[C@](O)(Cc2ccccc2)C(=O)N1C ZINC000014655795 FD Annotated Anodyne O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O ZINC000014679381 FD Annotated Mild in-vivo O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@@H]3C[C@@]46O ZINC000014682115 FD Annotated Anodyne COc1cc(OC)c2c(c1)c(OC)c(C[C@H](O)C(C)(C)O)c(=O)n2C ZINC000014682502 FD Annotated Anodyne C/C=C(/CO)C(=O)OCC1=CC[N+]2([O-])CC[C@@H](OC(=O)C=C(C)C)[C@@H]12 ZINC000014685643 FD Annotated Bother C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@](O)(C=O)[C@H]1C[C@H]24 ZINC000014685673 FD Annotated Mild CC(=O)OC/C=C1/CN2CC[C@]34c5ccccc5N[C@H]3[C@H](CO)[C@H]1C[C@H]24 ZINC000014685681 FD Annotated Anodyne C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014686538 FD Annotated Clean C[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000014686550 FD Annotated Clean C[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000014686554 FD Annotated Clean CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000014686570 FD Annotated Clean CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000014686590 FD Annotated Clean COC(=O)/C(OC)=C(/OC)c1c(C(=O)OC)c(=O)c2ccccc2n1C ZINC000014691114 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000014693026 FD Annotated Anodyne in-man CC(=O)OC[C@@]12CCC(C)=C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000014693028 FD Annotated Anodyne in-man CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000014693030 FD Annotated Anodyne in-man C=C[C@@]12CNCC[C@@H]1[C@](C(=O)OC)(c1[nH]c3ccccc3c1C=O)CO2 ZINC000014693457 FD Annotated Mild C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)C(=O)CC[C@H](O)[C@@H]1C ZINC000014693979 FD Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@]1(C)C(=O)CC[C@H](O)[C@@H]1C ZINC000014693981 FD Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)C(=O)CC[C@H](O)[C@@H]1C ZINC000014693983 FD Annotated Anodyne in-man endogenous C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)C(=O)CC[C@H](O)[C@@H]1C ZINC000014693985 FD Annotated Anodyne in-man endogenous CC(=O)OC[C@@](C)(O)C1=CC(=O)[C@@H]([C@@]2(COC(C)=O)CC[C@@H]3O[C@@]32C)C1 ZINC000014709722 FD Annotated Mild in-vitro biogenic CC(=O)OC[C@](C)(O)C1=CC(=O)[C@H]([C@@]2(COC(C)=O)CC[C@@H]3O[C@@]32C)C1 ZINC000014709731 FD Annotated Mild COc1ccc(C[C@@]23CC4(C=CC(=O)C=C4)O[C@@]2(O)N(C)C(=N)N3C)cc1 ZINC000014713747 FD Annotated Mild CC(C)=C[C@@H]1N2C(=O)[C@@H]3CCCN3C(=O)C2=C[C@@]12C(=O)Nc1ccccc12 ZINC000014713992 FD Annotated Anodyne Cc1cc(O)c(CO)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)[C@H](O)OC3=O ZINC000014715902 FD Annotated Anodyne Cc1cc(O)c(C=O)c2c1C(=O)Oc1cc(O)c3c(c1O2)[C@@H](O)OC3=O ZINC000014718414 FD Annotated Anodyne COC(=O)[C@@]12Oc3ccc(O)cc3[C@@H]1C(=O)C(O)=C2c1ccc(O)c(O)c1 ZINC000014718528 FD Annotated Mild in-man endogenous COC(=O)[C@]12Oc3ccc(O)cc3[C@@H]1C(=O)C(O)=C2c1ccc(O)c(O)c1 ZINC000014718530 FD Annotated Mild in-man endogenous COC(=O)[C@@]12Oc3ccc(O)cc3[C@H]1C(=O)C(O)=C2c1ccc(O)c(O)c1 ZINC000014718532 FD Annotated Mild in-man endogenous COC(=O)[C@]12Oc3ccc(O)cc3[C@H]1C(=O)C(O)=C2c1ccc(O)c(O)c1 ZINC000014718534 FD Annotated Mild in-man endogenous COC1=C(OC)[C@@H]2[C@@H]3Cc4cc(O)c(OC)cc4[C@]2(CCN3C)CC1=O ZINC000014719952 FD Annotated Mild C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC/C(=C/CO)CO ZINC000014726390 FD Annotated Anodyne COC(=O)[C@@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(O)c(O)c1 ZINC000014726943 FD Annotated Clean COc1cc([C@H]2c3cc(O)c(OC)cc3C[C@]3(O)C(=O)OC[C@H]23)ccc1O ZINC000014727243 FD Annotated Anodyne COC(=O)c1c(C)c(O)c2c(c1O)C(=O)c1c(O)cc(OC)cc1C2=O ZINC000014760961 FD Annotated Clean COc1cc(OC)c2c(c1)C(=O)c1c(O)c(C)c(C(=O)O)c(O)c1C2=O ZINC000014760965 FD Annotated Clean C[C@]1(O)CC(=O)c2c(c(O)c(O)c3c2C(=O)c2cccc(O)c2C3=O)C1 ZINC000014764891 FD Annotated Clean C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC/C=C(\CO)[C@H](O)C[C@@H]12 ZINC000014809507 FD Annotated Mild C=C(C)C(=O)O[C@@H]1C[C@H](CO)CCCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21 ZINC000014809719 FD Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000014812328 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000014812330 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000014812332 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000014812334 FD Annotated Mild in-man endogenous C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)C1=CCOC1=O ZINC000014812729 FD Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=CCOC1=O ZINC000014812731 FD Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)C1=CCOC1=O ZINC000014812733 FD Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C[C@@H](O)C1=CCOC1=O ZINC000014812735 FD Annotated Mild C/C(=C\CO)C(=O)O[C@H]1C(=O)C(CO)=C[C@H](OC(=O)C(C)C)[C@@H]1C(C)C ZINC000014813615 FD Annotated Mild Cc1cc(O)c2c(c1)C(=O)c1cc(OCC=C(CO)CO)cc(O)c1C2=O ZINC000014814367 FD Annotated Clean C=CC[C@@]12C=C(OC)C(=O)[C@@](O)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000014814783 FD Annotated Mild Cc1cc(O)c2c(=O)c3c(O)cc(OCC=C(CO)CO)cc3oc2c1 ZINC000014815327 FD Annotated Bother C=C1C(=O)O[C@@H]2C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H](OC(C)=O)[C@@H]12 ZINC000014820317 FD Annotated Anodyne O[C@@H]1c2ccc3c(c2O[C@@H]2COc4cc5c(cc4[C@@]21O)OCO5)OCO3 ZINC000014826748 FD Annotated Anodyne in-vitro biogenic CC[C@@]12C[C@@]3(C(=O)OC)O[C@@H]1[C@@H](O)CN1CCc4c(n3c3ccccc43)[C@@H]12 ZINC000014829372 FD Annotated Anodyne CN1C(=N)N(C)[C@](O)(Cc2c[nH]c3cc(Br)ccc23)C1=O ZINC000014854581 FD Annotated Anodyne CON1C(=O)[C@H]2NC(=O)[C@@]13Oc1cc(O)c(Cl)cc1[C@@H]3SS2 ZINC000014857341 FD Annotated Reactive CC1(C)CCC[C@@]2(C)[C@@H]3C[C@]4(O)O[C@]3([C@@H](O)C3=C4OC(=O)C3)[C@H](O)C[C@H]12 ZINC000014858769 FD Annotated Anodyne CC1(C)[C@@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O ZINC000014860718 FD Annotated Anodyne in-man endogenous CC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O ZINC000014860719 FD Annotated Anodyne in-man endogenous CO[C@@H]1C=C[C@@]23c4cc5c(cc4CN(CO[C@H]2COC(C)=O)[C@@H]3C1)OCO5 ZINC000014916800 FD Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1[C@H](O)CN3CCC2 ZINC000014922207 FD Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@@H](C(C)=O)[C@@H]1NCCc1c2n(c2ccccc12)[C@@H]3O ZINC000014923232 FD Annotated Anodyne CC1=C(C(C)C)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O ZINC000014926994 FD Annotated Anodyne in-man endogenous CC1=C(C(C)C)C[C@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@H](C)[C@@H]3O ZINC000014926996 FD Annotated Anodyne in-man endogenous CC1=C(C(C)C)C[C@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O ZINC000014926998 FD Annotated Anodyne in-man endogenous CC1=C(C(C)C)C[C@@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@H](C)[C@@H]3O ZINC000014927000 FD Annotated Anodyne in-man endogenous CC(C)C1=CC(=O)[C@@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O ZINC000014927016 FD Annotated Mild in-man endogenous CC(=O)c1s/c(=N\S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C)c1C ZINC000014944852 FD Annotated Bother CS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3ccc4[nH]ncc4c32)cc1 ZINC000014945787 FD Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2cnns2)s1)C(=O)NO ZINC000014946077 FD Annotated Anodyne CN[C@@H](C#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2)CO ZINC000014947107 FD Annotated Mild CN[C@H](C#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2)CO ZINC000014947109 FD Annotated Mild CCN[C@H](C#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2)CO ZINC000014947110 FD Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](N)[C@@H](C)O)c21 ZINC000014947112 FD Annotated Mild CN[C@H](C#Cc1c(F)ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2)[C@@H](C)O ZINC000014947113 FD Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@@H](O)CN3)c21 ZINC000014947119 FD Annotated Mild COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H]3C[C@H](O)CN3)c21 ZINC000014947120 FD Annotated Mild CC1=C(C(=O)N2CCC[C@@H](CCC(=O)N3CCOCC3)C2)OCCO1 ZINC000014952532 FD Annotated Anodyne CC1=C(C(=O)N2CCC[C@H](CCC(=O)N3CCOCC3)C2)OCCO1 ZINC000014952537 FD Annotated Anodyne CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21 ZINC000014953526 FD Annotated Clean NC(=O)C1(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000014954723 FD Annotated Anodyne NC(=O)C1(C(=O)N[C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000014954727 FD Annotated Anodyne CC(C)CSC[C@@H](N)[C@H](O)C(=O)NNC(=O)c1cccc(Cl)c1 ZINC000014965002 FD Annotated Reactive Cc1cc(CS/C(N)=N/C(=N)N)c(C)cc1CS/C(N)=N/C(=N)N ZINC000014966613 FD Annotated Mild O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CN1CCCOCC1 ZINC000014967215 FD Annotated Anodyne O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CN1CCCOCC1 ZINC000014967219 FD Annotated Anodyne OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1 ZINC000014968095 FD Annotated Anodyne C[C@@H]1CC(=O)[C@@]23CO[C@@H](O)[C@@H]2CC(=O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000014970837 FD Annotated Anodyne O=C(CCn1cnnn1)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1 ZINC000014974479 FD Annotated Anodyne O=C(CCn1cnnn1)N1CC[C@]2(CCCN(Cc3ccccc3F)C2)C1 ZINC000014974482 FD Annotated Anodyne CCCS(=O)(=O)N1CCc2ccc(NC(=O)[C@@H]3CCCO3)cc2C1 ZINC000014977626 FD Annotated Anodyne CCCS(=O)(=O)N1CCc2ccc(NC(=O)[C@H]3CCCO3)cc2C1 ZINC000014977629 FD Annotated Anodyne CC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1cccnc1)CC2 ZINC000014994007 FD Annotated Anodyne CC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccnc1)CC2 ZINC000014994009 FD Annotated Anodyne O=C1C[C@@H](O)C2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](O)CC[C@H]2O ZINC000145041094 FD Annotated Anodyne CN1CCc2cc3c(cc2[C@@]12[C@H](O)c1ccc4c(c1[C@H]2O)OCO4)OCO3 ZINC000145365666 FD Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2nc([C@@H](O)c3cccs3)[nH]c12 ZINC000145371396 FD Annotated Anodyne O=C(N[C@H]1CCCNC1)c1ccnc2nc([C@H](O)c3cccs3)[nH]c12 ZINC000145371624 FD Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](O)C[C@H](O)[C@@H]2C[C@@H](O)[C@@H]1O2 ZINC000145432508 FD Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)[C@H]2/C=C\C[C@@H](O)[C@H](O)C[C@@H](O)[C@@H]1O2 ZINC000145432931 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C)C[C@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000145572641 FD Annotated Anodyne C[C@H]1C(=O)NN=C2COc3cc(C(F)(F)F)c(NC4CNC4)cc3N21 ZINC000145597845 FD Annotated Anodyne C[C@@H]1C(=O)NN=C2COc3cc(C(F)(F)F)c(NC4CNC4)cc3N21 ZINC000145598003 FD Annotated Anodyne C[C@H]1C(=O)NN=C2COc3cc(-c4ccccc4)c(NC4CNC4)cc3N21 ZINC000145667045 FD Annotated Anodyne C[C@@H]1C(=O)NN=C2COc3cc(-c4ccccc4)c(NC4CNC4)cc3N21 ZINC000145667257 FD Annotated Anodyne C[C@@H](Oc1cc(-c2cnn(CCO)c2)cc2ncccc12)[C@H]1CNC(=O)C1 ZINC000146218783 FD Annotated Anodyne C[C@@H]1C[C@]23CO[C@](C)(C2)[C@H](O)CC[C@@H]3[C@@]1(CO)CC/C(=C/CO)CO ZINC000146259803 FD Annotated Anodyne CC1=CCC[C@H]2[C@](C=O)(C[C@@H](C)[C@]2(CO)CC/C(=C/CO)CO)[C@@H]1O ZINC000146260005 FD Annotated Mild CC1=CCC[C@@H]2[C@@](CO)(CC/C(=C/CO)CO)[C@H](C)C[C@]2(C(=O)O)[C@@H]1O ZINC000146260204 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@@]41CCN(C(=O)[C@@H]4O[C@@H]42)[C@@H]31 ZINC000146422650 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1 ZINC000146610185 FD Annotated Mild N#Cc1c([C@H]2C[C@@H]2C(N)=O)[nH]c(SCc2cccc(F)c2F)nc1=O ZINC000146674394 FD Annotated Anodyne Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(Cc2ccco2)CC1 ZINC000146717827 FD Annotated Anodyne C/C=C1/CN2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000146739561 FD Annotated Anodyne C/C=C1/CN2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1[C@H](CO)C(=O)OC ZINC000146739747 FD Annotated Anodyne O=C1C[C@@]23CC[C@@]45[C@@H](CCN(CC[C@H]2O)[C@@H]34)c2cc3c(cc2N15)OCO3 ZINC000146842595 FD Annotated Anodyne C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@H](O)c1ccoc1)[C@H](O)OC[C@]342 ZINC000146989604 FD Annotated Mild C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)[C@](O)(CO)[C@H]3O ZINC000147120786 FD Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)[C@](O)(CO)C3=O ZINC000147121577 FD Annotated Anodyne Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1 ZINC000147173905 FD Annotated Anodyne NC[C@@]12C[C@H]1CN(c1nc3c(cc1F)c(=O)c(C(=O)O)cn3C1CC1)C2 ZINC000147390969 FD Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)c(OS(=O)(=O)O)cc1C2=O ZINC000148005177 FD Annotated Clean CN1C=CN(CCOCCN(C)S(=O)(=O)C(F)(F)F)/C1=C\N=O ZINC000148130452 FD Annotated Anodyne CCc1ncnc(N2CCc3ncncc3C2)c1C#Cc1ccc(N)nc1 ZINC000148816113 FD Annotated Mild O=C1CN=C(n2cnc(CCO)c2)C=C2c3cccc(C4CC4)c3CCN12 ZINC000149010205 FD Annotated Anodyne Cc1ccc(NC[C@]2(/N=C/c3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000149134069 FD Annotated Mild Cc1ncnc(N2CCC3(CC2)OCCCO3)c1C#Cc1ccc(N)nc1 ZINC000149160018 FD Annotated Mild CCc1ncnc(N2CCn3c(C)cnc3C2)c1C#Cc1ccc(N)nc1 ZINC000149186772 FD Annotated Mild Cn1ccc(C2=NCC(=O)N3CCc4c(cccc4C(C)(C)O)C3=C2)n1 ZINC000149213383 FD Annotated Anodyne CCc1ncnc(N2CCN(C(=O)OC)CC2)c1C#Cc1ccc(N)nc1 ZINC000149216256 FD Annotated Mild Cc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1 ZINC000149237150 FD Annotated Mild CCc1ncnc(N2CCC[C@H](NC(C)=O)C2)c1C#Cc1ccc(N)nc1 ZINC000149239587 FD Annotated Mild CCc1ncnc(N2CCC[C@@H](NC(C)=O)C2)c1C#Cc1ccc(N)nc1 ZINC000149239784 FD Annotated Mild CCc1ncnc(N2CCC3(CC2)OCCO3)c1C#Cc1ccc(N)nc1 ZINC000149240513 FD Annotated Mild COCc1ncn(C2=NCC(=O)N3CCc4c(cccc4C4CC4)C3=C2)n1 ZINC000149243274 FD Annotated Anodyne CCc1ncnc(N2CCN(C(C)=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149259444 FD Annotated Mild CC(=O)N1CCCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1 ZINC000149277722 FD Annotated Mild CCc1ncnc(N2CCN(CCOC)CC2)c1C#Cc1ccc(N)nc1 ZINC000149294094 FD Annotated Mild CC#Cc1cc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)ncn1 ZINC000149294198 FD Annotated Anodyne CC#Cc1cc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)ncn1 ZINC000149294395 FD Annotated Anodyne CCc1ncnc(N2CCC(NC(C)=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149294408 FD Annotated Mild CC(=O)N[C@@H]1CCCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)C1 ZINC000149295878 FD Annotated Mild CC(=O)N[C@H]1CCCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)C1 ZINC000149296084 FD Annotated Mild CCc1ncnc(N2CCN(C(C)C)CC2)c1C#Cc1ccc(N)nc1 ZINC000149307889 FD Annotated Mild Cc1ncnc(N2CCN(CC(C)(C)O)CC2)c1C#Cc1ccc(N)nc1 ZINC000149326683 FD Annotated Mild CC(=O)NC1CCN(c2ncnc(C)c2C#Cc2ccc(N)nc2)CC1 ZINC000149426007 FD Annotated Mild CC(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O[C@H](C)CCC(=O)/C=C/C(=O)O ZINC000149491309 FD Annotated Mild CC(=O)O[C@@H]1/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O[C@H](C)CC1 ZINC000149498197 FD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cnc3CO)nc12 ZINC000149789228 FD Annotated Anodyne Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C(N)=O)n1 ZINC000149851710 FD Annotated Anodyne COc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1 ZINC000149938689 FD Annotated Anodyne CCc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)c(F)c2)cc(C(N)=O)n1 ZINC000149952779 FD Annotated Anodyne CC(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001529709 FD Annotated Reactive in-vitro CC(=O)OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001529711 FD Annotated Reactive in-vitro CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000001529712 FD Annotated Reactive in-vitro COC(=O)C[C@](O)(Cc1ccccc1)C(=O)OC[C@@H]1CCN2CCC[C@@H]12 ZINC000001531780 FD Annotated Anodyne N[C@H](Cc1nc2cc(Cl)c(Cl)cc2n1CP(=O)(O)O)C(=O)O ZINC000001534021 FD Annotated Anodyne CC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C(C)=C(N1CC1)C2=O ZINC000001534701 FD Annotated Mild CN(C)CCn1nc2c3c(c(NCCN)ccc31)C(=O)c1ccncc1-2 ZINC000001538982 FD Annotated Clean CCc1cc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2cc1CC ZINC000001542747 FD Annotated Anodyne CN(C)CCCNc1c(C#N)[n+]([O-])c2cc(C(F)(F)F)ccc2[n+]1[O-] ZINC000001543314 FD Annotated Mild CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@@H]([C@H]12)[C@H]5C[C@H]43 ZINC000001562722 FD Annotated Anodyne CCOC(=O)CC1(O)C=C(Br)C(=O)C(Br)=C1 ZINC000001565178 FD Annotated Mild COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@]2(O)CCCC(=O)[C@]12C ZINC000001620906 FD Annotated Anodyne O=c1[nH]cc(COCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(=O)[nH]1 ZINC000001631736 FD Annotated Mild COc1cc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O ZINC000001632106 FD Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O ZINC000001632107 FD Annotated Reactive CC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CC[C@H](C[C@H]1OC(C)=O)[C@H]23)OCO4 ZINC000001634484 FD Annotated Anodyne in-vitro CCN(CC)C(=O)Cc1c(C(=O)N(CC)CC)c(=O)nc2sccn12 ZINC000001634557 FD Annotated Anodyne COc1cc(COC(=O)N2CSC[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001634804 FD Annotated Bother COc1cc(COC(=O)N2CC=C[C@@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000001634809 FD Annotated Bother CO[C@H]1[C@@H](O)[C@@]2(C)c3ccc4c(c3C(=O)c3occ(c32)[C@H]1O)CCC4=O ZINC000001636672 FD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCN(C)CCCCn1ccnc1[N+](=O)[O-] ZINC000001639108 FD Annotated Bother C=C(Br)CNC(=O)CCC(=O)NCC(=C)Br ZINC000001639306 FD Annotated Mild CS(=O)(=O)N1C[C@H](CI)c2ccc(O)cc21 ZINC000001645439 FD Annotated Reactive O=C(c1cccc2ccccc12)C1S(=O)(=O)OCCOS1(=O)=O ZINC000001647413 FD Annotated Mild O=C1C(Cl)=CC2(C=C1Cl)CCNC1=C2C(=O)c2nc[nH]c2C1=O ZINC000001647579 FD Annotated Mild O=C1[C@H]2CC=CC[C@@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000001648816 FD Annotated Anodyne O=C(n1nc(O)n(-c2ccc([N+](=O)[O-])cc2)c1=O)C(Cl)(Cl)Cl ZINC000001648826 FD Annotated Bother O=S1(=O)OCCOS(=O)(=O)C1C1c2ccccc2-c2ccccc21 ZINC000001650610 FD Annotated Mild O=C1CC(=O)NC(NN2C(=O)CS[C@@H]2c2ccc(Cl)c(Cl)c2)=N1 ZINC000001651110 FD Annotated Anodyne CC(=O)O[C@H](C#N)CC(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C[C@H](C#N)OC(C)=O ZINC000001651341 FD Annotated Mild O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCCC1 ZINC000001652402 FD Annotated Anodyne O=C(CN1CCOCC1)c1ccc2c(c1)oc(=O)n2CCN1CCCC1 ZINC000001652413 FD Annotated Anodyne COc1ccc(-c2c(-c3ccc(OC)cc3)n3c(=O)n(C)c(=O)n23)cc1 ZINC000001652596 FD Annotated Anodyne COc1cc(OC)nc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)n1 ZINC000001653319 FD Annotated Mild CN(C)C(=O)C(F)(F)[C@H](c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000001654930 FD Annotated Anodyne COc1cc(C)c(S(=O)(=O)N(CCCN)OCCCN)c(C)c1C ZINC000001655144 FD Annotated Anodyne COc1cc2nc3c(=C(C#N)C#N)c4ccccc4n3c(=O)c2cc1OC ZINC000001655208 FD Annotated Mild COC(=O)/C=C1\C(=O)C=C2[C@@H]3C[C@H]4C[C@H](CC[C@@]4(C)N21)[C@@]3(C)NC(C)=O ZINC000001655254 FD Annotated Mild C1CN(c2nc3c(nnc4nc(N5CCOCC5)sc43)s2)CCO1 ZINC000001656822 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@]46O ZINC000001657257 FD Annotated Anodyne Cc1ncc(CO)c(/C=N/CC/N=C/c2c(CO)cnc(C)c2O)c1O ZINC000001660306 FD Annotated Mild C[C@H](NC(=O)c1ccccc1SC(=O)NCC[n+]1ccccc1)C(N)=O ZINC000001661909 FD Annotated Anodyne NC(=O)CCNC(=O)c1ccccc1SC(=O)NCC[n+]1ccccc1 ZINC000001661910 FD Annotated Anodyne NC(=O)CCNC(=O)c1ccccc1SC(=O)NCCBr ZINC000001662794 FD Annotated Reactive Cc1ccc(NC[C@@]2(/N=C/c3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000001679344 FD Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000001704716 FD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H]4C(=CCO[C@H]5CC(=O)N(c6ccccc62)[C@H]3[C@H]54)C1 ZINC000001716562 FD Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000001723470 FD Annotated Anodyne CC(=O)OC[C@H]1C(=O)OC[C@@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000001723471 FD Annotated Anodyne CC(=O)OC[C@@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000001723472 FD Annotated Anodyne CC(=O)OC[C@H]1C(=O)OC[C@H]1C(=O)N1Cc2cc3ccccc3nc2C1 ZINC000001723473 FD Annotated Anodyne CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000001726298 FD Annotated Anodyne in-man CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@]12Nc1ccccc1C2=O)NC4=O ZINC000001743453 FD Annotated Anodyne O=S(=O)(N[C@@H]1OCCC[C@@H]1I)c1ccccc1 ZINC000001857539 FD Annotated Reactive O=S(=O)(N[C@H]1OCCC[C@@H]1I)c1ccccc1 ZINC000001857540 FD Annotated Reactive O=S(=O)(N[C@@H]1OCCC[C@H]1I)c1ccccc1 ZINC000001857542 FD Annotated Reactive O=S(=O)(N[C@H]1OCCC[C@H]1I)c1ccccc1 ZINC000001857545 FD Annotated Reactive O=C1[C@H]2CCCC[C@@H]2C(=O)N1n1c(Cc2ccc(Cl)cc2)n[nH]c1=O ZINC000001857988 FD Annotated Anodyne Cc1c(C)c2c(c(N)c1C#N)C(=O)N(OS(=O)(=O)c1ccccc1)C2=O ZINC000001859594 FD Annotated Mild Cc1nc2nnc(CCCCCCCCc3nnc4nc(C)[nH]n34)n2[nH]1 ZINC000001859717 FD Annotated Anodyne NS(=O)(=O)c1nn2c(Br)c(-c3ccccc3)nc2s1 ZINC000001860397 FD Annotated Anodyne Cc1ncc(COP(=O)(O)O)c(/C=C2\SC(=S)NC2=O)c1O ZINC000001860836 FD Annotated Clean CCc1nn(S(=O)(=O)c2ccc(C)cc2)c2c1CS(=O)(=O)CC2 ZINC000001861238 FD Annotated Anodyne CCOP(=O)(/C=C/n1cnc2c(=O)n(C(C)=O)c(N)nc21)OCC ZINC000001863410 FD Annotated Anodyne CCOP(=O)(/C=C\n1cnc2c(=O)n(C(C)=O)c(N)nc21)OCC ZINC000001863413 FD Annotated Anodyne CC(=O)Oc1c2c(c3n(c1=O)CCCC3)C(=O)N(c1ccccc1)C2=O ZINC000001863598 FD Annotated Anodyne O=C(CO)CNNc1nc(Nc2ccccc2)nc(N2CCCCC2)n1 ZINC000001881688 FD Annotated Anodyne CO[C@H]1OC(C(=O)NCCCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000001887562 FD Annotated Mild C=CCCCCCCCC[C@@H]1C[C@@]2(OC(=O)[C@H](O)[C@]2(O)C(=O)O)C(=O)O1 ZINC000001905497 FD Annotated Mild CCCCCCCCCC[C@@H]1C[C@@]2(OC(=O)[C@H](O)[C@]2(O)C(=O)O)C(=O)O1 ZINC000001905500 FD Annotated Mild CC(C)(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)ncnc21 ZINC000001908236 FD Annotated Anodyne CC(=O)OCCOCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O ZINC000001915851 FD Annotated Anodyne C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)CCC1=CCOC1=O ZINC000015050194 FD Annotated Anodyne C[C@@H]1CC[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000015050261 FD Annotated Anodyne C[C@@H]1CC[C@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]1(C)C[C@@H](O)C1=CC(=O)OC1 ZINC000015050269 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/CO)CC[C@H](OC(=O)C(C)C)C3=C[C@@H](OC3=O)[C@@H]12 ZINC000015058764 FD Annotated Anodyne biogenic CN(Cc1ccsc1)[C@H]1CN(S(=O)(=O)c2ccccc2)C[C@@H]1O ZINC000015064221 FD Annotated Anodyne Cc1csc(CN(C)C(=O)C[C@H]2C(=O)NCCN2CCC(C)C)n1 ZINC000015066114 FD Annotated Anodyne Cc1csc(CN(C)C(=O)C[C@@H]2C(=O)NCCN2CCC(C)C)n1 ZINC000015066115 FD Annotated Anodyne COC[C@@H]1CCCN(C(=O)c2ccc(N(C)CCc3cnn(C)c3)nc2)C1 ZINC000015066345 FD Annotated Anodyne COC[C@H]1CCCN(C(=O)c2ccc(N(C)CCc3cnn(C)c3)nc2)C1 ZINC000015066346 FD Annotated Anodyne O=C1N(CC2CCCCC2)CCC[C@@]1(O)CNCc1n[nH]c2c1CCC2 ZINC000015073547 FD Annotated Anodyne O=C1N(CC2CCCCC2)CCC[C@]1(O)CNCc1n[nH]c2c1CCC2 ZINC000015073548 FD Annotated Anodyne COc1cc(CNCc2cccnc2N2CCOCC2)cc2c1OCO2 ZINC000015074137 FD Annotated Anodyne COCCCNc1nc2nonc2nc1N1CCC(N2CCCC2)CC1 ZINC000015074863 FD Annotated Anodyne C=C[C@]1(C)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)C(C)C)[C@H]1C(=C)C=O ZINC000015108096 FD Annotated Reactive C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000015111202 FD Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000015111203 FD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000015111205 FD Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000015111206 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1[C@H]2[C@H](C)C(=O)O[C@H]2[C@H](O)[C@@H](C)[C@H]2C=CC(=O)[C@]21C ZINC000015111208 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1[C@H]2[C@H](C)C(=O)O[C@H]2[C@H](O)[C@H](C)[C@H]2C=CC(=O)[C@]21C ZINC000015111209 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1[C@H]2[C@H](C)C(=O)O[C@H]2[C@@H](O)[C@@H](C)[C@H]2C=CC(=O)[C@]21C ZINC000015111211 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1[C@H]2[C@H](C)C(=O)O[C@H]2[C@@H](O)[C@H](C)[C@H]2C=CC(=O)[C@]21C ZINC000015111212 FD Annotated Mild N=C(N)NCC[C@H]1OC(=O)c2oc3cc(C(=O)O)nc4ccc(O)c(c21)c43 ZINC000015122236 FD Annotated Anodyne COc1c2c(cc3c1OCO3)[C@]13C[C@@H](OC)[C@@H](O)C=C1CCN3CCC2 ZINC000015148609 FD Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@@H](C)O)[C@@H]1C[C@@H]32 ZINC000015149227 FD Annotated Bother COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@H]([C@@H](C)O)[C@@H]1C[C@@H]32 ZINC000015149231 FD Annotated Bother O=C1c2c(O)cccc2[C@@]2(O)C[C@@H]1[C@]13O[C@]21C(=O)c1c(O)cccc1C3=O ZINC000015151358 FD Annotated Clean C[C@]1(O)CC(=O)[C@@]23COC(=O)[C@@H]2CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015157225 FD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015157287 FD Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 ZINC000015157311 FD Annotated Anodyne C[C@]1(O)C[C@@H](O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015157316 FD Annotated Anodyne C[C@]1(O)CC(=O)[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000015157320 FD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3 ZINC000015159067 FD Annotated Mild C[C@]12CC[C@@]34COC(=O)[C@@H]3C=CC(=O)[C@@H]4[C@@]1(C)C[C@@H](C1=CC(=O)O[C@@H]1O)O2 ZINC000015165851 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(CCC[C@@]2(C)CO[C@H](O)[C@@H]12)COC3=O ZINC000015199432 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O ZINC000015199446 FD Annotated Mild in-vitro biogenic CC(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)[C@@H](C)C[C@@H]3OC(=O)[C@@]1(C)[C@@H]32 ZINC000015200355 FD Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](C)(O)C[C@@H]3O ZINC000015215789 FD Annotated Clean COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=C[C@@]14O[C@H]4C(=O)N3CCC2 ZINC000015217680 FD Annotated Anodyne COc1cc2c(cc1OC)[C@@]13C[C@@H](OC)C=C[C@@]14O[C@H]4C(=O)N3CCC2 ZINC000015217683 FD Annotated Anodyne in-vitro biogenic CO[C@]1(Cc2ccc(OCC=C(C)C)cc2)NC(=O)[C@@H](SC)NC1=O ZINC000015248546 FD Annotated Anodyne C=CC(C)(C)C(=O)Nc1ccccc1C(=O)/C=C1\NC(=O)[C@H](C)NC1=O ZINC000015262478 FD Annotated Mild O=C1O/C(=C(\C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc(O)c(O)c(O)c1 ZINC000015262653 FD Annotated Clean in-man O=C1O/C(=C/c2ccc(O)c(O)c2)C(=O)C(c2cc(O)ccc2O)=C1O ZINC000015263898 FD Annotated Mild in-man COC1=C(OC)[C@@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@@H]1O ZINC000015267749 FD Annotated Anodyne COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@H]1O ZINC000015267751 FD Annotated Anodyne in-vitro biogenic Cc1cc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2F)cc(C(N)=O)n1 ZINC000150027558 FD Annotated Anodyne N#Cc1ccc([C@]23CN(c4ncc(F)cn4)C[C@H]2CSC(N)=N3)s1 ZINC000150122923 FD Annotated Mild Cc1c(N2CCC(O)CC2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000150562299 FD Annotated Anodyne C[C@]1(O)C[C@@H](O)[C@@]23COC(=O)[C@@]12CCC/C3=C1/C[C@H](c2ccoc2)OC1=O ZINC000153959673 FD Annotated Anodyne O=C1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)=NN1 ZINC000015613932 FD Annotated Anodyne CCOC(=O)Cc1c(C)nc2nc(NCc3ccccc3OC)nn2c1O ZINC000015668923 FD Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3cccc(OC)c3OC)nc2n1 ZINC000015668951 FD Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(SC)cc3)nc2n1 ZINC000015668964 FD Annotated Anodyne COC(=O)Cc1cc(O)n2nc(NCc3ccc(OC(C)C)cc3)nc2n1 ZINC000015668979 FD Annotated Anodyne C=CCc1cc(/C=C2/C(=O)NC(=S)N(CC=C)C2=O)cc(OC)c1O ZINC000015722739 FD Annotated Mild CCCN1CCN(c2ncc3c(n2)CCN(Cc2ccccn2)C3)CC1 ZINC000015779579 FD Annotated Anodyne COC1=C/C(=C/NNC(=O)c2ccc(N3CCCC3=O)cc2)C=CC1=O ZINC000015837018 FD Annotated Reactive COc1ccc(C2=NN=C/C2=C\NNC(=O)c2ccncc2)c(OC)c1 ZINC000015837317 FD Annotated Reactive COC1=C/C(=C/NNC(=O)c2cccc(N3CCCC3=O)c2)C=CC1=O ZINC000015885058 FD Annotated Reactive O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000015885139 FD Annotated Reactive COC1=C/C(=C\NNC(=O)c2ccc(N3CCCC3=O)cc2)C(=O)C=C1 ZINC000015885164 FD Annotated Reactive COC1=C/C(=C\NNC(=O)c2cccc(N3CCCC3=O)c2)C(=O)C=C1 ZINC000015885166 FD Annotated Reactive O=C1C=CC=C/C1=C\NNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000015885231 FD Annotated Reactive O=C1C=CC=C/C1=C\NNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000015885233 FD Annotated Reactive CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 ZINC000015899864 FD Annotated Reactive CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C3)cc1 ZINC000015899866 FD Annotated Reactive Cn1c(O)c(C(=O)NNC(=O)c2ccccc2F)c(=O)c2ccccc21 ZINC000015913583 FD Annotated Reactive CNC(=S)N/N=C\c1c(C(=O)OC)cnn1-c1ccc(F)cc1F ZINC000015924068 FD Annotated Mild C[C@@H](CN1C(=O)C(=O)NC[C@@H]1C)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000015924789 FD Annotated Anodyne Cc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCC(N)=O)cc1 ZINC000015924842 FD Annotated Bother NC(=O)CCn1c(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2[n+]1[O-] ZINC000015924920 FD Annotated Bother O=C(CCc1ccc(O)c(O)c1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000015934493 FD Annotated Reactive COc1ccc2c(C(=O)c3ccc(C)cc3)n(CCC(N)=O)[n+]([O-])c2c1 ZINC000015934852 FD Annotated Anodyne NC1=NC(=O)/C(=C/c2cccc(-c3ccc(S(N)(=O)=O)cc3)c2)S1 ZINC000015935003 FD Annotated Clean CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C ZINC000015935512 FD Annotated Anodyne C[C@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C)c1ccccc1 ZINC000015935514 FD Annotated Anodyne CC1CCN(C(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000015937089 FD Annotated Anodyne CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 ZINC000015937093 FD Annotated Anodyne C[C@@H](NC(=O)c1[nH]cnc1C(=O)NCC(=O)OC(C)(C)C)c1ccccc1 ZINC000015937098 FD Annotated Anodyne O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000015944048 FD Annotated Anodyne O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000015944050 FD Annotated Anodyne COc1ccc(NC(=O)c2[nH]cnc2C(=O)NCC(=O)OC(C)(C)C)cc1 ZINC000015952252 FD Annotated Anodyne CC1CCN(C(=O)c2nc[nH]c2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000015952265 FD Annotated Anodyne C=CCS/C(N)=N/N/C=C1\C=C(Br)C=C([N+](=O)[O-])C1=O ZINC000015952532 FD Annotated Mild CCOC(=O)/C(N=O)=C(\C)NNC(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000015952620 FD Annotated Reactive CCOC1=C/C(=C/NNC(=O)CCn2nnc3ccccc32)C=CC1=O ZINC000015952652 FD Annotated Reactive CCc1nnc(S)n1N/C=C1/C=C(Br)C(=O)C(OC)=C1 ZINC000015952934 FD Annotated Mild Cc1ccc(S(=O)(=O)NN/C=C2\C=CC(=O)C=C2O)cc1[N+](=O)[O-] ZINC000015952958 FD Annotated Mild COC1=C/C(=C/NN2C(=O)CSC2=S)C=C(Br)C1=O ZINC000015953047 FD Annotated Mild CS(=O)(=O)c1nsc2nc(=O)c(/C=C3\C=Nc4ccccc43)c(N)n12 ZINC000015953229 FD Annotated Anodyne O=C(CCC(=O)Nc1ccc(F)cc1)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O ZINC000015953259 FD Annotated Reactive C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC000015961117 FD Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cnc[nH]3)C2)C1 ZINC000015961120 FD Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC000015961122 FD Annotated Anodyne Cc1ccc(OCC(=O)NN/C=C2/C=CC(=O)C([N+](=O)[O-])=C2)c([N+](=O)[O-])c1 ZINC000015961126 FD Annotated Reactive COC1=C/C(=C/N/N=C2/SCC(=O)N2c2ccc(O)cc2)C=CC1=O ZINC000015961583 FD Annotated Mild COC1=C/C(=C/Nn2c(S)nnc2-c2[nH]nc3c2CCC3)C=CC1=O ZINC000015962004 FD Annotated Mild CCOC1=C/C(=C/NNC(=O)CC(=O)NCCc2ccccc2)C=CC1=O ZINC000015962404 FD Annotated Reactive Cc1ccn2c(O)c(C(=O)NCCCN3CCCC[C@H]3C)c(=O)nc2c1 ZINC000015962661 FD Annotated Anodyne Cc1ccn2c(O)c(C(=O)NCCCN3CCCC[C@@H]3C)c(=O)nc2c1 ZINC000015962663 FD Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000015962847 FD Annotated Anodyne COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H](C)Nc2ccccc2C)C1=O ZINC000015974057 FD Annotated Reactive COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H](C)Nc2ccccc2C)C1=O ZINC000015974058 FD Annotated Reactive O=C(CNC(=O)c1ccccc1F)NN/C=C1\C=NN=C1c1ccccc1 ZINC000015974132 FD Annotated Reactive O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)/c1=N\c1ccccc1 ZINC000015974136 FD Annotated Bother C/C(Cn1nnc([N+](=O)[O-])n1)=N/NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000015987928 FD Annotated Reactive NNC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000015990005 FD Annotated Reactive COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4C[C@@]([C@H](C)O)([C@H]1O4)[C@H]23 ZINC000155425800 FD Annotated Anodyne C=C(C)C(=O)O/C1=C/C(C=O)=C\CC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]12 ZINC000156034606 FD Annotated Reactive CC(=O)O[C@H]1C/C=C(\C)[C@@H](OC(C)=O)CC2=C(CO)C(=O)O[C@@H]2/C=C/1C ZINC000156892909 FD Annotated Anodyne COc1ccc2c(nc(NC(=O)c3cccnc3)[n+]3cc[nH]c23)c1OC ZINC000016052697 FD Annotated Anodyne CCc1nn(-c2ccccc2)c2nc(N3CCN(C4CNC4)CC3)ncc12 ZINC000164946693 FD Annotated Anodyne CC(=O)OC[C@H]1C[C@H](COC(C)=O)[C@H](COC(C)=O)C[C@H]1COC(C)=O ZINC000016922957 FD Annotated Anodyne CC(=O)OC[C@H]1C[C@H](COC(C)=O)[C@@H](COC(C)=O)C[C@@H]1COC(C)=O ZINC000016922969 FD Annotated Anodyne OC[C@H](O)[C@H](O)[C@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000016953248 FD Annotated Anodyne CCOC(=O)N1[C@@H]2C=C(C)[C@@H](ON2C(=O)c2ccccc2)[C@@H]2[C@@H](C)C(=O)N21 ZINC000016957274 FD Annotated Anodyne CC(=O)NNc1nc(C)c(C(/C=C/c2ccccc2O)=N/NC(=N)N)s1 ZINC000016958130 FD Annotated Reactive COC[C@H]1CCCN1c1nc(-n2cccn2)nc(N)c1Br ZINC000165010779 FD Annotated Anodyne Cc1nn(-c2ccccc2)c2nc([C@@H]3CCCN(C4CNC4)C3)[nH]c(=O)c12 ZINC000165099044 FD Annotated Anodyne Cc1nn(-c2ccccc2)c2nc([C@H]3CCCN(C4CNC4)C3)[nH]c(=O)c12 ZINC000165099166 FD Annotated Anodyne CC1(C)[C@H]2C[C@@]3(O)CC(=O)C(=C4[C@H](O)Oc5cc(O)ccc5[C@H]41)[C@@H]2[C@H]3O ZINC000165565662 FD Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O ZINC000165895014 FD Annotated Mild COC(=O)[C@H](O)[C@@]12CCCN3CC[C@]4(c5cccc(OC)c5N[C@@H]4CC1)[C@H]32 ZINC000166116014 FD Annotated Anodyne CC(=O)C[C@@H]1O[C@H]2[C@H]3[C@@H](CC[C@@](C)(O)[C@@H]13)[C@@H](C)C(=O)O[C@@]2(C)/C=C/C=O ZINC000166167760 FD Annotated Reactive COc1ccc(-c2ccc3c(O)oc(=O)c(C(=O)NCC(=O)O)c3c2)cc1 ZINC000166205974 FD Annotated Anodyne CC(C)(O)/C=C1\C=C(C=O)[C@H]2CC[C@@]3(C)C[C@](O)(CC[C@H]3O)[C@@H]2[C@H]1O ZINC000166357297 FD Annotated Reactive C/C1=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](O)[C@H]2[C@@H](C)C(=O)C=C[C@]2(C)[C@H](O)CC1 ZINC000166441022 FD Annotated Mild COc1ccc([C@H]2C3(C=CC(=O)C=C3)C[C@@]3(O)N(C)C(N)=N[C@@]23OC)cc1 ZINC000166648338 FD Annotated Mild COCCNC(=O)CCc1c(C)c2c(OC)cc(O)c(C=O)c2oc1=O ZINC000166689401 FD Annotated Anodyne CC1(C)CCC(=O)[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3[C@@H](O)[C@H](O)[C@@]12O ZINC000166780007 FD Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H](C2=C/C(=C\C(C)(C)O)OC2=O)[C@H]1CO ZINC000166805075 FD Annotated Mild CCOC(=O)[C@@H]1CC[C@@H](OS(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000167500095 FD Annotated Mild CCOC(=O)[C@@H]1CC[C@H](OS(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000167500231 FD Annotated Mild CC(=O)O[C@H]1C2=C(C)C[C@@H](OC(C)=O)[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@H]2[C@]2(C)O[C@H]12 ZINC000167901899 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN4CC5=CCO[C@H](O)[C@@H]([C@H]5C[C@H]42)[C@@H]13 ZINC000169021806 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN4CC5=CCO[C@H](O)[C@H]([C@H]5C[C@H]42)[C@@H]13 ZINC000169021897 FD Annotated Anodyne COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000169290503 FD Annotated Anodyne COC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C(=O)C[C@@]1(C)O ZINC000169290504 FD Annotated Anodyne COC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)OC)C(=O)C[C@]1(C)O ZINC000169290506 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000169290731 FD Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000169290732 FD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000169290733 FD Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000169290734 FD Annotated Mild COc1cccc2c1O[C@@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H]3CO3)[C@@H]1C2=O ZINC000169291590 FD Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H]3CO3)[C@@H]1C2=O ZINC000169291591 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(\C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@]12O ZINC000169292447 FD Annotated Mild C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C\CC[C@](O)(CO)[C@@H](O)C[C@H]12 ZINC000169292882 FD Annotated Mild C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C\CC/C(C)=C/CC[C@](O)(CO)[C@@H](O)C[C@H]12 ZINC000169292883 FD Annotated Mild C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C\CC/C(C)=C\CC[C@](O)(CO)[C@@H](O)C[C@H]12 ZINC000169292884 FD Annotated Mild CCOC(=O)[C@@]1(CC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169293174 FD Annotated Clean CCOC(=O)[C@]1(CC)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169293175 FD Annotated Clean CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169293176 FD Annotated Clean CC(C)C[C@@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169293781 FD Annotated Clean CC(C)C[C@]1(C(=O)O)N[C@@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169293782 FD Annotated Clean CC(C)C[C@@]1(C(=O)O)N[C@H](c2ccccc2O)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000169293783 FD Annotated Clean COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169293834 FD Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169293835 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000169293836 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169294055 FD Annotated Anodyne COC(=O)[C@]1(C)N[C@@H](c2ccco2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000169294056 FD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@H](O2)[C@@H](C(=O)Nc2ccc(F)cc2)[C@@H]3C1=O ZINC000169294129 FD Annotated Anodyne CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169296052 FD Annotated Anodyne CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169296053 FD Annotated Anodyne CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169296054 FD Annotated Anodyne NC(=S)N/N=C(/C[C@H](C(=O)O)C1=CN[C@@H]2C=CC=C[C@@H]12)c1ccccc1 ZINC000169296705 FD Annotated Mild NC(=S)N/N=C(/C[C@H](C(=O)O)C1=CN[C@H]2C=CC=C[C@@H]12)c1ccccc1 ZINC000169296707 FD Annotated Mild CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297141 FD Annotated Clean CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169297143 FD Annotated Clean CO[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@@H]1C ZINC000169297900 FD Annotated Anodyne CO[C@@H]1/C=C/CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C ZINC000169299273 FD Annotated Anodyne CC(C)C[C@@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 ZINC000169299397 FD Annotated Anodyne CC(C)C[C@H]1N[C@@]2(C(=O)N(C)c3ccccc32)[C@@H]2C(=O)N(C(C)C)C(=O)[C@@H]12 ZINC000169299398 FD Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169299460 FD Annotated Anodyne CCC[C@]1(C(=O)OC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169299461 FD Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169299462 FD Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@@H]13 ZINC000169299938 FD Annotated Anodyne COC(=O)[C@H]1[C@@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@@H]13 ZINC000169299940 FD Annotated Anodyne COC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@@H]13 ZINC000169299942 FD Annotated Anodyne COC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N1[C@@H](c2ccco2)[C@H](C)C(=O)[C@H](C)[C@@H]13 ZINC000169299944 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000169300041 FD Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@H]2N(C(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@]32O4)[C@@H]1c1ccco1 ZINC000169300108 FD Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H]2N(C(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@]32O4)[C@@H]1c1ccco1 ZINC000169300109 FD Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccco2)N2C(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000169300110 FD Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H]2N(C(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@]32O4)[C@@H]1c1ccco1 ZINC000169300111 FD Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O ZINC000169300554 FD Annotated Mild COc1ccc(-c2cc3cn([C@@H]4C[C@@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000169300666 FD Annotated Anodyne COc1ccc(-c2cc3cn([C@@H]4C[C@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000169300668 FD Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C ZINC000169301638 FD Annotated Anodyne N=C(N)c1ccc(Nc2nc(N)nc(NC3=CC[C@@H](C(=N)N)C=C3)n2)cc1 ZINC000169301639 FD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169302347 FD Annotated Anodyne CCOC(=O)[C@]1(CC)N[C@@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169302349 FD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2cccc(F)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000169302350 FD Annotated Anodyne CC[C@H]1C=C[C@@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)N(C(C)=O)C1 ZINC000169302988 FD Annotated Anodyne O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCNCC2)n1-c1ccsc1 ZINC000169303640 FD Annotated Bother CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169303776 FD Annotated Anodyne CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C[C@@H]4OC(=O)[C@@H]2[C@@H]4C3)cc1 ZINC000169303777 FD Annotated Anodyne O=C1NC(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(Cc3ccccc3)[C@H]12 ZINC000169304756 FD Annotated Bother O=C1NC(=O)[C@H]2[C@@H]1C(c1ccc([N+](=O)[O-])cc1)=NN2Cc1ccccc1 ZINC000169304758 FD Annotated Bother CCCCNC(=O)[C@@H](NC(=O)c1cnc(C)cn1)C(=O)c1ccccc1 ZINC000169304987 FD Annotated Anodyne CCCCNC(=O)[C@H](NC(=O)c1cnc(C)cn1)C(=O)c1ccccc1 ZINC000169304989 FD Annotated Anodyne COCCCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@@]23C=C[C@H]1O3 ZINC000169305257 FD Annotated Anodyne C[C@@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169305665 FD Annotated Anodyne C[C@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169305667 FD Annotated Anodyne C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169305840 FD Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000169305841 FD Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1/N=C/c1ccc(Cl)cc1 ZINC000169306025 FD Annotated Reactive COc1ccc(/C=N/[C@@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306027 FD Annotated Reactive COc1ccc(/C=N/[C@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 ZINC000169306028 FD Annotated Reactive CC1=C[C@@H](NC(=O)[C@H](C)Oc2ccccc2)N(c2nc(C)c(C)c(O)n2)N1 ZINC000169306517 FD Annotated Anodyne CC1=C[C@H](NC(=O)[C@H](C)Oc2ccccc2)N(c2nc(C)c(C)c(O)n2)N1 ZINC000169306518 FD Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@@H]1NC(=O)Nc1ccccc1 ZINC000169306992 FD Annotated Reactive COc1cc(OC)c(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000169307124 FD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169309260 FD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169309263 FD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169309265 FD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169309267 FD Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(Cl)cc1 ZINC000169309408 FD Annotated Anodyne NC(=S)Nc1nn2c(=O)[nH]c(=S)[nH]c2c1Cc1ccc(F)cc1 ZINC000169309415 FD Annotated Anodyne CCc1ccc(Cc2c(NC(N)=S)nn3c(=O)[nH]c(=S)[nH]c23)cc1 ZINC000169309418 FD Annotated Anodyne COc1ccc(Cc2c(NC(N)=S)nn3c(=O)[nH]c(=S)[nH]c23)cc1 ZINC000169309420 FD Annotated Anodyne N#Cc1ccc(Cc2c(NC(N)=S)nn3c(=O)[nH]c(=S)[nH]c23)cc1 ZINC000169309422 FD Annotated Mild CN1CCN(c2ccc(Nc3ccccc3NC3=NNC(=O)C3)nn2)CC1 ZINC000169310446 FD Annotated Anodyne O=C1CC(Nc2ccccc2Nc2ccc(N3CCOCC3)nn2)=NN1 ZINC000169310448 FD Annotated Anodyne COc1cc(OC)cc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)c1 ZINC000169310476 FD Annotated Clean COc1ccc(-n2n[n+](C)c3c2C(=O)c2ccccc2C3=O)cc1OC ZINC000169310482 FD Annotated Clean CC(C)(C)[C@H]1OC[C@@H]2C(=O)/C(=C(/NCCCCN)c3ccccc3)C(=O)N21 ZINC000169310899 FD Annotated Mild NC[C@H]1CN(c2nccn3cnnc23)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312413 FD Annotated Anodyne Cc1nnc2ccc(N3C[C@H](CN)[C@@H](c4cc(F)ccc4F)CC3=O)nn12 ZINC000169312420 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cn2cc(nn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313419 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(nn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313420 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313421 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C\COc2ccc1c(Cl)c2 ZINC000169313423 FD Annotated Anodyne O=C1N[C@@H](C(=O)O)Cc2cn(cn2)C/C=C\COc2ccc(Cl)c1c2 ZINC000169313425 FD Annotated Anodyne O=C1N[C@H](C(=O)O)Cc2cn(cn2)C/C=C\COc2ccc(Cl)c1n2 ZINC000169313427 FD Annotated Anodyne COC1=C[C@@H](C(=O)NCCNC(C)=O)[C@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000169313561 FD Annotated Mild COC1=C[C@H](C(=O)NCCNC(C)=O)[C@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000169313562 FD Annotated Mild COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169313926 FD Annotated Anodyne COC(=O)[C@]1(c2ccccc2)N[C@@H](c2cccs2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000169313927 FD Annotated Anodyne NS(=O)(=O)c1cc(C(=O)O)cc2c1Sc1ccccc1C(=O)N2 ZINC000169314966 FD Annotated Anodyne COC(=O)c1cc2c(c(S(N)(=O)=O)c1)Sc1ccccc1C(=O)N2 ZINC000169314967 FD Annotated Anodyne CCCCS(=O)(=O)OCCCNCCCOS(=O)(=O)CCC ZINC000169315826 FD Annotated Mild Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CN3CCN(C)CC3)[C@@H]1O2 ZINC000169316320 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CN3CCOCC3)C(=O)C[C@@H]1O2 ZINC000169316329 FD Annotated Mild Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CN3CCOCC3)[C@H](O)C[C@@H]1O2 ZINC000169316332 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)C=C(NC(=O)CN3CCOCC3)[C@@H](O)C[C@@H]1O2 ZINC000169316334 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCOCC3)[C@@H]1O2 ZINC000169316337 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCNCC3)[C@@H]1O2 ZINC000169316357 FD Annotated Anodyne CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(OCC(=O)O)c2)C(=O)OC1=O ZINC000169316774 FD Annotated Reactive CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(OCC(=O)O)cc2)C(=O)OC1=O ZINC000169316775 FD Annotated Reactive O=S(=O)(N/N=C/c1cccc[n+]1[O-])c1ccc(Br)cc1 ZINC000169319637 FD Annotated Mild CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(C(=O)N(C)C)c2)C(=O)OC1=O ZINC000169320139 FD Annotated Reactive CC(=O)NCc1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169320154 FD Annotated Reactive CC(=O)Nc1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169320155 FD Annotated Reactive COc1ccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1NC(C)=O ZINC000169320159 FD Annotated Reactive CC(=O)Nc1cc(O)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320175 FD Annotated Reactive CC(=O)Nc1cc(N)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320177 FD Annotated Reactive CC(=O)Nc1ccc(O)c(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169320193 FD Annotated Reactive CCC(=O)Nc1cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169321667 FD Annotated Reactive O=C1CC[C@@H](N2C(=O)c3cccc(Nc4ccccn4)c3C2=O)C(=O)N1 ZINC000169322233 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(Nc4ccccn4)c3C2=O)C(=O)N1 ZINC000169322236 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc(Nc4ccc(O)cc4)c3C2=O)C(=O)N1 ZINC000169322241 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(Nc4ccc(O)cc4)c3C2=O)C(=O)N1 ZINC000169322243 FD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O ZINC000169323445 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccc(Nc4ccccn4)cc3C2=O)C(=O)N1 ZINC000169323708 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(Nc4ccccn4)cc3C2=O)C(=O)N1 ZINC000169323710 FD Annotated Anodyne CN(c1ccccc1)c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000169323712 FD Annotated Anodyne CN(c1ccccc1)c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000169323714 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccc(Nc4ccc(O)cc4)cc3C2=O)C(=O)N1 ZINC000169323726 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(Nc4ccc(O)cc4)cc3C2=O)C(=O)N1 ZINC000169323727 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@H]21 ZINC000169323762 FD Annotated Anodyne C/C=C/C[C@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12 ZINC000169323764 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12 ZINC000169323768 FD Annotated Anodyne C/C=C/C[C@H]1CN[C@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]12 ZINC000169323770 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CC[C@@H](O)[C@H](NCCCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323946 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CC[C@H](O)[C@H](NCCCN3CCN(C)CC3)[C@@H]1O2 ZINC000169323948 FD Annotated Anodyne Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCOCCN(C)C)[C@@H]1O2 ZINC000169323952 FD Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3N2CCCC2)C1=O ZINC000169324030 FD Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3N2CCCC2)C1=O ZINC000169324031 FD Annotated Mild COc1ccc(Cl)c2c1CCC(CN1CCN(S(N)(=O)=O)CC1)=C2 ZINC000169324761 FD Annotated Anodyne CCOc1ccccc1OC(=O)c1ccc2c(c1)S(=O)(=O)NCN2C ZINC000169325221 FD Annotated Anodyne N#C/N=C(/NCCCNc1nccc(N)n1)NCCSc1ccccc1 ZINC000169327532 FD Annotated Mild N#C/N=C(/NCCCCNc1nc(N)n[nH]1)NCCSc1ccccc1 ZINC000169327586 FD Annotated Mild N#C/N=C(/NCCNc1nccc(N)n1)NCCSc1ccccc1 ZINC000169327598 FD Annotated Mild CCOC(=O)/C=C1/C(=O)N(CC(=O)OC)c2ccc(Br)cc21 ZINC000169328916 FD Annotated Anodyne CCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCC ZINC000169329595 FD Annotated Anodyne CC1=C[C@@H]2O[C@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@@]31CO1 ZINC000169331475 FD Annotated Mild CC1=C[C@H]2O[C@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@@]31CO1 ZINC000169331477 FD Annotated Mild O=[N+]([O-])c1cc(C[S@@](=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000169331775 FD Annotated Bother O=[N+]([O-])c1cc(C[S@](=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 ZINC000169331776 FD Annotated Bother CC1=C[C@H]2O[C@@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000169332339 FD Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000169332340 FD Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCC/C=C\C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000169332637 FD Annotated Anodyne CC(=O)Nc1cc(O)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336170 FD Annotated Reactive C=CCNC(=S)NS(=O)(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000169336417 FD Annotated Mild CCC(=O)Nc1cccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336493 FD Annotated Reactive CCC(=O)Nc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336495 FD Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2cccc(NC(=O)C(C)C)c2)C(=O)OC1=O ZINC000169336497 FD Annotated Reactive CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(NC(=O)C(C)C)cc2)C(=O)OC1=O ZINC000169336498 FD Annotated Reactive CC(=O)Nc1cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)ccc1O ZINC000169336519 FD Annotated Reactive CC(=O)Nc1ccc(O)c(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 ZINC000169336531 FD Annotated Reactive CCOC(=O)c1ccccc1N/C(O)=C1\C(=O)OC(=O)C(C(C)=O)=C1O ZINC000169336536 FD Annotated Reactive CCC(=O)Oc1ccc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)cc1 ZINC000169336594 FD Annotated Reactive N#Cc1c2c(=O)cc(C(=O)O)[nH]c2c(Cl)c2[nH]c(C(=O)O)cc(=O)c12 ZINC000169336988 FD Annotated Mild CC[C@@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339252 FD Annotated Mild CC[C@H]1C(=O)OC[C@@H]1Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339253 FD Annotated Mild CC[C@@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339255 FD Annotated Mild CC[C@H]1C(=O)OC[C@H]1Cc1c[n+](CC(=O)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000169339256 FD Annotated Mild C=CCNC1=C(NCCCN2CCOCC2)C(=O)c2ccccc2C1=O ZINC000169341086 FD Annotated Mild COC(=O)c1cc(Br)cnc1N1CCC(NCCO)CC1 ZINC000169341678 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)[C@H]4OC[C@]2(O)[C@@]1(C)[C@]43C ZINC000169342420 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)[C@H]4OC[C@@]2(O)[C@@]1(C)[C@]43C ZINC000169342423 FD Annotated Anodyne CCCc1cc(=O)oc2c3c(cc(OCCO)c12)O[C@H]([N+](=O)[O-])[C@H]3O ZINC000169343013 FD Annotated Bother [O-][N+]1=C(c2ccccc2)c2cc(Cl)ccc2-n2c(nnc2[C@@H](O)CO)C1 ZINC000169343327 FD Annotated Anodyne [O-][N+]1=C(c2ccccc2)c2cc(Cl)ccc2-n2c(nnc2[C@H](O)CO)C1 ZINC000169343328 FD Annotated Anodyne C[C@@]12COS(=O)(=O)CC1=C(c1ccccc1Br)C(=O)O2 ZINC000169343897 FD Annotated Mild C[C@]12COS(=O)(=O)CC1=C(c1ccccc1Br)C(=O)O2 ZINC000169343898 FD Annotated Mild C[C@@]12COS(=O)(=O)CC1=C(c1ccc(Br)cc1)C(=O)O2 ZINC000169343899 FD Annotated Mild C[C@]12COS(=O)(=O)CC1=C(c1ccc(Br)cc1)C(=O)O2 ZINC000169343900 FD Annotated Mild C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCC(=O)O)CC(=O)O1 ZINC000169344058 FD Annotated Anodyne N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)S(N)(=O)=O ZINC000169344891 FD Annotated Reactive C=CCOc1cc2oc(C(=O)O)cc(=O)c2c2oc(C(=O)O)cc(=O)c12 ZINC000169344931 FD Annotated Mild O=C(N/N=C/c1ccc(OCCn2cc(CO)nn2)cc1)c1ccncc1 ZINC000169346134 FD Annotated Reactive CO[C@H]1C=C[C@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000169347263 FD Annotated Bother Cc1cc(N/N=C/c2ccc([N+](=O)[O-])o2)n2ncc(S(=O)(=O)O)c2n1 ZINC000169347800 FD Annotated Mild C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC1 ZINC000169348030 FD Annotated Anodyne C/C1=C/[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C\C[C@@](C)(O)[C@@H](O)CC1 ZINC000169348031 FD Annotated Anodyne C/C1=C\[C@]2(O)OC[C@@]3(C)O[C@@]23CC[C@](C)(O)/C=C/C[C@@](C)(O)[C@@H](O)CC1 ZINC000169348033 FD Annotated Anodyne C=CCOC(=O)N1CCc2c(c(=O)oc3c(C(=O)OC)c(O)ccc23)C1 ZINC000169348332 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/COC(=O)C(C)C)CC/C=C(\CO)[C@H](O)C[C@@H]12 ZINC000169348490 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(=O)C(C)C)CC/C=C(/CO)[C@H](O)C[C@@H]12 ZINC000169348492 FD Annotated Mild C=CCn1c(=O)/c(=C\c2cccc(C)c2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348719 FD Annotated Mild C=CCn1c(=O)/c(=C\c2ccc(C)cc2)[nH]c(=O)/c1=C\c1ccccc1OC ZINC000169348733 FD Annotated Mild COc1ccccc1/C=c1\c(=O)[nH]/c(=C/c2ccccc2Cl)c(=O)n1C ZINC000169348738 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000169349025 FD Annotated Mild Cc1cc(N(CCO)CCO)nc(SCc2nc3ccccc3[nH]2)n1 ZINC000169349040 FD Annotated Anodyne Cc1ncc(CNC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(N)n1 ZINC000169349062 FD Annotated Bother COc1ccc2c(c1)C(=O)N(O)C(=O)[C@@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349216 FD Annotated Anodyne COc1ccc2c(c1)C(=O)N(O)C(=O)[C@H]2C(=O)NCc1ccc(F)cc1 ZINC000169349217 FD Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(O)n(O)c(=O)c2ccc([N+](=O)[O-])cc12 ZINC000169349219 FD Annotated Bother N#Cc1ccc2c(C(=O)NCc3ccc(F)cc3)c(O)n(O)c(=O)c2c1 ZINC000169349236 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CO)=C\C[C@H]12 ZINC000169349852 FD Annotated Mild Cn1c(=O)c2c(Cl)cccc2c(=O)n1CCNC(=O)OC(C)(C)C ZINC000169350352 FD Annotated Anodyne Cn1c(=O)c2cccc(Cl)c2c(=O)n1CCNC(=O)OC(C)(C)C ZINC000169350362 FD Annotated Anodyne O=c1nc(NCc2cccc(CN3CCOCC3)c2)c2cccnc2n1O ZINC000169350749 FD Annotated Anodyne COc1cccc2c1c(I)c1n2C[C@@H](O)CNC1=O ZINC000169350753 FD Annotated Anodyne COc1cccc2c1c(I)c1n2C[C@H](O)CNC1=O ZINC000169350754 FD Annotated Anodyne CC(=O)O[C@@H]1C[C@]23O[C@H]2C2=C(C(=O)CC(C)(C)O2)[C@@H](O)[C@@H]3OC1(C)C ZINC000169351067 FD Annotated Mild Cn1ncc(C(=O)N2CC(Nc3cc(=O)[nH]c4ccccc34)C2)c1Cl ZINC000169351299 FD Annotated Anodyne CO[C@@H]1/C=C/CC(=O)N2CCC[C@@H]2C(=O)OC[C@@H](C)C(=O)OC[C@H]1C ZINC000169351528 FD Annotated Anodyne COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@H]1NCCc1c2n(c2ccccc12)C3 ZINC000169352318 FD Annotated Anodyne COc1ccc2c(c1)c(I)c1n2C[C@@H](O)CNC1=O ZINC000169352551 FD Annotated Anodyne COc1ccc2c(c1)c(I)c1n2C[C@H](O)CNC1=O ZINC000169352552 FD Annotated Anodyne COc1ccc2c(I)c3n(c2c1)C[C@@H](O)CNC3=O ZINC000169352553 FD Annotated Anodyne COc1ccc2c(I)c3n(c2c1)C[C@H](O)CNC3=O ZINC000169352554 FD Annotated Anodyne O=C1NC[C@@H](O)Cn2c1c(I)c1ccc(O)cc12 ZINC000169352561 FD Annotated Anodyne O=C1NC[C@H](O)Cn2c1c(I)c1ccc(O)cc12 ZINC000169352562 FD Annotated Anodyne CC(C)(CO)[C@@H](O)C(=O)NCCCNC(=N)Nc1ccc(Cl)cc1 ZINC000169352907 FD Annotated Anodyne CN1CCCN(C(=O)c2cc3c(n2C)-c2ccccc2C(=O)NC3)CC1 ZINC000169352953 FD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Br)cc1F ZINC000169353559 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@@H]1c1ccc(Br)cc1F ZINC000169353560 FD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(N)=N[C@H]1c1ccc(Br)cc1F ZINC000169353561 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(N)=N[C@H]1c1ccc(Br)cc1F ZINC000169353562 FD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Cl)cc1Cl ZINC000169353632 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc(Cl)cc1Cl ZINC000169353633 FD Annotated Anodyne CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Cl)cc1Cl ZINC000169353634 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc(Cl)cc1Cl ZINC000169353635 FD Annotated Anodyne COc1cnc2c(C(=O)NCCF)cn(Cc3ncnc(OC)c3C)c2c1 ZINC000169353749 FD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)(C)O)=C\C[C@H]12 ZINC000169354304 FD Annotated Mild O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000169355167 FD Annotated Bother O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000169355168 FD Annotated Bother C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC[C@@H]6O)O[C@]4(CO5)[C@]21O ZINC000169355179 FD Annotated Anodyne C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@@H](OC[C@@H]6O)O[C@]4(CO5)[C@]21O ZINC000169355180 FD Annotated Anodyne Cc1ccc(NC[C@@]2(/N=C\c3ccccc3)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000169355181 FD Annotated Mild C[C@@H]1CO[C@H]2C[C@@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC[C@@H]6O)O[C@]4(CO5)[C@]21O ZINC000169355182 FD Annotated Anodyne Cc1ccc(NC[C@]2(/N=C\c3ccccc3)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000169355183 FD Annotated Mild C[C@@H]1CO[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC[C@@H]6O)O[C@]4(CO5)[C@]21O ZINC000169355184 FD Annotated Anodyne COC(=O)[C@@H]1O[C@@H](c2cc(OC)c(C)c(OC)c2O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169355299 FD Annotated Anodyne COC(=O)[C@H]1O[C@@H](c2cc(OC)c(C)c(OC)c2O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169355300 FD Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169355301 FD Annotated Anodyne COC(=O)[C@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169355302 FD Annotated Anodyne O=S1(=O)[C@@H]2C[C@@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@@H]1O[C@H]31 ZINC000169356151 FD Annotated Anodyne O=S1(=O)[C@H]2C[C@@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@@H]1O[C@H]31 ZINC000169356152 FD Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000169356914 FD Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000169356916 FD Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@H](COC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H](O2)[C@H]1C(=O)O ZINC000169359222 FD Annotated Anodyne O=C(O)[C@H]1[C@H](C(=O)O)[C@@H]2O[C@@H]1C[C@@H]2COC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000169359223 FD Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@H](COC(=O)[C@H]3C[C@H]3c3ccccc3)[C@@H](O2)[C@H]1C(=O)O ZINC000169359225 FD Annotated Anodyne O=C(O)[C@H]1[C@H](C(=O)O)[C@@H]2O[C@@H]1C[C@@H]2COC(=O)[C@H]1C[C@H]1c1ccccc1 ZINC000169359227 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(O)N=C(C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000169360523 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@]3(O)N=C(C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000169360524 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@]3(O)N=C(C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000169360525 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@]3(O)N=C(C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000169360526 FD Annotated Anodyne C[C@@H]1CN([C@@H](Cc2ccccc2)C(=O)NC[C@@H]2N=Cc3cncnc32)C1=O ZINC000169360755 FD Annotated Anodyne C[C@H]1CN([C@@H](Cc2ccccc2)C(=O)NC[C@@H]2N=Cc3cncnc32)C1=O ZINC000169360757 FD Annotated Anodyne C[C@@H]1CN([C@H](Cc2ccccc2)C(=O)NC[C@@H]2N=Cc3cncnc32)C1=O ZINC000169360758 FD Annotated Anodyne C[C@H]1CN([C@H](Cc2ccccc2)C(=O)NC[C@@H]2N=Cc3cncnc32)C1=O ZINC000169360760 FD Annotated Anodyne CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169361216 FD Annotated Anodyne CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000169361217 FD Annotated Anodyne COC1=C[C@@H](C(=O)NCCNC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169361936 FD Annotated Mild COC1=C[C@@H](C(=O)NCCNC(C)=O)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000169361937 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000169361948 FD Annotated Mild C[C@@H]1CO[C@@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362543 FD Annotated Mild C[C@@H]1CO[C@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000169362544 FD Annotated Mild CC(=O)O[C@@H]1C#C/C=C/C#CC[C@H]2C(=O)N(C(=O)NCc3ccccc3)[C@H]12 ZINC000169364335 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\COC(C)=O)CC[C@H](OCC)C3=C[C@@H](OC3=O)[C@@H]12 ZINC000169365127 FD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169365496 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000169365497 FD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCO)CC(=O)O1 ZINC000169367327 FD Annotated Anodyne O=C1[C@@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CO2 ZINC000169370872 FD Annotated Anodyne C[C@H]1CCC/C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN)CC(=O)O1 ZINC000169371498 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169372746 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000169372747 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000169434201 FD Annotated Mild C[C@@H]1C[C@@H](O)[C@@]23CO[C@@H](C=C2CO)C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000169448319 FD Annotated Anodyne CCOC(=O)N1[C@@H]2C=C(C)[C@@H]([C@@H]3[C@@H](C)C(=O)N31)N(C(=O)c1ccccc1)O2 ZINC000169486535 FD Annotated Anodyne CCOC(=O)N1[C@@H]2C=C(C)[C@H](ON2C(=O)c2ccccc2)[C@@H]2[C@@H](C)C(=O)N21 ZINC000169486551 FD Annotated Anodyne C[C@@]1(C(=O)CO)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000169639638 FD Annotated Anodyne C[C@]12CC[C@]3(O)C[C@@]1(CC[C@H]1[C@@]24CCC[C@@]1(C)C(=O)O4)C(=O)[C@@]3(O)CO ZINC000169640705 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@@H]1C=C[C@H]1O[C@]132 ZINC000169640801 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)OC ZINC000169640821 FD Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000169641953 FD Annotated Anodyne C=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC[C@@]4(CCCC(C)(C)[C@@]43O)[C@@]2(O)CC1 ZINC000169642851 FD Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1[C@]3(C)CCC[C@]21[C@H](O)OC3 ZINC000169643101 FD Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]5O[C@]3(O)[C@@H]2C[C@@H]1[C@]54C(=O)OC ZINC000169647237 FD Annotated Anodyne C[C@@H](O)CC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(O)c(c42)O[C@H]3C1 ZINC000169650582 FD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 ZINC000169652982 FD Annotated Mild CC[C@@]1(CO)N[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000169653575 FD Annotated Anodyne C[C@@]1(O)C[C@H](O)[C@]23COC(=O)[C@@]21CCC/C3=C1/C[C@@H](c2ccoc2)OC1=O ZINC000169655580 FD Annotated Anodyne CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(O)ccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000169656218 FD Annotated Anodyne CC(=O)OCC1=CO[C@H](OC(C)=O)[C@H]2C(C=O)=CC(=O)[C@H]3[C@@H]([C@@H]12)C3(C)C ZINC000169660396 FD Annotated Reactive O=C1C[C@H]2O[C@@]3(O)CC[C@@H](O)[C@@H]1[C@H]3C21Oc2cccc3cccc(c23)O1 ZINC000169663929 FD Annotated Anodyne COC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]3O ZINC000169667441 FD Annotated Anodyne COC(=O)[C@@]12O[C@@H](C[C@H]1O)c1c(oc3cc(C)cc(O)c3c1=O)S2 ZINC000169668943 FD Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@H](OC(C)=O)[C@@H](C)C[C@@]34[C@@H]1CCCN3CCC[C@]24O ZINC000169669792 FD Annotated Anodyne CN(C)CCCN1CC(=O)n2c(c3cccn3n(C)c3ccccc32)=C1O ZINC000169684865 FD Annotated Bother NS(=O)(=O)c1ccc(/N=N/c2c(=O)[nH]c3ccc4[nH][nH]nc4c23)cc1 ZINC000169685141 FD Annotated Clean N=C(N)NS(=O)(=O)c1ccc(/N=C/[C@H]2C(=O)Nc3ccccc32)cc1 ZINC000169685178 FD Annotated Mild N=C(N)NS(=O)(=O)c1ccc(/N=C/[C@@H]2C(=O)Nc3ccccc32)cc1 ZINC000169685179 FD Annotated Mild Cc1onc([C@@H]2CCCCN2)c1COc1ccc(C(=O)NCCO)cn1 ZINC000169685416 FD Annotated Anodyne Cc1onc([C@H]2CCCCN2)c1COc1ccc(C(=O)NCCO)cn1 ZINC000169685417 FD Annotated Anodyne C=CCn1c(/N=N/Cc2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2C ZINC000169686071 FD Annotated Mild Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@]21O3 ZINC000169686646 FD Annotated Anodyne Cc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H]1N2C(=O)[C@H]2[C@H](C(=O)O)[C@@H]3C=C[C@]21O3 ZINC000169686647 FD Annotated Anodyne COCc1n[nH]c2c1[C@@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169686907 FD Annotated Mild COCc1n[nH]c2c1[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](C#N)C(=N)O2 ZINC000169686908 FD Annotated Mild O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687162 FD Annotated Anodyne O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687163 FD Annotated Anodyne O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccnc2)[C@@H]1C(=O)c1ccco1 ZINC000169687164 FD Annotated Anodyne O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccnc2)[C@H]1C(=O)c1ccco1 ZINC000169687165 FD Annotated Anodyne COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000169687297 FD Annotated Anodyne COc1ccccc1[C@H]1[C@@H](C(=O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000169687298 FD Annotated Anodyne COc1ccccc1[C@@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000169687299 FD Annotated Anodyne COc1ccccc1[C@H]1[C@H](C(=O)c2ccccc2)C(=O)C(=O)N1CCO ZINC000169687300 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000169687390 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000169687391 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000169687392 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000169687393 FD Annotated Anodyne O=C1CC[n+]2c([nH]c3ccccc32)[C-]1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000169687572 FD Annotated Bother CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000169687909 FD Annotated Anodyne CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000169687910 FD Annotated Anodyne NS(=O)(=O)c1ccc(/N=N/Cc2ccc(O)c(O)c2O)c([N+](=O)[O-])c1 ZINC000169688198 FD Annotated Clean COc1ccc2c(n1)CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 ZINC000169688262 FD Annotated Anodyne N#CC1=c2s/c(=C\c3ccco3)c(=O)n2C(=N)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000169688417 FD Annotated Mild N#CC1=c2s/c(=C\c3ccco3)c(=O)n2C(=N)[C@H](C#N)[C@@H]1c1ccco1 ZINC000169688418 FD Annotated Mild CC/C(=N\CCCN(C)C)c1c(O)n(-c2ccc(OC)cc2)c(=O)[nH]c1=O ZINC000169688770 FD Annotated Mild O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1ccc2c(c1)OCO2 ZINC000169688952 FD Annotated Reactive Cc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2=O)cc1 ZINC000169688977 FD Annotated Reactive Cc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c1=O ZINC000169689148 FD Annotated Reactive Cc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)[C@H]2COc3ccccc3O2)c1=O ZINC000169689149 FD Annotated Reactive COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)[C@@H](C)Nc2cccc(C)c2)c1=O ZINC000169689454 FD Annotated Reactive COc1cc([N+](=O)[O-])c[c-](/C=N/NC(=O)[C@H](C)Nc2cccc(C)c2)c1=O ZINC000169689455 FD Annotated Reactive O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000169689705 FD Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000169689706 FD Annotated Anodyne O=C(Nn1c(O)csc1=S)C(=O)Nn1c(O)csc1=S ZINC000169689787 FD Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@@H]2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000169689956 FD Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@@H]2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000169689957 FD Annotated Anodyne COc1cc([C@@H]2NC(=O)N=C(C)[C@H]2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000169689958 FD Annotated Anodyne COc1cc([C@H]2NC(=O)N=C(C)[C@H]2C(=O)OC[C@@H]2CCCO2)ccc1O ZINC000169689959 FD Annotated Anodyne CCN(CC)CCC/N=C(\C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O ZINC000169690269 FD Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccc(O)cc1O ZINC000169691111 FD Annotated Reactive CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2O)cc1 ZINC000169691445 FD Annotated Anodyne CCOC(=O)NC(=O)C(/C=N/c1ccc(C)cc1)C(=O)NC(=O)OCC ZINC000169691452 FD Annotated Mild CCOC(=O)[C@@H]1C(COC(=O)/C=C/c2cccc(OC)c2)=NC(=O)N[C@@H]1C ZINC000169691898 FD Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)/C=C/c2cccc(OC)c2)=NC(=O)N[C@@H]1C ZINC000169691899 FD Annotated Anodyne CCOC(=O)[C@@H]1C(COC(=O)/C=C/c2cccc(OC)c2)=NC(=O)N[C@H]1C ZINC000169691900 FD Annotated Anodyne CCOC(=O)[C@H]1C(COC(=O)/C=C/c2cccc(OC)c2)=NC(=O)N[C@H]1C ZINC000169691901 FD Annotated Anodyne C=CCn1c(=O)[c-](/C=N/c2cccc([N+](=O)[O-])c2)c(=O)n(CCCC)c1=O ZINC000169693145 FD Annotated Mild CCN(CC)CC/N=C(\C)c1c(O)n(-c2ccccc2OC)c(=O)[nH]c1=O ZINC000169693215 FD Annotated Mild Cc1[nH]nc(-c2nc3cc4c[nH][nH]c4cc3n2)c1C(=O)NC1CCNCC1 ZINC000169693487 FD Annotated Anodyne C=C(C)Cn1c(O)c(CN(C)C)s/c1=N\N=c1/scc(O)n1C ZINC000169693528 FD Annotated Mild C=C(C)Cn1c(O)c(CN(C)C)s/c1=N/N=c1\scc(O)n1C ZINC000169693529 FD Annotated Mild C=c1cc2[nH]c(=O)/c(=C\c3ccc(-c4cccc(Cl)c4)o3)c(=N)n2o1 ZINC000169693813 FD Annotated Anodyne O=C(NCc1cccc(Cl)c1)C1=C2NS(=O)(=O)C=CN2C=CC1 ZINC000169693951 FD Annotated Anodyne O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)c1cccc(N2CCCC2=O)c1 ZINC000169693972 FD Annotated Reactive O=CN[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 ZINC000169697039 FD Annotated Anodyne CCc1ncnc(N(C)C)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 ZINC000169697499 FD Annotated Mild Cc1ncnc(N2CCC3(CCNC3=O)CC2)c1C#Cc1ccc(N)nc1 ZINC000169699824 FD Annotated Mild NS(=O)(=O)c1ccc(/N=N/Cc2ccc(O)cc2O)c([N+](=O)[O-])c1 ZINC000169700579 FD Annotated Clean C/C(=N\Cc1cccnc1)c1c(O)n(-c2ccc(C)cc2)c(=O)[nH]c1=O ZINC000169700581 FD Annotated Mild CS(=O)(=O)c1cnc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 ZINC000169701209 FD Annotated Anodyne CC1(C)CC=C[C@@H]([C@@H](COC(=O)c2ncc(C#N)[nH]2)S(C)(=O)=O)C1 ZINC000169701499 FD Annotated Mild CC1(C)CC=C[C@H]([C@@H](COC(=O)c2ncc(C#N)[nH]2)S(C)(=O)=O)C1 ZINC000169701500 FD Annotated Mild CC1(C)CC=C[C@@H]([C@H](COC(=O)c2ncc(C#N)[nH]2)S(C)(=O)=O)C1 ZINC000169701501 FD Annotated Mild CC1(C)CC=C[C@H]([C@H](COC(=O)c2ncc(C#N)[nH]2)S(C)(=O)=O)C1 ZINC000169701502 FD Annotated Mild Nc1ncnn2c(-c3ccnc(F)c3)cc(C(=O)N[C@@H]3CC[C@@H](O)CC3)c12 ZINC000169704039 FD Annotated Anodyne NC[C@@H]1CCCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704061 FD Annotated Anodyne NC[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 ZINC000169704063 FD Annotated Anodyne Nc1ncnn2c(-c3ccncc3)cc(C(=O)N[C@@H]3CC[C@H](O)CC3)c12 ZINC000169704070 FD Annotated Anodyne Nc1ncnn2c(-c3ccncc3)cc(C(=O)NCCc3ccccn3)c12 ZINC000169704072 FD Annotated Anodyne NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cc(F)cnc3CO)nc12 ZINC000169704179 FD Annotated Anodyne COCCn1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)cc1=O ZINC000169706202 FD Annotated Mild COCCn1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)cc1=O ZINC000169706203 FD Annotated Mild COCCOc1ccc(C#Cc2ccc(C[C@@H](C)NC(C)=O)cc2)nn1 ZINC000169706214 FD Annotated Mild COCCOc1ccc(C#Cc2ccc(C[C@H](C)NC(C)=O)cc2)nn1 ZINC000169706215 FD Annotated Mild NC(=O)c1ccc(C[C@@H](O)OCc2conc2-c2ccc(F)cn2)nc1 ZINC000169707499 FD Annotated Anodyne NC(=O)c1ccc(C[C@H](O)OCc2conc2-c2ccc(F)cn2)nc1 ZINC000169707501 FD Annotated Anodyne CC(=O)Nc1ccc(/C=C/C(=O)N2CC(OCc3ccncc3)C2)cn1 ZINC000169707527 FD Annotated Anodyne O=C(O)CNC(=O)c1ncc2c(c1O)CCC(=O)N2Cc1ccccc1 ZINC000169710889 FD Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(=O)n(Cc3ccccc3)ccc2c1O ZINC000169710915 FD Annotated Anodyne N#Cc1nc(C(=O)NC2CC2)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710927 FD Annotated Mild Cc1nc(C(=O)NCC(=O)O)c(O)c2ccn(Cc3ccccc3)c(=O)c12 ZINC000169710932 FD Annotated Anodyne O=C(O)CCNC(=O)c1ncc2ccn(Cc3ccccc3)c(=O)c2c1O ZINC000169710942 FD Annotated Anodyne CNC(=O)c1ncc2c(=O)n(Cc3ccc(OC)cc3OC)ccc2c1O ZINC000169710951 FD Annotated Anodyne CNC(=O)c1ncc2c(c1O)CCN(Cc1ccc(OC)cc1OC)C2=O ZINC000169710954 FD Annotated Anodyne O=C(O)CCNC(=O)c1ncc2ccc(=O)n(Cc3ccccc3)c2c1O ZINC000169710958 FD Annotated Anodyne O=C(O)CCNC(=O)c1ncc2c(ccc(=O)n2Cc2ccccc2)c1O ZINC000169711006 FD Annotated Anodyne Cn1c(=O)c(-c2ccccc2)cc2c(O)c(C(=O)NCCC(=O)O)ncc21 ZINC000169711022 FD Annotated Anodyne CCc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711648 FD Annotated Anodyne COc1ccc2c(n1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711649 FD Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3Cc4c(cnn4C)[C@H](C)C3)ncnn12 ZINC000169711650 FD Annotated Anodyne COc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711658 FD Annotated Anodyne COc1nccc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711659 FD Annotated Anodyne COc1cnc2c(c1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711660 FD Annotated Anodyne Cc1nc(C)c2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711669 FD Annotated Anodyne CCc1c2c(nn1C)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711689 FD Annotated Anodyne COc1cc2c(cn1)CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711702 FD Annotated Anodyne Cc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCOC4)c13)CC2 ZINC000169711714 FD Annotated Anodyne Cc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711724 FD Annotated Anodyne Cc1c2c(nn1C)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711732 FD Annotated Anodyne Cc1nn(C)c2c1CN(c1ncnn3c(C)nc(C4CCOCC4)c13)CC2 ZINC000169711734 FD Annotated Anodyne Cc1ncc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711765 FD Annotated Anodyne CNc1ccc2c(n1)CCN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)C2 ZINC000169711780 FD Annotated Anodyne CCn1ncc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2 ZINC000169711794 FD Annotated Anodyne Cc1nc([C@@H]2CCOC2)c2c(N3Cc4c(cnn4C)[C@@H](C)C3)ncnn12 ZINC000169711796 FD Annotated Anodyne N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCCCC2)o1 ZINC000169714629 FD Annotated Mild N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CCSCC2)o1 ZINC000169714636 FD Annotated Mild C[C@@H]1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 ZINC000169714639 FD Annotated Mild C[C@H]1CCCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)C1 ZINC000169714640 FD Annotated Mild CC1CCN(Cc2ccc(CNCCN3CCN=C3C(C#N)C#N)o2)CC1 ZINC000169714642 FD Annotated Mild O=c1n(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCC2 ZINC000169714889 FD Annotated Bother O=c1n(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCCC2 ZINC000169714913 FD Annotated Bother CCCc1c(O)c2[nH]c(CN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000169718148 FD Annotated Anodyne c1cn(C[C@H]2C[C@H]2Cn2ccc(=[N+]3CCCC3)cc2)ccc1=[N+]1CCCC1 ZINC000169718372 FD Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2ccc(Cl)cc12 ZINC000169719822 FD Annotated Anodyne C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(Cl)c12 ZINC000169719829 FD Annotated Anodyne Cc1c(-n2c(O)c3n(c2=O)CC[C@H]3O)ccc(C#N)c1Br ZINC000169719910 FD Annotated Mild C=CC[C@@]12CC(=O)C(=O)[C@](OC)([C@H](c3ccc4c(c3)OCO4)[C@H]1C)[C@@H]2O ZINC000169720450 FD Annotated Mild N[C@@H](CCC/N=C/[C@@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O ZINC000169721072 FD Annotated Mild N[C@@H](CCC/N=C/[C@H]1C(=O)Nc2ccc(Br)cc21)C(=O)O ZINC000169721073 FD Annotated Mild O=C1C=C2S[C@H]3C[C@]24c2c(c(O)c5[nH]cc6c5c2[N+](=C1[C@@H]4O)CC6)N3 ZINC000169723193 FD Annotated Mild COC(=O)[C@@H]1C2=Nc3c(O)cccc3[C@]23CCN2C[C@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000169723793 FD Annotated Anodyne COC(=O)[C@H]1C2=Nc3c(O)cccc3[C@]23CCN2C[C@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000169723794 FD Annotated Anodyne COC(=O)[C@@H]1C2=Nc3c(O)cccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000169723797 FD Annotated Anodyne COC(=O)[C@H]1C2=Nc3c(O)cccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000169723798 FD Annotated Anodyne COC(=O)[C@@H]1C2=Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723801 FD Annotated Bother COC(=O)[C@H]1C2=Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000169723802 FD Annotated Bother O=C1Nc2ccccc2/C1=N/N=c1\scc(O)n1Cc1ccncc1 ZINC000169724688 FD Annotated Mild C=CCn1c2nc(-c3cc(OC)nn3C)nc-2c2n(c1=O)C[C@@H](CC)N2 ZINC000169724896 FD Annotated Mild C=CCn1c2nc(-c3cc(OC)nn3C)nc-2c2n(c1=O)C[C@H](CC)N2 ZINC000169724897 FD Annotated Mild N#CC(C#N)C1=NCCN1CCNCc1ccc(CN2CC=CCC2)o1 ZINC000169727026 FD Annotated Mild COC(=O)c1cc(-c2ccc(/C=N/n3cc(O)[nH]c3=O)s2)ccc1O ZINC000169727425 FD Annotated Mild CC1(C)Cc2c(nn(-c3ccccc3N3CCOCC3)c(=N)c2C#N)CO1 ZINC000169730357 FD Annotated Mild COC1=C[C@@H]2C3=C([C@@H](NC=O)CCc4cc(O)c(OC)c(OC)c43)[C@@H]2C1=O ZINC000017020434 FD Annotated Mild CO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017020954 FD Annotated Anodyne CO[C@@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017020960 FD Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000017020963 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000017109500 FD Annotated Anodyne C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000017124863 FD Annotated Anodyne C[C@H]1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000017124866 FD Annotated Anodyne C[C@@H]1[C@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000017124870 FD Annotated Anodyne C[C@H]1[C@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000017124874 FD Annotated Anodyne CCOC(=O)N1[C@H]2C=C(C)[C@H](ON2C(=O)c2ccccc2)[C@@H]2[C@@H](C)C(=O)N21 ZINC000017167248 FD Annotated Anodyne CC/C(CC(=O)CCC(=O)Nc1ccc(C)c(C)c1)=N\NC(=O)C(N)=O ZINC000017188820 FD Annotated Reactive COc1ccc(/C=c2/sc3n(c2=O)NC2(CCC(C)CC2)NN=3)cc1 ZINC000017189839 FD Annotated Anodyne OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000017192814 FD Annotated Anodyne OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000017192817 FD Annotated Anodyne OC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1SC(c2ccccc2)=NN1c1ccccc1 ZINC000017192820 FD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000017194347 FD Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000017194351 FD Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/NS(=O)(=O)c1ccc(F)cc1 ZINC000017197758 FD Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/CN2C(=O)c3ccccc3C2=O)cc1 ZINC000017197761 FD Annotated Mild CN(C)/C=N/c1nc(O)c2c(ncn2CCOC(=O)c2ccccc2)n1 ZINC000017198088 FD Annotated Mild C/C(CN1C(=O)c2ccccc2C1=O)=N\NS(=O)(=O)c1ccccc1 ZINC000017212434 FD Annotated Mild C/C(CN1C(=O)c2ccccc2C1=O)=N\NS(=O)(=O)c1ccc(C)cc1 ZINC000017212448 FD Annotated Mild CC(=O)OCCOCNC(=S)N/N=C(\C)c1cnc2ccccc2n1 ZINC000017213793 FD Annotated Mild Cc1cccc(NC(=O)/C(=N\NC(C)(C)C)[C@@H]2NC(=S)NC2=O)c1C ZINC000017214461 FD Annotated Mild Cc1cccc(NC(=O)/C(=N\NC(C)(C)C)[C@H]2NC(=S)NC2=O)c1C ZINC000017214464 FD Annotated Mild CCOC(=O)[C@@H]1C(=O)CN2CCc3c([nH]c4ccccc34)[C@@]12C(=O)OCC ZINC000017214998 FD Annotated Anodyne CCOC(=O)[C@H]1C(=O)CN2CCc3c([nH]c4ccccc34)[C@@]12C(=O)OCC ZINC000017215001 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N1[C@@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000017250796 FD Annotated Anodyne CCC[S@@](=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000017254387 FD Annotated Anodyne CCC[S@](=O)O[C@@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000017254391 FD Annotated Anodyne CCC[S@@](=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000017254397 FD Annotated Anodyne CCC[S@](=O)O[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000017254401 FD Annotated Anodyne C=C[C@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000017259979 FD Annotated Mild CCOc1ccc2nc3nc(=O)[nH]c(C)c3c(NC(C)(CO)CO)c2c1 ZINC000017261019 FD Annotated Bother C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000017420917 FD Annotated Bother in-vitro COC1=C/C(=c2/[nH]c3n(/c2=N\c2ccc(C(C)C)cc2)C=CNC=3)C=CC1=O ZINC000017779969 FD Annotated Mild Cc1c(O)nc2nnc(SCC(=O)N3C[C@H](C)O[C@H](C)C3)n2c1C ZINC000017820345 FD Annotated Anodyne Cc1ccc(NC[C@]2(/N=C/c3ccccc3)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000017838106 FD Annotated Mild O=C1NC(=O)/C(=C2\CN(CC3CC3)S(=O)(=O)c3ccccc32)S1 ZINC000017917191 FD Annotated Anodyne Cc1ccc(NC[C@@]2(/N=C/c3ccccc3)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC000018036910 FD Annotated Mild CCOC(=O)c1cc([C@@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)o1 ZINC000018085272 FD Annotated Mild CCOC(=O)c1cc([C@](O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)o1 ZINC000018120044 FD Annotated Mild C/C(NN)=C1\C(=O)N=c2ccc(Br)cc2=C1c1ccccc1 ZINC000018208912 FD Annotated Anodyne CC1(C)CC(=O)C(/C=N/CCN2CCN(C(=O)CCl)CC2)=C(O)C1 ZINC000018272676 FD Annotated Reactive O=C(c1cc(-n2cnnn2)[nH]n1)N1CCc2[nH]nc(-c3cccs3)c2C1 ZINC000019144921 FD Annotated Anodyne CN(CCO)[C@@H]1c2ccccc2C2(CCN(C(=O)c3ccon3)CC2)[C@H]1O ZINC000019145237 FD Annotated Anodyne Cc1noc(C)c1CCCNC(=O)Cn1ncc(N2CCCCC2)cc1=O ZINC000019145918 FD Annotated Anodyne O=C(CN1CCCC1=O)N1CCC(n2cc(-c3ccc(F)cc3)nn2)CC1 ZINC000019148305 FD Annotated Anodyne CCN1CC(NC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)CN1CC ZINC000019172640 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019210560 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000019210563 FD Annotated Anodyne Cc1cc(CNC(=O)Cn2ncc(N(C)C)cc2=O)c(C(F)(F)F)o1 ZINC000019217690 FD Annotated Anodyne COc1ccc(CN2CCC[C@@H](N3CCOCC3)C2)cc1Cn1cncn1 ZINC000019222934 FD Annotated Anodyne COc1ccc(CN2CCC[C@H](N3CCOCC3)C2)cc1Cn1cncn1 ZINC000019222938 FD Annotated Anodyne N#Cc1nccnc1N1CCN(C[C@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000019223783 FD Annotated Mild N#Cc1nccnc1N1CCN(C[C@@]2(c3ccc(F)cc3)CCOC2)CC1 ZINC000019223786 FD Annotated Mild Cc1cc(C)n2ncc(CN3CCC(Cn4cc(CO)nn4)CC3)c2n1 ZINC000019225915 FD Annotated Anodyne O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@@H]1CCc2ccccc2C1 ZINC000019227606 FD Annotated Anodyne O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@H]1CCc2ccccc2C1 ZINC000019227608 FD Annotated Anodyne Cc1ccc2[nH]nc(C(=O)N3CCC(Cn4cc(CCO)nn4)CC3)c2c1 ZINC000019228358 FD Annotated Anodyne Cc1nc2c(s1)CCC[C@@H]2NC(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000019229164 FD Annotated Anodyne Cc1nc2c(s1)CCC[C@H]2NC(=O)Cn1ncc(N2CCCC2)cc1=O ZINC000019229165 FD Annotated Anodyne O=C(CN1CCCCC1)N1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292011 FD Annotated Anodyne O=C(CN1CCCCC1)N1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000019292012 FD Annotated Anodyne Cc1nn(-c2cccc(Cl)c2)c(O)c1/C=N/C12CN3CN(CN(C3)C1)C2 ZINC000019318954 FD Annotated Mild NC(N)NCCCc1cn2c(n1)[C@H]1CCCN1C(=O)[C@H]2Cc1ccccc1 ZINC000019328135 FD Annotated Anodyne NC(N)NCCCc1cn2c(n1)[C@@H]1CCCN1C(=O)[C@H]2Cc1ccccc1 ZINC000019328137 FD Annotated Anodyne NC(N)NCCCc1cn2c(n1)[C@H]1CCCN1C(=O)[C@@H]2Cc1ccccc1 ZINC000019328140 FD Annotated Anodyne NC(N)NCCCc1cn2c(n1)[C@@H]1CCCN1C(=O)[C@@H]2Cc1ccccc1 ZINC000019328142 FD Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(O)c1/C=N/C12CN3CN(CN(C3)C1)C2 ZINC000019330091 FD Annotated Mild O=C1CC[C@@H](C(=O)N2CCCCCCC2)CN1CCCN1CCOCC1 ZINC000019340781 FD Annotated Anodyne O=C1CC[C@H](C(=O)N2CCCCCCC2)CN1CCCN1CCOCC1 ZINC000019340786 FD Annotated Anodyne CC(C)c1[nH]c2ncccc2c1CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000019451528 FD Annotated Anodyne COC(=O)[C@@]1(C)N[C@H](c2ccco2)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]21 ZINC000019460671 FD Annotated Anodyne CC1=C[C@H]2O[C@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@@](C)([C@@]34CO4)[C@@]2(CO)CC1 ZINC000194976443 FD Annotated Anodyne CCOC(=O)[C@@]1(CC)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000019500732 FD Annotated Clean CCOC(=O)[C@@]1(CC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019500776 FD Annotated Anodyne CCS(=O)(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019520251 FD Annotated Anodyne CCS(=O)(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019520252 FD Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019526459 FD Annotated Anodyne CCN(CC)S(=O)(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019526460 FD Annotated Anodyne CCOC(=O)[C@@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526774 FD Annotated Clean CCOC(=O)[C@]1(C)N[C@@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526775 FD Annotated Clean CCOC(=O)[C@@]1(C)N[C@H](c2ccc(N(C)C)cc2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000019526776 FD Annotated Clean CC(C)Cn1c(CN2CCOCC2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000019595236 FD Annotated Anodyne CC(C)Cn1c(CN2CCOCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000019595237 FD Annotated Anodyne COc1cc(Cl)cc(CN2C[C@H](O)[C@@H](N3CCOCC3)C2)c1OC ZINC000019595642 FD Annotated Anodyne CN(CC1(CO)CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000019742838 FD Annotated Anodyne O=c1cc(CCn2cccn2)nc(-c2cccc(CN3CCOCC3)c2)[nH]1 ZINC000019745404 FD Annotated Anodyne CN(C)c1cnn(CC(=O)N[C@@H](c2ccccc2)c2ccco2)c(=O)c1 ZINC000019795014 FD Annotated Anodyne CN(C)c1cnn(CC(=O)N[C@H](c2ccccc2)c2ccco2)c(=O)c1 ZINC000019795015 FD Annotated Anodyne O=C(c1ccccc1-n1cccn1)N1CCC(n2cc(CO)nn2)CC1 ZINC000019865748 FD Annotated Anodyne COC(=O)C1=Cc2cc(OC)cc([N+](=O)[O-])c2O[C@@H]1N1CCOCC1 ZINC000019904342 FD Annotated Bother COC(=O)C1=Cc2cc(OC)cc([N+](=O)[O-])c2O[C@H]1N1CCOCC1 ZINC000019904344 FD Annotated Bother CN1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1 ZINC000019938584 FD Annotated Reactive Cc1ccc(S(=O)(=O)N2N=Cc3cc(N4CCCC4)ccc3B2O)cc1 ZINC000195047851 FD Annotated Anodyne O=S(=O)(c1ccccc1)N1N=Cc2sc(Br)cc2B1O ZINC000195050076 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@@]2(C)[C@@]12CO2 ZINC000195058090 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@@]2(C)[C@]12CO2 ZINC000195058100 FD Annotated Anodyne CCc1cc2c(s1)C=NN(S(=O)(=O)c1ccccc1Cl)B2O ZINC000195069089 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3sc(C)cc3B2O)c(Cl)c1 ZINC000195126376 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@]3(CO3)[C@@]2(C)[C@@H]2OC(C)=N[C@]12O ZINC000195137731 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(CO3)[C@@]2(C)[C@@H]2OC(C)=N[C@]12O ZINC000195137744 FD Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)OCC(=O)c1ccccc1 ZINC000195218341 FD Annotated Anodyne C=C1C[C@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@H](C(=O)OCC)[C@H]1N2C ZINC000195257655 FD Annotated Mild C=C1C[C@H]2C(=O)N(Cc3cc(OC)ccc3OC)[C@@H](C(=O)OCC)[C@H]1N2C ZINC000195257665 FD Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@H](COC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H](O2)[C@@H]1C(=O)O ZINC000195311450 FD Annotated Anodyne O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@H](C(=O)O)[C@H]2C(=O)O)[C@@H]1C[C@H]1c1ccccc1 ZINC000195311458 FD Annotated Anodyne O=C(O)[C@@H]1[C@H]2C[C@H](COC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H](O2)[C@@H]1C(=O)O ZINC000195311469 FD Annotated Anodyne O=C(OC[C@H]1C[C@H]2O[C@H]1[C@H](C(=O)O)[C@H]2C(=O)O)[C@@H]1C[C@H]1c1ccccc1 ZINC000195311480 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3c(ccc4ccccc34)B2O)cc1 ZINC000195314744 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000195333716 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000195333725 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@H]2C(=O)NCCCCN(C)[C@H](C(C)C)C(=O)O[C@H]12 ZINC000195345240 FD Annotated Anodyne C/C=C/C[C@H]1CN[C@H]2C(=O)NCCCCN(C)[C@H](C(C)C)C(=O)O[C@H]12 ZINC000195345249 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@H](C(C)C)C(=O)O[C@@H]21 ZINC000195345261 FD Annotated Anodyne C/C=C/C[C@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@H](C(C)C)C(=O)O[C@H]12 ZINC000195345268 FD Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000195352242 FD Annotated Anodyne O=C1[C@H]2C=C(I)[C@H](C[C@H]2OCCCCO)[C@]12CO2 ZINC000195363740 FD Annotated Anodyne COC(=O)[C@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@H](C)C(=O)[C@H](C)[C@H]3[C@@]23C=C[C@H]1O3 ZINC000195371777 FD Annotated Anodyne COC(=O)[C@@H]1[C@@H]2C(=O)N3[C@H](c4ccco4)[C@H](C)C(=O)[C@H](C)[C@H]3[C@@]23C=C[C@H]1O3 ZINC000195371787 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2N=Cc3oc(Br)cc3B2O)cc1 ZINC000195383097 FD Annotated Anodyne CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 ZINC000195387733 FD Annotated Reactive CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)O)cc1 ZINC000195387739 FD Annotated Reactive COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000195401622 FD Annotated Anodyne C/C=C\C(=O)O[C@@H]1C[C@@H]2O[C@@H]3C=C(C)[C@@H](O)[C@H]4OC[C@@]2(O)[C@@]1(C)[C@]43C ZINC000195414169 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@@H]1[C@@H]1[C@@H]2[C@@]2(C)C(C)=C(C)[C@@]1(C)S2=O ZINC000195423129 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2O[C@H]1[C@@H]1[C@@H]2[C@@]2(C)C(C)=C(C)[C@@]1(C)S2=O ZINC000195423137 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@@H]1[C@@H]2[C@@]2(C)C(C)=C(C)[C@@]1(C)S2=O ZINC000195423146 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 ZINC000195439054 FD Annotated Anodyne Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C ZINC000195444026 FD Annotated Anodyne CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000195445479 FD Annotated Anodyne CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)s1 ZINC000195445483 FD Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000195447336 FD Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000195447342 FD Annotated Anodyne O=C(O)c1ccc(N2CCOCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 ZINC000195460242 FD Annotated Anodyne O=C(O)c1ccc(N2CCOCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000195460249 FD Annotated Anodyne O=C(O)[C@@H]1[C@@H](C(=O)O)[C@]23CCCC2=C2CC[C@]3(C(=O)O)[C@]3(C(=O)O)C[C@]213 ZINC000195467307 FD Annotated Anodyne O=C(O)[C@H]1[C@@H](C(=O)O)[C@@]23C[C@@]2(C(=O)O)[C@@]2(C(=O)O)CCC3=C3CCC[C@]312 ZINC000195467312 FD Annotated Anodyne O=C(O)[C@H]1[C@@H](C(=O)O)[C@]23CCCC2=C2CC[C@]3(C(=O)O)[C@]3(C(=O)O)C[C@]213 ZINC000195467317 FD Annotated Anodyne O=C(O)[C@H]1[C@H](C(=O)O)[C@]23CCCC2=C2CC[C@]3(C(=O)O)[C@]3(C(=O)O)C[C@]213 ZINC000195467322 FD Annotated Anodyne C[C@@H]1CO[C@H]2C3=C(C(=O)C=CC3=O)[C@@H]3OC(=O)[C@@H]4C[C@@H]5CC[C@@H]1[C@@H]5[C@@H]2[C@H]43 ZINC000195471499 FD Annotated Mild C[C@H]1CO[C@H]2C3=C(C(=O)C=CC3=O)[C@@H]3OC(=O)[C@@H]4C[C@@H]5CC[C@@H]1[C@@H]5[C@@H]2[C@H]43 ZINC000195471503 FD Annotated Mild C[C@H]1CO[C@@H]2C3=C(C(=O)C=CC3=O)[C@@H]3OC(=O)[C@@H]4C[C@@H]5CC[C@@H]1[C@@H]5[C@@H]2[C@H]43 ZINC000195471511 FD Annotated Mild O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000195473860 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl ZINC000195473865 FD Annotated Anodyne O=S1(=O)[C@H]2C[C@@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@H]1O[C@@H]31 ZINC000195485141 FD Annotated Anodyne O=S1(=O)[C@H]2C[C@@H]3O[C@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@H]1O[C@@H]31 ZINC000195485145 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@@]46O ZINC000195493189 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@]46O ZINC000195493192 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@@H]2[C@@H]3C[C@]46O ZINC000195493197 FD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000195497500 FD Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000195497503 FD Annotated Mild C[C@]12C=C[C@](C)([C@H]3C(=O)[C@@H]4[C@@H](C(=O)[C@@H]31)[C@@]1(C)C=C[C@@]4(C)S1=O)S2=O ZINC000195499662 FD Annotated Anodyne C[C@]12C=C[C@@](C)([C@H]3C(=O)[C@@H]4[C@@H](C(=O)[C@@H]31)[C@@]1(C)C=C[C@@]4(C)S1=O)S2=O ZINC000195499666 FD Annotated Anodyne C[C@@]12C=C[C@](C)([C@@H]3C(=O)[C@H]4[C@H](C(=O)[C@H]31)[C@@]1(C)C=C[C@@]4(C)S1=O)S2=O ZINC000195499670 FD Annotated Anodyne C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@]12C[C@@H](CO)[C@H](CC[C@H]13)C2 ZINC000195854299 FD Annotated Anodyne C/C=C/C=C/C(O)=C1/C(=O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1[C@@H]1OC(=O)C(O)=C[C@@H]12 ZINC000196049135 FD Annotated Mild CCn1cc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c(C(=O)NC)n1 ZINC000196568473 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000196988598 FD Annotated Anodyne C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@@H]1O ZINC000197229389 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(CO1)[C@@H]1C[C@H](OC(C)=O)[C@@H](COC(C)=O)[C@H]21 ZINC000197247287 FD Annotated Mild O=C1C[C@@H](O)[C@H]2c3ccc(O)c4c3[C@@](O)(CCC4=O)c3ccc(O)c1c32 ZINC000197285641 FD Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)O ZINC000197393504 FD Annotated Bother C[C@@H]1C[C@@H]2OC(=O)[C@@H]3CC[C@H]4O[C@H](C5=CC(=O)O[C@@H]5O)C[C@]1(C)[C@@H]4[C@]23C ZINC000197396015 FD Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]45[C@@H](O)CCC(C)(C)[C@H]4C[C@@H](O[C@@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O ZINC000197914914 FD Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]45[C@@H](O)CCC(C)(C)[C@H]4C[C@@H](O[C@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O ZINC000197914922 FD Annotated Mild CC1(C)COB(c2cccc(CN(CCCCN)CCCCN)c2)OC1 ZINC000198010571 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(\C)C(=O)O)C[C@@H]1N2C ZINC000198277214 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C(=O)O)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000198383087 FD Annotated Mild CCCCNc1cc(N[C@@H](CO)[C@H](O)CO)nc2c(C(C)C)cnn12 ZINC000198395955 FD Annotated Anodyne in-vivo CO[C@H]1C=CC2=CCN3CCc4cc(O)c(OS(=O)(=O)O)cc4[C@]23C1 ZINC000198461007 FD Annotated Anodyne C[C@]12[C@H](CC[C@@]34COC(=O)[C@@H]3C=C[C@@H](O)[C@@H]41)C(=O)O[C@@H](c1ccoc1)[C@@H]2O ZINC000198491451 FD Annotated Anodyne CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C[C@](C)(O)C(=O)C[C@@H](O)[C@@](C)(O)[C@@H]2O1 ZINC000198521992 FD Annotated Anodyne CO[C@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC(C)=O)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000198639469 FD Annotated Anodyne COC1=C[C@@H]2[C@@H]3C(=O)c4c(O)cc(OC)c(O)c4[C@]2(CCN3C)CC1=O ZINC000198701123 FD Annotated Mild Cn1c(O[C@@H]2CCCN(c3ccccn3)C2)nc(-c2ccncn2)cc1=O ZINC000198759687 FD Annotated Anodyne Cn1c(O[C@H]2CCCN(c3ccccn3)C2)nc(-c2ccncn2)cc1=O ZINC000198759707 FD Annotated Anodyne C[C@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCn1ccnc1 ZINC000199215081 FD Annotated Anodyne C[C@@]1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCn1ccnc1 ZINC000199215094 FD Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C(C)=O)CC1 ZINC000199215908 FD Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C(C)=O)CC1 ZINC000199215927 FD Annotated Anodyne CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(CC)CC1 ZINC000199215952 FD Annotated Anodyne CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(CC)CC1 ZINC000199215967 FD Annotated Anodyne CC(C)n1nnnc1[C@@H]1c2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000199225416 FD Annotated Anodyne CC(C)n1nnnc1[C@H]1c2ccccc2C(=O)N1CCCN1CCOCC1 ZINC000199225429 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@H](NC(=O)Nc2ccccc2OC)[C@@H](CO)O1 ZINC000199225542 FD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000199225672 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1 ZINC000199225778 FD Annotated Anodyne COC(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(OC)c2)[C@@H](CO)O1 ZINC000199226238 FD Annotated Anodyne COC(=O)C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2OC)[C@@H](CO)O1 ZINC000199226333 FD Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2ccc(OC)cc2)[C@@H](CO)O1 ZINC000199226425 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000199226655 FD Annotated Anodyne COC(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1 ZINC000199227637 FD Annotated Anodyne COCCN1C(=O)CSC[C@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199231355 FD Annotated Anodyne COCCN1C(=O)CSC[C@@]1(C)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000199231369 FD Annotated Anodyne CC(C)NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1C1CCCCCC1 ZINC000199236802 FD Annotated Anodyne CC(C)NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1C1CCCCCC1 ZINC000199236818 FD Annotated Anodyne CCCCNC(=O)[C@H](NC(=O)c1cccnc1OC)C(=O)c1ccccc1 ZINC000199243555 FD Annotated Anodyne CCCCNC(=O)[C@@H](NC(=O)c1cccnc1OC)C(=O)c1ccccc1 ZINC000199243562 FD Annotated Anodyne C[C@H]1C[C@@H](O)C[C@]2(Oc3cc4c(c(O)c3C[C@@H]2C)C(=O)O[C@H]4[C@H](C)O)O1 ZINC000199302472 FD Annotated Anodyne C[C@H]1C[C@@H](O)C[C@]2(Oc3cc4c(c(O)c3C[C@@H]2C)C(=O)O[C@@H]4[C@H](C)O)O1 ZINC000199302880 FD Annotated Anodyne O=C1c2ccccc2-n2nnnc2[C@H]2c3ccccc3-n3nncc3CN12 ZINC000199387501 FD Annotated Anodyne O=C1c2ccccc2-n2nnnc2[C@@H]2c3ccccc3-n3nncc3CN12 ZINC000199387532 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@@]1(C)[C@H](C[C@@H]3O)[C@](C)(C(=O)O)C[C@H](O)[C@@H]1O ZINC000199395551 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O ZINC000199395572 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(C)[C@@H](O)[C@@H](O)C[C@@](C)(C(=O)O)[C@@H]1C[C@@H]3O ZINC000199395605 FD Annotated Mild COC(=O)Cc1nnn2c1[C@H](C)[C@H](c1cccc(OC)c1OC)OCC2 ZINC000199723002 FD Annotated Anodyne COC(=O)Cc1nnn2c1C[C@@H](OC)c1cc(Br)ccc1-2 ZINC000199723314 FD Annotated Anodyne COC(=O)Cc1nnn2c1C[C@H](OC)c1cc(Br)ccc1-2 ZINC000199723332 FD Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCN(C)CC5)ccc4CCN3C[C@@H]12 ZINC000199740186 FD Annotated Anodyne OC[C@@H](O)COCc1cc(O)c(O)c(Br)c1Br ZINC000199773730 FD Annotated Clean C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)OC(=O)[C@@]243)[C@@H]1O ZINC000199895638 FD Annotated Mild C[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](C=CC[C@H]2CO)[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000199928743 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)c2ccccc2C(=O)O)C(C)(C)N1 ZINC000002000113 FD Annotated Anodyne COCCOCCCNCc1cc2cc(S(N)(=O)=O)sc2s1 ZINC000002001451 FD Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1OC[C@H](O)CO ZINC000002006841 FD Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1OC[C@H](O)CO ZINC000002006842 FD Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1OC[C@@H](O)CO ZINC000002006843 FD Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1OC[C@@H](O)CO ZINC000002006844 FD Annotated Anodyne N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCCCCC2)o1 ZINC000002010408 FD Annotated Reactive CC1CCN(Cc2ccc(CNCCN3CCNC3=C(C#N)C#N)o2)CC1 ZINC000002010411 FD Annotated Reactive CCCC[C@H](NCc1c(COP(=O)(O)O)cnc(C)c1O)C(=O)O ZINC000002047161 FD Annotated Anodyne in-vitro C=c1[nH]n(-c2ccc(C)c(C)c2)c(=O)/c1=C/c1ccc2c(c1)n(C)c(=O)n2C ZINC000002163554 FD Annotated Anodyne O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)OCC(=O)c1ccccc1 ZINC000002302788 FD Annotated Anodyne CC(C)Nc1nc(Cl)nc(N(C#N)CN2C(=O)c3ccccc3C2=O)n1 ZINC000002311907 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000002457076 FD Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccccc1F ZINC000002457739 FD Annotated Anodyne O=C(CCNS(=O)(=O)c1cccc2nonc12)Nc1ccc(F)cc1 ZINC000002457748 FD Annotated Anodyne Cc1c(C(=O)N(C)C)sc2[nH]c(=O)n(-c3ccccc3[N+](=O)[O-])c(=O)c12 ZINC000002462044 FD Annotated Bother CC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 ZINC000002464826 FD Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CC[C@H]1C ZINC000002464886 FD Annotated Anodyne Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CC[C@@H]1C ZINC000002464888 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCCCN2CCCC2=O)cc1 ZINC000002465516 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCCCN2CCCC2=O)cc1 ZINC000002465517 FD Annotated Anodyne O=C(Cn1c(=O)n(-c2ccc(F)cc2)c(=O)c2sccc21)N1CCCC1 ZINC000002466697 FD Annotated Anodyne NC(=O)Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 ZINC000002467536 FD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC[C@H]1CCCO1 ZINC000002467815 FD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC[C@@H]1CCCO1 ZINC000002467816 FD Annotated Anodyne O=C(N[C@]1(C(F)(F)F)NC(c2ccccc2F)=NC1=O)c1ccncc1 ZINC000002471654 FD Annotated Anodyne O=C(N[C@@]1(C(F)(F)F)NC(c2ccccc2F)=NC1=O)c1ccncc1 ZINC000002471657 FD Annotated Anodyne O=C(O)CCc1nn2c3ccccc3nc2n(CCN2CCCCC2)c1=O ZINC000002472528 FD Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)O)C2=O ZINC000002479577 FD Annotated Anodyne O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)cc1)C(=O)O)C2=O ZINC000002479579 FD Annotated Anodyne in-vivo CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000002481889 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)s1 ZINC000002481902 FD Annotated Anodyne C[C@H](C(=O)Nc1ccc2nccnc2c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000002485356 FD Annotated Anodyne O=C(NCCO)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493021 FD Annotated Anodyne O=C(NCCO)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493023 FD Annotated Anodyne O=C(NCCO)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493026 FD Annotated Anodyne O=C(NCCO)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 ZINC000002493031 FD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCO ZINC000002493041 FD Annotated Anodyne O=C(CCS(=O)(=O)c1cccc2nonc12)NCc1cccs1 ZINC000002496242 FD Annotated Anodyne CCCN(CCOC)c1ccc2[nH]c(=O)c(CCC(=O)OCC)nc2n1 ZINC000002497886 FD Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)CC1 ZINC000002499786 FD Annotated Anodyne C[C@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCOCC1 ZINC000020035757 FD Annotated Anodyne C[C@@H](C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCOCC1 ZINC000020035761 FD Annotated Anodyne CCN1CCN(CC(=O)N2CCCc3c2c(=O)oc2ccc(O)cc32)CC1 ZINC000020035768 FD Annotated Anodyne O=C(CCN1CCOCC1)N1CCCc2c1c(=O)oc1ccc(O)cc21 ZINC000020035894 FD Annotated Anodyne CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(OC)c3OC)[C@@]12C#N ZINC000020058477 FD Annotated Mild CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(OC)c3OC)[C@@]12C#N ZINC000020058479 FD Annotated Mild CC[C@@H](C)c1n[nH]c2c1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CC2 ZINC000020109447 FD Annotated Anodyne CC[C@H](C)c1n[nH]c2c1CN(C(=O)c1ccc3[nH]c(=O)c(=O)[nH]c3c1)CC2 ZINC000020109448 FD Annotated Anodyne CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(N)=O)[nH]c2=O)cc1 ZINC000020132064 FD Annotated Anodyne CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCOCC3)ccc2O1 ZINC000020136880 FD Annotated Anodyne CCN1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1 ZINC000020137366 FD Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3n[nH]c(=O)c4ccccc34)n1)CCNC2 ZINC000020137470 FD Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)N[C@@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150397 FD Annotated Anodyne COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150399 FD Annotated Anodyne CCOC(=O)[C@@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150439 FD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@@H]21 ZINC000020150440 FD Annotated Anodyne CCC[C@@]1(C(=O)OC)N[C@H](c2cccc(F)c2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000020150510 FD Annotated Anodyne O=C(c1cnc2ccccc2c1)N1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000020209693 FD Annotated Anodyne O=C(c1cnc2ccccc2c1)N1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000020209696 FD Annotated Anodyne CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc(N)ccn3)CC2)[C@H]1O ZINC000020212293 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000020234515 FD Annotated Anodyne Cc1c[nH]c(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)n1 ZINC000020255620 FD Annotated Anodyne C[C@@H](O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1 ZINC000020256125 FD Annotated Anodyne C[C@H](O)c1cn(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)nn1 ZINC000020256127 FD Annotated Anodyne Cc1cccc(CN2CCN(Cc3cccc4nonc34)C[C@@H]2CCO)n1 ZINC000020256499 FD Annotated Anodyne OCCNc1cc(N2CCC(n3cc(C4CCCC4)nn3)CC2)ncn1 ZINC000020256857 FD Annotated Anodyne CCn1nc(C)c(NC(=O)Cn2ncc(N3CCCCC3)cc2=O)c1C ZINC000020272655 FD Annotated Anodyne CCOC(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000020287243 FD Annotated Anodyne CCOC(=O)N1CCN(C[C@H](O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000020287245 FD Annotated Anodyne CN(C)c1cnn(CC(=O)Nc2c(-c3ccccc3)cnn2C)c(=O)c1 ZINC000020325951 FD Annotated Anodyne CCNC(=O)c1ccc([C@@H]2CCCN2C(=O)CCc2ccc(=O)[nH]n2)s1 ZINC000020363459 FD Annotated Anodyne CCNC(=O)c1ccc([C@H]2CCCN2C(=O)CCc2ccc(=O)[nH]n2)s1 ZINC000020363462 FD Annotated Anodyne Cc1ncc2c(c1-c1noc(-c3ccc(-c4nnn(C)n4)cc3)n1)CCNC2 ZINC000020364078 FD Annotated Anodyne CCc1nn(CC(=O)N2CCN(CC)CC2)c(=O)c2cc3sccc3n12 ZINC000020384130 FD Annotated Anodyne Cc1ccccc1C(=O)c1cccn1CC(=O)NCCN1CCN(C)CC1 ZINC000020414875 FD Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@H](O)[C@@H](N2CCOCC2)C1 ZINC000020454119 FD Annotated Anodyne CN(C)c1cnn(CC(=O)Nc2ccnn2Cc2cccs2)c(=O)c1 ZINC000020455640 FD Annotated Anodyne Cc1ccc2c(cnn2C(=O)CCC(=O)NCCCN2CCOCC2)c1 ZINC000020464347 FD Annotated Anodyne Cn1c(C(=O)N2CCn3cc(C(=O)NO)cc3C2)cc(Cl)c1Cl ZINC000200065543 FD Annotated Anodyne C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@H](O)C1=CCOC1=O ZINC000200486179 FD Annotated Mild CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)NC1=CC(=O)C=C[C@]14O)[C@@H]32 ZINC000200658429 FD Annotated Mild COC(=O)[C@@]12C[C@]3(C(C)=O)C=CCN4CC[C@@]1(c1ccccc1NC2=O)[C@@H]43 ZINC000200663477 FD Annotated Anodyne CN1CC[C@@]23C(=O)C[C@@H](/C(=C\CO)C1)c1ccc(=O)n(c12)-c1ccccc13 ZINC000200864804 FD Annotated Anodyne O=C1CC=C2[C@H]3C[C@]4(O)N(CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C/CO ZINC000200867257 FD Annotated Anodyne COc1nc(OC)nc(N2CCC(C(=O)N(C)Cc3ccco3)CC2)n1 ZINC000201449856 FD Annotated Anodyne Cc1nn(CCC(=O)NNC(=O)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000201455349 FD Annotated Reactive Cc1nn(CCC(=O)NNC(=O)Nc2ccccc2F)c(C)c1[N+](=O)[O-] ZINC000201455397 FD Annotated Reactive C[C@H](Cl)C(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201464928 FD Annotated Reactive C[C@@H](Cl)C(=O)N1CCC(C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000201464962 FD Annotated Reactive C[C@H](Cl)C(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201464997 FD Annotated Reactive C[C@@H](Cl)C(=O)N1CCC(C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000201465035 FD Annotated Reactive C#CCNC(=O)C[C@H]1C[C@@]2(C(=O)OCC)CCCC3=C2N(CCC3)C1=O ZINC000201482938 FD Annotated Mild O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2nn[nH]n2)CC1 ZINC000201788249 FD Annotated Anodyne O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000201794755 FD Annotated Anodyne O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000201794773 FD Annotated Anodyne CC[C@H](CN)C[C@H](C)CCNC[C@H](O)CNC[C@@H](C)C[C@@H](CC)CN ZINC000202063390 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13[C@@H]2O ZINC000202550000 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]13O[C@@H]1CC=C4C(=O)OC[C@@]4(C[C@H]3O)[C@@H]12 ZINC000202804283 FD Annotated Anodyne COc1ccccc1-c1cnc(N)c(C#CCNS(=O)(=O)C2CC2)c1 ZINC000203356295 FD Annotated Mild N#C[C@H]1c2ccccc2-n2nncc2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000203468839 FD Annotated Mild N#C[C@@H]1c2ccccc2-n2nncc2CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000203468845 FD Annotated Mild O=C(NCCO)[C@@]1(C(=O)C2CC2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203473964 FD Annotated Anodyne O=C(NCCO)[C@]1(C(=O)C2CC2)CC(c2ccccc2C(F)(F)F)=NO1 ZINC000203473969 FD Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cnn(CC3OCCO3)c2)ccc1F ZINC000204411213 FD Annotated Anodyne CC(C)(O)[C@H](CO)NCc1ccnc(-c2ccc(C(F)(F)F)nc2)n1 ZINC000204411275 FD Annotated Anodyne C[C@@H](O)[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C(N)=O ZINC000204420908 FD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)C[S@](=O)[C@@H]1c1cc(F)cc(F)c1F ZINC000204682507 FD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)C[S@](=O)[C@H]1c1cc(F)cc(F)c1F ZINC000204682527 FD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)C[S@@](=O)[C@@H]1c1cc(F)cc(F)c1F ZINC000204682543 FD Annotated Anodyne N[C@H]1C[C@@H](N2Cc3cn[nH]c3C2)C[S@@](=O)[C@H]1c1cc(F)cc(F)c1F ZINC000204682559 FD Annotated Anodyne N#C[C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2cnc3c(c2)CNC3=O)n1 ZINC000204947026 FD Annotated Mild CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)NCCN1CCOCC1 ZINC000020503960 FD Annotated Anodyne CCN1CCN(C2(C(=O)N(C)C3CCOCC3)Cc3ccccc3C2)CC1 ZINC000020513757 FD Annotated Anodyne Cc1ccn2cc(C(=O)N3CCC[C@@H](Cn4cc(CO)nn4)C3)nc2c1 ZINC000020515394 FD Annotated Anodyne Cc1ccn2cc(C(=O)N3CCC[C@H](Cn4cc(CO)nn4)C3)nc2c1 ZINC000020515398 FD Annotated Anodyne O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)NC1CCCC1 ZINC000020530321 FD Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(C)cc1 ZINC000020531773 FD Annotated Anodyne CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCOC(C)C ZINC000020531819 FD Annotated Anodyne CC1=C(C(=O)NCCCN2CCOCC2)C2(CCCCCC2)OC1=O ZINC000020532899 FD Annotated Anodyne COCc1noc(Cn2ncc(N3CCc4ccccc4C3)cc2=O)n1 ZINC000020534563 FD Annotated Anodyne Cc1ccc2c(C(=O)N[C@@H]3CCN(C)C3=O)cc(-c3cnn(C)c3)nc2c1 ZINC000020537016 FD Annotated Anodyne Cc1ccc2c(C(=O)N[C@H]3CCN(C)C3=O)cc(-c3cnn(C)c3)nc2c1 ZINC000020537018 FD Annotated Anodyne O=C(Cn1ncc(N2CCCC2)cc1=O)NC[C@@H]1OCCc2ccccc21 ZINC000020538254 FD Annotated Anodyne O=C(Cn1ncc(N2CCCC2)cc1=O)NC[C@H]1OCCc2ccccc21 ZINC000020538257 FD Annotated Anodyne CN1CCN(c2cccc(N3CCC(NC[C@@H]4COCCO4)CC3)c2)C1=O ZINC000020538314 FD Annotated Anodyne CN1CCN(c2cccc(N3CCC(NC[C@H]4COCCO4)CC3)c2)C1=O ZINC000020538317 FD Annotated Anodyne O=C(Cn1ncc(N2CCCCC2)cc1=O)c1ccc2c(c1)OCCO2 ZINC000020540344 FD Annotated Anodyne Cn1ncc(N2CCN(C(=O)c3csc4c3CCCC4)CC2)cc1=O ZINC000020541249 FD Annotated Anodyne CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)Cn3cncn3)CC2)[C@H]1O ZINC000020542049 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000020557944 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000020557946 FD Annotated Anodyne O=C(Cn1cnc2onc(-c3ccc(F)cc3)c2c1=O)N1CCOCC1 ZINC000020574322 FD Annotated Anodyne CN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1 ZINC000020574774 FD Annotated Anodyne O[C@H]1[C@H](N2CCN(c3cnccn3)CC2)c2ccccc2C12CCNCC2 ZINC000020636782 FD Annotated Anodyne CCCNC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCOCC1)[C@@H]2O ZINC000020637186 FD Annotated Anodyne COc1ccc(C(N)=O)cc1N1C(=O)C[C@@H](NCc2ccc(F)cc2)C1=O ZINC000020663279 FD Annotated Anodyne Cc1nc(CC(C)C)cc(C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)n1 ZINC000020774609 FD Annotated Anodyne CCOCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O ZINC000020778083 FD Annotated Anodyne CN(C)c1cnn(CC(=O)NCc2ccc(-c3ccccn3)s2)c(=O)c1 ZINC000020778954 FD Annotated Anodyne CCOC(=O)N1CCN([C@@H]2CCCN(C(=O)C(=O)CC(C)C)C2)CC1 ZINC000020780052 FD Annotated Anodyne CCOC(=O)N1CCN([C@H]2CCCN(C(=O)C(=O)CC(C)C)C2)CC1 ZINC000020780055 FD Annotated Anodyne O=c1cc(CCn2cccn2)nc(-c2cccc(CN3CC[C@@H](O)C3)c2)[nH]1 ZINC000020865474 FD Annotated Anodyne Cn1ncc(N2CCN(C(=O)C#Cc3ccc4ccccc4c3)CC2)cc1=O ZINC000020867597 FD Annotated Mild CC1=C(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)OCCO1 ZINC000020877910 FD Annotated Anodyne COCCCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901420 FD Annotated Anodyne COCCCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1 ZINC000020901422 FD Annotated Anodyne Cc1nonc1CC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O ZINC000020916570 FD Annotated Anodyne Cc1noc2ncn(CC(=O)NCCN3CCCc4ccccc43)c(=O)c12 ZINC000020941844 FD Annotated Anodyne CCN1CCN(C(=O)C2CCN(c3ncnc4onc(C)c34)CC2)CC1 ZINC000020945023 FD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)nn1C ZINC000020994143 FD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)nn1C ZINC000020994146 FD Annotated Anodyne O[C@H]1[C@H](N2CCOCC2)c2ccccc2C12CCN(Cc1c[nH]cn1)CC2 ZINC000020994482 FD Annotated Anodyne Cn1ncc(N2CCN(Cc3c[nH]nc3C3CCCCC3)CC2)cc1=O ZINC000020995495 FD Annotated Anodyne NCC1CCN(c2cnn(CCOC(=O)c3ccccc3)c(=O)c2)CC1 ZINC000020998176 FD Annotated Anodyne CN(C)C(=O)N1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000020998773 FD Annotated Anodyne CN(C)c1cnn(CC(=O)N[C@@H](Cn2cccn2)c2ccccc2)c(=O)c1 ZINC000020999735 FD Annotated Anodyne CN(C)c1cnn(CC(=O)N[C@H](Cn2cccn2)c2ccccc2)c(=O)c1 ZINC000020999736 FD Annotated Anodyne CCn1cc(C(=O)N2CCOc3ccc(CN4CCOCC4)cc3C2)cn1 ZINC000020999745 FD Annotated Anodyne CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3C4=C(CCC(=O)C4(C)C)[C@@H](O)[C@H]23)OC1=O ZINC000205039827 FD Annotated Anodyne CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000205045961 FD Annotated Mild CS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@H]3C#N)cc2C(N)=O)cc1 ZINC000205045996 FD Annotated Mild COC[C@@H](O)CN1CCC(=O)N(CC(=O)C(C)(C)C)Cc2ccccc21 ZINC000205130955 FD Annotated Anodyne COC[C@H](O)CN1CCC(=O)N(CC(=O)C(C)(C)C)Cc2ccccc21 ZINC000205130976 FD Annotated Anodyne CC(C)CNc1ccc2c(n1)C(=O)N([C@H](C)C(=O)NC1CCC(O)CC1)C2 ZINC000205206396 FD Annotated Anodyne CNC(=O)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205207493 FD Annotated Anodyne COCCNC(=O)C1(N2Cc3ccc(Nc4ccncc4)nc3C2=O)CC1 ZINC000205216291 FD Annotated Anodyne C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(Cl)cc32)[C@@H](CO)CN1 ZINC000205476054 FD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(OC)ncc21 ZINC000205477327 FD Annotated Anodyne CC1=CC(=O)[C@H]2[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]23C(=O)OC[C@@H]13 ZINC000205573435 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 ZINC000205577662 FD Annotated Mild biogenic O=C(NCc1ccc(O)cc1)c1[nH]c(-c2ccc(F)cc2)nc(=O)c1O ZINC000205688045 FD Annotated Anodyne CN1C(N)=[N+](C)C[C@H]1c1c(C(=O)O)[nH]c2ccc(Br)cc12 ZINC000205707168 FD Annotated Anodyne CN1C(N)=[N+](C)C[C@H]1c1c(C(=O)O)[nH]c2cc(O)c(Br)cc12 ZINC000205713443 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@]1(CCNC=O)N=c2ccccc2=C1NCC3 ZINC000205718604 FD Annotated Anodyne COc1ccc2c(c1)=NC1=C3NCC[C@]34c3ccccc3N=CN4CCC=21 ZINC000205718688 FD Annotated Anodyne COc1cc2c(c(O)c1[C@H]1CCCN1)C(=O)c1c(O)cc(CO)cc1C2=O ZINC000205731119 FD Annotated Clean CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C#N ZINC000205784627 FD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CO ZINC000205808601 FD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2)CO ZINC000205808625 FD Annotated Mild O=C1NCc2nc3ccccc3n2[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000205860161 FD Annotated Anodyne O=C1NCc2nc3ccccc3n2[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000205860180 FD Annotated Anodyne O=C1C2=CNNN2CCN1c1c(-c2ccccc2)nc2ccccc2nc1=O ZINC000205863053 FD Annotated Anodyne COc1ccc([C@@H]2[C@@H](C(=O)N3CCOCC3)CC(=O)N2C(=O)C2CC2)cc1 ZINC000206024277 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO ZINC000206064995 FD Annotated Anodyne CC[C@]1(O)C[C@@]2(CC)O/C(=C\C(=O)OC)[C@@]3(CC)O[C@@H]([C@H](C)O)[C@@H]1[C@H]32 ZINC000206072261 FD Annotated Anodyne CC1(C)OB([C@H]2C(OC3CC3)=CC=C[C@H]2NS(C)(=O)=O)OC1(C)C ZINC000206128250 FD Annotated Mild CC1(C)OB([C@@H]2C(OC3CC3)=CC=C[C@H]2NS(C)(=O)=O)OC1(C)C ZINC000206128275 FD Annotated Mild CC1(C)OB([C@H]2C(OC3CC3)=CC=C[C@@H]2NS(C)(=O)=O)OC1(C)C ZINC000206128299 FD Annotated Mild CC1(C)OB([C@@H]2C(OC3CC3)=CC=C[C@@H]2NS(C)(=O)=O)OC1(C)C ZINC000206128325 FD Annotated Mild CC1(C)OB(C2=CC=C[C@H](NS(C)(=O)=O)[C@@H]2OC2CC2)OC1(C)C ZINC000206129686 FD Annotated Mild CC1(C)OB(C2=CC=C[C@@H](NS(C)(=O)=O)[C@@H]2OC2CC2)OC1(C)C ZINC000206129715 FD Annotated Mild CC1(C)OB(C2=CC=C[C@H](NS(C)(=O)=O)[C@H]2OC2CC2)OC1(C)C ZINC000206129745 FD Annotated Mild CC1(C)OB(C2=CC=C[C@@H](NS(C)(=O)=O)[C@H]2OC2CC2)OC1(C)C ZINC000206129772 FD Annotated Mild CC1(C)OB(c2cccc(OC3CC3)c2NS(C)(=O)=O)OC1(C)C ZINC000206143220 FD Annotated Mild CC1(C)OB(c2nccc(OC3CC3)c2NS(C)(=O)=O)OC1(C)C ZINC000206143256 FD Annotated Mild CC1(C)OB(c2cncc(OC3CC3)c2NS(C)(=O)=O)OC1(C)C ZINC000206143284 FD Annotated Mild CC1(C)OB(c2ccc(OC3CC3)cc2NS(C)(=O)=O)OC1(C)C ZINC000206143310 FD Annotated Mild CC1(C)OB(c2ncc(OC3CC3)cc2NS(C)(=O)=O)OC1(C)C ZINC000206143344 FD Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(NS(C)(=O)=O)c2)OC1(C)C ZINC000206143376 FD Annotated Mild CC1(C)OB(c2cc(NS(C)(=O)=O)c(OC3CC3)cn2)OC1(C)C ZINC000206143407 FD Annotated Mild CC1(C)OB(c2cc(NS(C)(=O)=O)cc(OC3CC3)c2)OC1(C)C ZINC000206143441 FD Annotated Mild CC1(C)OB(c2cc(OC3CC3)cc(NS(C)(=O)=O)n2)OC1(C)C ZINC000206143477 FD Annotated Mild CC1(C)OB(c2ccc(NS(C)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206143512 FD Annotated Mild CC1(C)OB(c2ccc(NS(C)(=O)=O)c(OC3CC3)c2)OC1(C)C ZINC000206143550 FD Annotated Mild CC1(C)OB(c2cc(NS(C)(=O)=O)ccc2OC2CC2)OC1(C)C ZINC000206143592 FD Annotated Mild CC1(C)OB(c2nc(NS(C)(=O)=O)ccc2OC2CC2)OC1(C)C ZINC000206143628 FD Annotated Mild CC1(C)OB(c2cc(OC3CC3)ccc2NS(C)(=O)=O)OC1(C)C ZINC000206143669 FD Annotated Mild CC1(C)OB(c2ncc(NS(C)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206143704 FD Annotated Mild CC1(C)OB(c2cc(OC3CC3)c(NS(C)(=O)=O)cn2)OC1(C)C ZINC000206143746 FD Annotated Mild CC1(C)OB(c2c(NS(C)(=O)=O)cncc2OC2CC2)OC1(C)C ZINC000206143781 FD Annotated Mild CC1(C)OB(c2ccc(OC3CC3)c(NS(C)(=O)=O)n2)OC1(C)C ZINC000206143815 FD Annotated Mild CC1(C)OB(c2cnc(NS(C)(=O)=O)cc2OC2CC2)OC1(C)C ZINC000206143857 FD Annotated Mild CC1(C)OB(c2cnc(NS(C)(=O)=O)c(OC3CC3)c2)OC1(C)C ZINC000206143891 FD Annotated Mild CC1(C)OB(c2cc(NS(C)(=O)=O)ncc2OC2CC2)OC1(C)C ZINC000206143925 FD Annotated Mild CC1(C)OB(c2cc(OC3CC3)cnc2NS(C)(=O)=O)OC1(C)C ZINC000206143969 FD Annotated Mild CC1(C)OB(c2c(OC3CC3)ccnc2NS(C)(=O)=O)OC1(C)C ZINC000206144008 FD Annotated Mild CC1(C)OB(c2nccc(NS(C)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206144044 FD Annotated Mild CC1(C)OB(c2cncc(NS(C)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206144083 FD Annotated Mild CC1(C)OB(c2ccnc(NS(C)(=O)=O)c2OC2CC2)OC1(C)C ZINC000206144122 FD Annotated Mild CCO[Si](OCC)(OCC)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 ZINC000206156318 FD Annotated Reactive Cc1c(O)c(O)c2c(c1C=O)[C@H]1O[C@@H](O2)c2c(O)c(O)c(O)c(C)c2C1=O ZINC000206164027 FD Annotated Clean CC1(C)OB(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)OC1(C)C ZINC000206187718 FD Annotated Mild CC1(C)OB(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)OC1(C)C ZINC000206187757 FD Annotated Mild CC1(C)OB(c2cnc(N3CCOCC3)c(Br)c2)OC1(C)C ZINC000206188989 FD Annotated Mild CC[C@H](C)N1CN[C@@H]2[C@@H](C1)C(=O)NC(=O)N2Cc1ccccc1Cl ZINC000206257012 FD Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@@H]12 ZINC000206392791 FD Annotated Clean COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccc(N)cc3)C(=O)C[C@H]12 ZINC000206392827 FD Annotated Clean COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccnc3)C(=O)C[C@@H]12 ZINC000206393046 FD Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3cccnc3)C(=O)C[C@H]12 ZINC000206393076 FD Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000206393127 FD Annotated Anodyne COc1ccc2c(c1)OC(N)=C1C(=O)N(Cc3ccncc3)C(=O)C[C@H]12 ZINC000206393163 FD Annotated Anodyne COC1=C/C(=c2/ccnc3c2=C(C)NN3c2ccc(OC)cc2)C=CC1=O ZINC000206395047 FD Annotated Mild C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCc2ccccc2C1 ZINC000206425968 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCc2ccccc2C1 ZINC000206426036 FD Annotated Anodyne COc1cc([C@@H]2OC[C@@H](Cc3ccc4c(c3)OCO4)[C@@]2(O)CO)ccc1O ZINC000206483452 FD Annotated Anodyne CC(C)N1CCN(C(=O)OC2CCN(c3ccn(C)c(=O)c3)CC2)CC1 ZINC000206797858 FD Annotated Anodyne O=C1N=c2ccc(NC(=O)CCc3nc(-c4cccs4)no3)cc2=N1 ZINC000206939012 FD Annotated Anodyne O=C1CC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)NN1 ZINC000207124854 FD Annotated Anodyne O=C1CC[C@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)NN1 ZINC000207124899 FD Annotated Anodyne C/C=C\c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](O)O2 ZINC000207601430 FD Annotated Clean C[C@]1(CO)C(=O)CC[C@@]2(C)[C@@H]3CC[C@@H](C(O)(CO)CO)CC3=CC[C@H]12 ZINC000207619117 FD Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C1C[C@H](C(O)(CO)CO)CC[C@H]12 ZINC000207619164 FD Annotated Anodyne CCN(C(=O)C[C@@H]1C(=O)N[C@@H](c2ncccn2)N[C@H]1C)c1ccccc1 ZINC000207688373 FD Annotated Anodyne CCN(C(=O)C[C@@H]1C(=O)N[C@@H](c2ncccn2)N[C@@H]1C)c1ccccc1 ZINC000207688462 FD Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(C)Cc2ncc(-c3ccccc3)o2)[C@H]1N ZINC000207792613 FD Annotated Anodyne CCCCN1C(=O)NC(=O)[C@@H](N(C)Cc2ncc(-c3ccccc3)o2)[C@@H]1N ZINC000207792650 FD Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(C)Cc2ncc(-c3ccccc3)o2)[C@H]1N ZINC000207792690 FD Annotated Anodyne CCCCN1C(=O)NC(=O)[C@H](N(C)Cc2ncc(-c3ccccc3)o2)[C@@H]1N ZINC000207792731 FD Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ncccn3)N[C@H]2C)c1 ZINC000207833564 FD Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N[C@@H](c3ncccn3)N[C@@H]2C)c1 ZINC000207833646 FD Annotated Anodyne Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H](c3ccccn3)NC2=O)cn1 ZINC000208759793 FD Annotated Anodyne Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H](c3ccccn3)NC2=O)cn1 ZINC000208759860 FD Annotated Anodyne Cn1c[n+](C)cc1C(=O)c1nc(C(=O)O)cc2c1[nH]c1ccc(O)cc12 ZINC000208937206 FD Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@H]2O ZINC000208951975 FD Annotated Anodyne CN1C=CN(CCOCCN(C)S(=O)(=O)C(F)(F)F)/C1=C/N=O ZINC000209135936 FD Annotated Anodyne C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)CC1=O ZINC000209517603 FD Annotated Mild COc1cccc(-c2n[nH]c(SCc3cc(O)n4ncnc4n3)n2)c1 ZINC000021093314 FD Annotated Anodyne COc1ccc(-c2n[nH]c(SCc3cc(O)n4ncnc4n3)n2)cc1 ZINC000021093331 FD Annotated Anodyne CCOc1ccc(CNc2nc3nc(CC(=O)OC)cc(O)n3n2)cc1 ZINC000021178322 FD Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccc(OCC)cc3)nc2n1 ZINC000021178332 FD Annotated Anodyne CCOC(=O)Cc1cc(O)n2nc(NCc3ccccc3OC)nc2n1 ZINC000021178428 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@@H]1C=C[C@@H](O)[C@@H]32 ZINC000210663163 FD Annotated Anodyne COC1=CC2=C3C(C)=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O ZINC000211034989 FD Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/CN(CCC[C@H](C(=O)O)[N+](C)(C)C)C(=N)N ZINC000211540570 FD Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/CN(CCC[C@H](C(=O)O)[N+](C)(C)C)C(=N)N ZINC000211540647 FD Annotated Mild Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1NNC(=O)[C@H]2CCCC[C@H]21 ZINC000211842180 FD Annotated Anodyne Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1NNC(=O)[C@H]2CCCC[C@@H]21 ZINC000211842319 FD Annotated Anodyne CCN1C(=O)NC(=O)[C@@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1N ZINC000212212394 FD Annotated Anodyne CCN1C(=O)NC(=O)[C@@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1N ZINC000212212461 FD Annotated Anodyne CCN1C(=O)NC(=O)[C@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)[C@H]1N ZINC000212212521 FD Annotated Anodyne CCN1C(=O)NC(=O)[C@H](N(C)Cc2coc(-c3ccc(F)cc3)n2)[C@@H]1N ZINC000212212601 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC#Cc1ccccc1 ZINC000212589003 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC#Cc1ccccc1 ZINC000212589106 FD Annotated Anodyne CCN(Cc1ccco1)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C ZINC000212589272 FD Annotated Anodyne CCN(Cc1ccco1)C(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C ZINC000212589399 FD Annotated Anodyne CC(=O)O[C@H]1Nc2c(ccc(C)c2O)C(=O)N2C=C(/C=C\C(N)=O)C[C@@H]12 ZINC000213677369 FD Annotated Anodyne CO[C@H]1[C@H](O)c2coc(=O)c3c2[C@@](C)(c2ccc4c(c2-3)CCC4=O)[C@H]1O ZINC000214171214 FD Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccn2)[C@H]2CCCC[C@@H]2N1 ZINC000214281454 FD Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccn2)[C@H]2CCCC[C@H]2N1 ZINC000214281566 FD Annotated Anodyne COc1cc(CCN/C=C\C2=CC(C(=O)O)=N[C@H](C(=O)O)C2)ccc1O ZINC000214774176 FD Annotated Anodyne COc1cc(CCN/C=C\C2=CC(C(=O)O)=N[C@@H](C(=O)O)C2)ccc1O ZINC000214774231 FD Annotated Anodyne COc1cc(CCN/C=C/C2=CC(C(=O)O)=N[C@@H](C(=O)O)C2)ccc1O ZINC000214774281 FD Annotated Anodyne CCOC(=O)c1nc(N2CCC[C@@H](C(=O)OCC)C2)c2c(C)noc2n1 ZINC000021646052 FD Annotated Anodyne CCOC(=O)c1nc(N2CCC[C@H](C(=O)OCC)C2)c2c(C)noc2n1 ZINC000021646057 FD Annotated Anodyne O=C(c1cc2n(n1)CCCN(Cc1cccc(F)c1)C2=O)N1CCOCC1 ZINC000021934035 FD Annotated Anodyne Cc1cccc(CN2CCCn3nc(C(=O)N4CCOCC4)cc3C2=O)c1 ZINC000021934044 FD Annotated Anodyne C[C@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CO ZINC000215739255 FD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCc1sc(C(N)=O)nc1-2)CO ZINC000215739306 FD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC(O)(CF)CF)c(F)cc1OCC2 ZINC000215749401 FD Annotated Mild C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CC#N ZINC000215751022 FD Annotated Mild C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)CC#N ZINC000215751063 FD Annotated Mild CN(C)Cc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2 ZINC000215752339 FD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2)[C@@H]1CCCO1 ZINC000215777830 FD Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2)[C@@H]1CCCO1 ZINC000215777874 FD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2)[C@H]1CCCO1 ZINC000215777929 FD Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1CCO2)[C@H]1CCCO1 ZINC000215777971 FD Annotated Mild C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215894898 FD Annotated Reactive C#CCSc1nc(NN=C(N)N)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000215895035 FD Annotated Mild C#CCSc1nc(NNC(N)=S)c(C#N)c(-c2cccc(OC)c2)n1 ZINC000215990018 FD Annotated Mild [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NN[C@@H](CS)C(=O)O)c(F)c1F ZINC000216180988 FD Annotated Reactive [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NN[C@H](CS)C(=O)O)c(F)c1F ZINC000216181031 FD Annotated Reactive CC(=O)N(O)C[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000217072832 FD Annotated Anodyne COc1cc(O)c2c(c1)OC[C@](O)(Cc1ccc(OC)c(OC)c1)C2=O ZINC000218611668 FD Annotated Anodyne COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cc(C)c(C#N)cc21 ZINC000219000558 FD Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2nnc(Cl)cc21 ZINC000219015004 FD Annotated Anodyne N/C(=N\N=C\c1cccc(C(=O)O)c1)N/N=C/c1cccc(C(=O)O)c1 ZINC000219126485 FD Annotated Mild C[C@H]1Cn2c(nnc2-c2cnccn2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000219128503 FD Annotated Bother N#C[C@H](Cc1ccc(N2CCOCC2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2 ZINC000219318272 FD Annotated Mild Cn1cc(-c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)cn1 ZINC000219321129 FD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ncn[nH]1 ZINC000219412974 FD Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1)c1ncn[nH]1 ZINC000219413032 FD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1O[C@@H](CO)C2 ZINC000219439246 FD Annotated Mild NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCCC3)ccc1O[C@H](CO)C2 ZINC000219439333 FD Annotated Mild COC[C@@](C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2 ZINC000219445887 FD Annotated Mild COC[C@](C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1cc(C(N)=O)nc1-2 ZINC000219445959 FD Annotated Mild C[C@]12CC[C@](O)(C#Cc3ccc4c(c3)-c3nc(C(N)=O)cn3CCO4)[C@@H]1O2 ZINC000219453296 FD Annotated Mild C[C@]12CC[C@@](O)(C#Cc3ccc4c(c3)-c3nc(C(N)=O)cn3CCO4)[C@@H]1O2 ZINC000219453446 FD Annotated Mild C[C@@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1C(F)(F)CO2)CF ZINC000219459607 FD Annotated Mild C[C@](O)(C#Cc1ccc2c(c1)-n1nc(C(N)=O)cc1C(F)(F)CO2)CF ZINC000219459875 FD Annotated Mild COC[C@@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1 ZINC000219484109 FD Annotated Mild COC[C@](C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)cn1C1CC2C1 ZINC000219484198 FD Annotated Mild NC(=O)c1nc2c(s1)[C@@H](O)COc1ccc(C#CC3(O)CCCC3)cc1-2 ZINC000219486377 FD Annotated Mild NC(=O)c1nc2c(s1)[C@H](O)COc1ccc(C#CC3(O)CCCC3)cc1-2 ZINC000219505288 FD Annotated Mild Cc1nc(CN2CCn3nc([C@@H](O)c4ccnn4C)cc3C2)c(C)s1 ZINC000219564118 FD Annotated Anodyne Cc1nc(CN2CCn3nc([C@H](O)c4ccnn4C)cc3C2)c(C)s1 ZINC000219564184 FD Annotated Anodyne Cc1noc(-c2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2F)n1 ZINC000219737940 FD Annotated Anodyne Cc1noc(-c2ccc(N3C[C@@H](CNC(N)=S)OC3=O)cc2F)n1 ZINC000219738016 FD Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958299 FD Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219960250 FD Annotated Anodyne in-vitro NCCNCCOCCOc1cccc2c1C(=O)c1ccccc1C2=O ZINC000022442296 FD Annotated Clean NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCC[C@@H]3F)ccc1OCC2 ZINC000220010548 FD Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@@]3(O)CCC[C@@H]3F)ccc1OCC2 ZINC000220010592 FD Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCC[C@H]3F)ccc1OCC2 ZINC000220010656 FD Annotated Mild NC(=O)c1cc2n(n1)-c1cc(C#C[C@@]3(O)CCC[C@H]3F)ccc1OCC2 ZINC000220010723 FD Annotated Mild Cc1c(/C=C/C(=O)N2CCN(C)CC2)c(=O)oc2c(C=O)c(O)ccc12 ZINC000220427671 FD Annotated Anodyne COc1cc(O)c(C=O)c2oc(=O)c(CC(=O)N3CCOCC3)c(C)c12 ZINC000220428224 FD Annotated Anodyne COCCNC(=O)CCc1c(C)c2cc(OC)c(O)c(C=O)c2oc1=O ZINC000220429600 FD Annotated Anodyne COc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O ZINC000220435647 FD Annotated Anodyne CNC(=S)NC[C@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000220644360 FD Annotated Anodyne CNC(=S)NC[C@@H]1CN(c2ccc(-c3nc(C)no3)c(F)c2)C(=O)O1 ZINC000220644435 FD Annotated Anodyne CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)CO3)n1 ZINC000220713096 FD Annotated Mild CC#Cc1cncc(-c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)CO3)n1 ZINC000220713165 FD Annotated Mild CO[C@]1(C)O[C@H]2CC(=O)C(I)=C[C@H]2O[C@@]1(C)OC ZINC000220964299 FD Annotated Mild CO[C@@]1(C)O[C@H]2CC(=O)C(I)=C[C@H]2O[C@@]1(C)OC ZINC000220964366 FD Annotated Mild N#Cc1ccc(Nc2nn([C@H]3CC[C@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221140741 FD Annotated Mild N#Cc1ccc(Nc2nn([C@H]3CC[C@@H](O)C[C@@H]3C#N)cc2C(N)=O)cc1 ZINC000221140868 FD Annotated Mild Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCCC3)n2)cn1 ZINC000221158191 FD Annotated Anodyne N#C[C@H]1C[C@@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 ZINC000221180906 FD Annotated Mild N#C[C@H]1C[C@H](O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)nc2)n1 ZINC000221181016 FD Annotated Mild COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(Cl)cc21 ZINC000221249834 FD Annotated Anodyne in-vitro C[C@H]1CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)C[C@@H](C)O1 ZINC000221256989 FD Annotated Anodyne C[C@H]1CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)C[C@H](C)O1 ZINC000221257064 FD Annotated Anodyne C[C@@H]1CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)C[C@@H](C)O1 ZINC000221257124 FD Annotated Anodyne Nc1ncc(-c2cc(N3[C@H]4CC[C@H]3COC4)nc(N3CC4CC3C4)n2)cn1 ZINC000221257332 FD Annotated Anodyne CC1(C)CN(c2cc(-c3cnc(N)nc3)nc(N3CC4CC3C4)n2)CCO1 ZINC000221269835 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC(F)CC3)n2)cn1 ZINC000221294530 FD Annotated Anodyne CC1(C)CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000221327114 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H](F)[C@H](F)C3)nc(N3CC4CC3C4)n2)cn1 ZINC000221375961 FD Annotated Anodyne COc1ncccc1B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O ZINC000221636496 FD Annotated Mild CCOc1ccc2cc(-c3nn(CC(C)(C)O)c(N)c3C(N)=O)cnc2c1 ZINC000221712045 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000221875785 FD Annotated Anodyne COc1ccc2[nH]nc(C(=O)NCC3CCN(CCC(=O)O)CC3)c2c1 ZINC000221887443 FD Annotated Anodyne NC(N)c1ccc(OCCSCCOc2ccc(C(N)N)cc2)cc1 ZINC000222323386 FD Annotated Anodyne COc1ncnc(Cn2cc(C(=O)NC[C@@H](C)O)c3ncc(C)cc32)c1C ZINC000223193481 FD Annotated Anodyne Nc1cccc(C(=O)N[C@@H](C(=O)NO)c2ccc(-n3cccn3)cc2)c1 ZINC000223256198 FD Annotated Bother in-vitro Nc1ccc(C(=O)N[C@@H](C(=O)NO)c2ccc(-n3cccn3)cc2)cc1 ZINC000223256432 FD Annotated Bother in-vitro NC(=O)CN1CC[C@@H](Nc2nc(-c3ccncc3)nc3ccsc23)C1 ZINC000223674262 FD Annotated Anodyne COc1ccc(C[C@]2(O)COc3cc(OC)c(O)c(O)c3C2=O)cc1O ZINC000223709687 FD Annotated Clean CC/C=C(C)/C=C/C/C(C)=C\[C@H](O)C(=O)NCC[C@H](O)CNC(C)=O ZINC000224119220 FD Annotated Anodyne Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)c(Cl)c3)c12 ZINC000224959143 FD Annotated Anodyne COc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCNCC3)=C(O)C2)cc1 ZINC000022587362 FD Annotated Mild C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCNCC2)c1O ZINC000022782461 FD Annotated Reactive Cc1cccc(CN2CCN(Cc3ccc4nonc4c3)C[C@@H]2CCO)n1 ZINC000022914697 FD Annotated Anodyne O[C@H]1CN(Cc2cnc(-c3ccc(Cl)cc3)nc2)C[C@@H]1N1CCOCC1 ZINC000022919490 FD Annotated Anodyne CC(C)CN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@@H]1CCO ZINC000022932530 FD Annotated Anodyne CC[C@@H](C)[C@H](CN[C@H](CNC)[C@@H](C)O)NCCc1ccc(OC)cc1 ZINC000022938833 FD Annotated Anodyne CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(CF)cc2)cc1 ZINC000225129713 FD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(CF)cc2)cc1 ZINC000225129754 FD Annotated Bother CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000225141253 FD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000225141288 FD Annotated Bother CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NC)cc2)cc1 ZINC000225148021 FD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(NC)cc2)cc1 ZINC000225148056 FD Annotated Bother CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000225150288 FD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000225150330 FD Annotated Bother CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000225150390 FD Annotated Bother CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000225150423 FD Annotated Bother C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@]2(O)C=CC[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O ZINC000225406685 FD Annotated Anodyne COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)O[C@@H]4C[C@@H]43)n2)cn1 ZINC000226075438 FD Annotated Anodyne NC1=N[C@@](c2cc(NC(=O)[C@@H]3CCOC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226079425 FD Annotated Anodyne COC[C@H](C)NC(=O)c1ccc(F)c([C@@]2(C(F)F)N=C(N)O[C@@H]3C[C@@H]32)c1 ZINC000226080276 FD Annotated Anodyne NC1=N[C@@](c2cc(NC(=O)C3CC(=O)C3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 ZINC000226081639 FD Annotated Anodyne COC[C@H](C)NC(=O)c1ccc(F)c([C@]2(C(F)F)N=C(N)O[C@H]3C[C@H]32)c1 ZINC000226109814 FD Annotated Anodyne CC(C)CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000226387234 FD Annotated Anodyne CC(C)CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3cccnc3)C[C@@]23C=C[C@H]1O3 ZINC000226387238 FD Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226393337 FD Annotated Mild C=CCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000226393343 FD Annotated Mild O=C(NC1CC1)[C@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@@]23C=C[C@H]1O3 ZINC000227270313 FD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@H]2C[C@]2(c4ccccc4N[C@H]32)[C@H]1O ZINC000229855653 FD Annotated Anodyne in-man Cc1cc(C)n(Cc2cc(C(=O)N(C)CCCN3CCOCC3)n[nH]2)n1 ZINC000023129139 FD Annotated Anodyne Cc1cc(N2CCC(Cn3cc(-c4ccccn4)nn3)CC2)nc(N)n1 ZINC000023129488 FD Annotated Anodyne COCc1cc(=O)[nH]c(-c2cccc(CN3CC(N4CCOCC4)C3)c2)n1 ZINC000023129742 FD Annotated Anodyne CN(CCc1ccccn1)[C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000023144994 FD Annotated Anodyne CN(CCc1ccccn1)[C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000023144998 FD Annotated Anodyne Cc1cc2nc(C(=O)N3CCC[C@@H](c4cc(=O)[nH]c(C)n4)C3)cc(C)n2n1 ZINC000023145290 FD Annotated Anodyne Cc1cc2nc(C(=O)N3CCC[C@H](c4cc(=O)[nH]c(C)n4)C3)cc(C)n2n1 ZINC000023145294 FD Annotated Anodyne CCCc1cc(=O)[nH]c(-c2cccc(CN3CCN(C)[C@@H](CCO)C3)c2)n1 ZINC000023145583 FD Annotated Anodyne CN(CCCCN1CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O ZINC000023153482 FD Annotated Anodyne CCOC(=O)C1CCC(NC[C@@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000023158923 FD Annotated Anodyne CCOC(=O)C1CCC(NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)CC1 ZINC000023158925 FD Annotated Anodyne OCc1cn(C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)nn1 ZINC000023191761 FD Annotated Anodyne Cn1nc(C(F)(F)F)c2cc(C(=O)NCCc3cc(=O)[nH]cn3)sc21 ZINC000023192805 FD Annotated Anodyne COCCOC1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1 ZINC000023214177 FD Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCC1)[C@@H]2O ZINC000023215027 FD Annotated Anodyne Cc1nc(CNC(=O)[C@H](C)N2C(=O)c3cccc4cccc2c34)cc(=O)[nH]1 ZINC000023231569 FD Annotated Anodyne Cc1nc(CNC(=O)[C@@H](C)N2C(=O)c3cccc4cccc2c34)cc(=O)[nH]1 ZINC000023231572 FD Annotated Anodyne CCCCN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1=O ZINC000023231749 FD Annotated Anodyne CN1C(=O)N(CC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C(=O)C12CCNCC2 ZINC000023231916 FD Annotated Anodyne CCCn1nc(C(=O)NCC(C)(C)N2CCOCC2)c2ccccc2c1=O ZINC000023243223 FD Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)c1C ZINC000023251104 FD Annotated Anodyne NCc1cn(CC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1 ZINC000023311069 FD Annotated Anodyne Cc1nccc(N2CCC(Cn3cc(CN4CCC[C@@H](O)C4)nn3)CC2)n1 ZINC000023311975 FD Annotated Anodyne Cc1nccc(N2CCC(Cn3cc(CN4CCC[C@H](O)C4)nn3)CC2)n1 ZINC000023311979 FD Annotated Anodyne Cc1cnc2c(Cl)c(C(=O)N3CCC[C@@H](c4cc(=O)[nH]cn4)C3)nn2c1 ZINC000023337613 FD Annotated Anodyne Cc1cnc2c(Cl)c(C(=O)N3CCC[C@H](c4cc(=O)[nH]cn4)C3)nn2c1 ZINC000023337615 FD Annotated Anodyne COc1ccc(Cc2n[nH]c3c2CN(C(=O)CN2CCOC2=O)CC3)cc1 ZINC000023338531 FD Annotated Anodyne O=C([C@@H]1CCCN(c2ccccn2)C1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023339378 FD Annotated Anodyne O=C([C@H]1CCCN(c2ccccn2)C1)N1CCC(c2cc(=O)[nH]cn2)CC1 ZINC000023339380 FD Annotated Anodyne NCC(=O)N1CCC[C@@H](Cn2cc(CN3CCC4(CCCC4)C3)nn2)C1 ZINC000023340231 FD Annotated Anodyne NCC(=O)N1CCC[C@H](Cn2cc(CN3CCC4(CCCC4)C3)nn2)C1 ZINC000023340233 FD Annotated Anodyne O[C@H]1CN(Cc2cccn2-c2ccc(Cl)cn2)C[C@@H]1N1CCOCC1 ZINC000023358099 FD Annotated Anodyne CCc1nn(C)c(NC(=O)Cn2cc(-c3ncc(F)c(NC)n3)cn2)c1C ZINC000023368581 FD Annotated Anodyne Cc1cc(N2CCC(n3cc(CN4CCC[C@@H]4CO)nn3)CC2)ccn1 ZINC000023368868 FD Annotated Anodyne CCN1CCN(CC(=O)N[C@@H]2CCCN(C3CCCCCC3)C2)CC1 ZINC000023373060 FD Annotated Anodyne CCN1CCN(CC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)CC1 ZINC000023373063 FD Annotated Anodyne NC(=O)c1ccc([C@@H]2CCCN2C(=O)c2cnc3ccccn3c2=O)s1 ZINC000023380269 FD Annotated Anodyne NC(=O)c1ccc([C@H]2CCCN2C(=O)c2cnc3ccccn3c2=O)s1 ZINC000023380271 FD Annotated Anodyne CSCCc1n[nH]c2c1CN(S(=O)(=O)c1c(C)nn(C)c1C)CC2 ZINC000023399053 FD Annotated Anodyne O=c1cc(C2CCNCC2)nc(-c2ccc(CN3CC[C@@H](O)C3)cc2)[nH]1 ZINC000023399486 FD Annotated Anodyne COc1ccc2nc(CCNc3nccc(-c4ncnn4C)n3)[nH]c2c1 ZINC000023399749 FD Annotated Anodyne Cc1nc([C@@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)cc(=O)[nH]1 ZINC000023431619 FD Annotated Anodyne Cc1nc([C@H]2CCCN(C(=O)c3scc4c3OCCO4)C2)cc(=O)[nH]1 ZINC000023431625 FD Annotated Anodyne Cc1nc(C2CCN(C(=O)c3scc4c3OCCO4)CC2)cc(=O)[nH]1 ZINC000023478167 FD Annotated Anodyne Cc1nc(S(=O)(=O)N2CCc3[nH]nc(CCC(C)C)c3C2)cn1C ZINC000023478710 FD Annotated Anodyne CCCCn1nnnc1NC(=O)N1CCN(c2nc(C)cnc2C)CC1 ZINC000023478723 FD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@H]32)[C@H]1O ZINC000230067619 FD Annotated Anodyne in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080824 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080831 FD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080837 FD Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080841 FD Annotated Mild in-man endogenous C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080847 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080853 FD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000230080855 FD Annotated Mild in-man CC(C)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@]24O ZINC000230081500 FD Annotated Mild in-man CC(C)C1=CC(=O)[C@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]42O ZINC000230081506 FD Annotated Mild in-man CC(C)C1=CC(=O)[C@@]2(C)C[C@]3(O)O[C@@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@]24O ZINC000230081510 FD Annotated Mild in-man CC(C)C1=CC(=O)[C@]2(C)C[C@]3(O)O[C@@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]42O ZINC000230081515 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230086779 FD Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230086783 FD Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230086786 FD Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000230086791 FD Annotated Mild in-man C[C@@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000230087281 FD Annotated Anodyne in-man C[C@]12C[C@@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000230087285 FD Annotated Anodyne in-man C[C@@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000230087291 FD Annotated Anodyne in-man C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@@H](C(=O)O)C[C@@H](O)C[C@@H]12 ZINC000230087296 FD Annotated Anodyne in-man CC1=C(C(C)C)C[C@@]2(O)[C@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O ZINC000230087829 FD Annotated Anodyne in-man CC1=C(C(C)C)C[C@]2(O)[C@]3(C)CC(=O)O[C@@]4([C@@H](O)[C@@H](C)CC[C@@]34O)[C@@]12O ZINC000230087833 FD Annotated Anodyne in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088187 FD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088191 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088195 FD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230088200 FD Annotated Mild in-man C=C1C[C@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230094201 FD Annotated Mild in-man C=C1C[C@@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230094205 FD Annotated Mild in-man C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000230094210 FD Annotated Mild in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@@H]1C ZINC000230103879 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@@H]1C ZINC000230103886 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@@H]1C ZINC000230103891 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@@H]1C ZINC000230103896 FD Annotated Anodyne in-man C=C1[C@@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230104196 FD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230104203 FD Annotated Mild in-man endogenous C=C1[C@@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230104209 FD Annotated Mild in-man C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000230104217 FD Annotated Mild in-man C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000230104568 FD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000230104574 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000230104580 FD Annotated Mild in-man C=C1C[C@]23C[C@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000230104587 FD Annotated Mild in-man COc1cncc([C@H](NC(=O)C2(Cn3ccnc3)CC2)C2CC(O)C2)c1 ZINC000230465745 FD Annotated Anodyne Cn1c(=O)oc2ccc(C(=O)N[C@H](C3CCNCC3)C3CC(O)C3)cc21 ZINC000230477891 FD Annotated Anodyne Nc1nc(=O)c2cc3[nH]c(NCCc4ccc(C(=O)O)cc4)nc3cc2[nH]1 ZINC000230498257 FD Annotated Anodyne in-vitro O=C(N[C@@H](Cc1ccccn1)C1CC(O)C1)c1cccc(-n2cnnc2)c1 ZINC000230504423 FD Annotated Anodyne CCn1c(C)cc(C)c(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)c1=O ZINC000230546764 FD Annotated Anodyne Cc1nc(N(C)C)ncc1C(=O)N[C@@H](Cc1ccccn1)C1CC(O)C1 ZINC000230556520 FD Annotated Anodyne O=C(CCn1nnc2ccccc21)N[C@@H](c1ccccn1)C1CC(O)C1 ZINC000230557160 FD Annotated Anodyne O=C(Cn1cnc2ccsc2c1=O)N[C@@H](c1ccccn1)C1CC(O)C1 ZINC000230598564 FD Annotated Anodyne O=C(CCN1CCOCC1)N[C@@H](c1ccc(F)cc1F)C1CC(O)C1 ZINC000230616785 FD Annotated Anodyne COc1cncc([C@H](NC(=O)Cc2cn3ccsc3n2)C2CC(O)C2)c1 ZINC000230617413 FD Annotated Anodyne Cc1cnc(N2CCC(Cn3cc(CN4CCCCC4)nn3)CC2)nc1N ZINC000023506161 FD Annotated Anodyne CCN1CCN(C2CCN(c3nccc(-c4cnn(C)c4)n3)CC2)CC1 ZINC000023541068 FD Annotated Anodyne Cc1cc(C)n2ncc(CN3CCC(n4cc(CCO)nn4)CC3)c2n1 ZINC000023542820 FD Annotated Anodyne O=C(c1cncc(N2CCC(c3cc(=O)[nH]cn3)CC2)n1)N1CCCCC1 ZINC000023543055 FD Annotated Anodyne CCNC(=O)N1CCC(n2cc(CN3CCC[C@@](C)(CO)C3)nn2)CC1 ZINC000023543630 FD Annotated Anodyne CCNC(=O)N1CCC(n2cc(CN3CCC[C@](C)(CO)C3)nn2)CC1 ZINC000023543634 FD Annotated Anodyne CSCCc1n[nH]c2c1CN(S(=O)(=O)c1cn(C)c(C)n1)CC2 ZINC000023543755 FD Annotated Anodyne C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1ncc(N2CCOCC2)cc1=O ZINC000023544152 FD Annotated Mild CN(C)[C@@H]1CCCN(Cc2ccccc2-c2nc3c(c(=O)[nH]2)CNCC3)C1 ZINC000023581548 FD Annotated Anodyne CN(C)[C@H]1CCCN(Cc2ccccc2-c2nc3c(c(=O)[nH]2)CNCC3)C1 ZINC000023581550 FD Annotated Anodyne O=C(c1ccc(N2CCC[C@@H](c3cc(=O)[nH]cn3)C2)nc1)N1CCOCC1 ZINC000023581913 FD Annotated Anodyne O=C(c1ccc(N2CCC[C@H](c3cc(=O)[nH]cn3)C2)nc1)N1CCOCC1 ZINC000023581915 FD Annotated Anodyne C[C@@H](C(=O)NCCc1cc(=O)[nH]cn1)N1C(=O)c2cccc3cccc1c23 ZINC000023582007 FD Annotated Anodyne C[C@H](C(=O)NCCc1cc(=O)[nH]cn1)N1C(=O)c2cccc3cccc1c23 ZINC000023582009 FD Annotated Anodyne O=C(NCCc1cc(=O)[nH]cn1)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000023582093 FD Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC3CCN(c4ccccc4)CC3)C2)cc1=O ZINC000023619458 FD Annotated Anodyne Cn1ncc(N2CC[C@H](CNC3CCN(c4ccccc4)CC3)C2)cc1=O ZINC000023619460 FD Annotated Anodyne Cc1cc(C)nc(N2CCC(Cn3cc(CN4CC[C@@H](O)C4)nn3)CC2)n1 ZINC000023619530 FD Annotated Anodyne Cc1cc(C)nc(N2CCC(Cn3cc(CN4CC[C@H](O)C4)nn3)CC2)n1 ZINC000023619533 FD Annotated Anodyne C/C=C(\C)C(=O)OC[C@](O)(COC(C)=O)c1cc(O)c(C)cc1OC ZINC000238730688 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@H](O[C@H](C)C[C@H]2CCCN2C)O[C@@H](C)[C@H]1O ZINC000238730702 FD Annotated Anodyne C[C@@]12CC[C@@H]3C(=C[C@@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@]5(O)OC4)[C@@H]1OC[C@H]2O ZINC000238730790 FD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@]2(O)C(=O)C(C)(C)[C@@H](O)C[C@H]12)C[C@@]3(C)O ZINC000238730939 FD Annotated Mild CCCC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1CC=CC(=O)O1 ZINC000238730963 FD Annotated Anodyne COCc1ccccc1O[C@H]1O[C@@H](COC)[C@H](OC)[C@@H](OC)[C@@H]1OC ZINC000238731106 FD Annotated Anodyne C/C=C1\C[C@H](C)[C@@H](OC(C)=O)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23 ZINC000238731261 FD Annotated Anodyne COC(=O)[C@@]1(c2cc3ccccc3[nH]2)COC[C@H]2O[C@@]23CN(C)CC[C@H]13 ZINC000238731573 FD Annotated Anodyne COC(=O)[C@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@]41CCN(CC[C@@H]2O)[C@@H]13 ZINC000238731888 FD Annotated Anodyne C=C1C(=O)O[C@@H]2CC(COC(=O)C(C)C)=C([C@@H](C)CCCO)[C@@H](O)[C@@H]12 ZINC000238731994 FD Annotated Mild COc1cccc2c1C(=O)c1cc3c(cc1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O ZINC000238732315 FD Annotated Clean COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC[C@H]4O[C@@H]1[C@@]4([C@@H](C)O)[C@H]23 ZINC000238732353 FD Annotated Anodyne C=C1C[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238732395 FD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3[C@H](O)[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 ZINC000238732416 FD Annotated Anodyne COc1cc([C@@H]2O[C@@H]3C(=CC(/C=C/CO)=C[C@@H]3OC)[C@@H]2CO)ccc1O ZINC000238732449 FD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(C)=O)C3=C(COC(C)=O)C(=O)O[C@@H]3[C@@H]12 ZINC000238732471 FD Annotated Mild O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)C[C@@H](O)C[C@H]34)[C@@H]2C1)c1ccc[nH]1 ZINC000238732588 FD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)[C@H](O)O[C@H](OCC)[C@@]3(C)C[C@H]12 ZINC000238732607 FD Annotated Mild C/C=C1/CN2CC[C@@]34[C@@H]5CCCC[C@H]5N[C@@H]3[C@](CO)(C(=O)OC)[C@H]1C[C@H]24 ZINC000238732747 FD Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@@H]4O[C@@H]4[C@@]([C@H](C)O)(C1)[C@@H]23 ZINC000238732788 FD Annotated Anodyne C[C@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CC[N+]3([O-])C[C@@H]1[C@@H]2C[C@@H]43 ZINC000238732846 FD Annotated Bother C=C1[C@@H](OC(C)=O)C[C@@H](O)[C@]2(C)CCC3=C(COC(C)=O)C(=O)O[C@@H]3[C@@H]12 ZINC000238732929 FD Annotated Mild C/C=C1\CN2CC[C@@]34c5ccccc5N[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](O)O2 ZINC000238732932 FD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1CC(=O)C2(C)C)C[C@@]3(C)O ZINC000238733028 FD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](O)C(=C)[C@H]21 ZINC000238733087 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(C)=O)[C@@H]1CCC(=O)[C@]12COC(C)=O ZINC000238733090 FD Annotated Mild CO[C@@H]1C2=C(C)C(=O)O[C@@]2(O)C[C@@]2(O)CC[C@H](OC(C)=O)[C@H](C)[C@@]12C ZINC000238733103 FD Annotated Anodyne CC(=O)OC[C@@]12COCC3=CO[C@H](OC(C)=O)[C@@H]4[C@H]3[C@@H]1[C@@H]2CC[C@]4(C)O ZINC000238733253 FD Annotated Anodyne C/C=C(/C)C(=O)OC[C@@]1(O)CC[N+]2(C)CC[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 ZINC000238733262 FD Annotated Bother CC(=O)OCC1=C2[C@@H](OC(C)=O)C(C)=C=CCC[C@@]3(C)O[C@H]3[C@H]2OC1=O ZINC000238733273 FD Annotated Anodyne CC1=C(C(C)C)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@H](C)CC[C@]34O)[C@@]12O ZINC000238733323 FD Annotated Anodyne COC(=O)[C@]12COC[C@H](c3c1[nH]c1ccccc31)[C@]1(O)CN(C)CC[C@H]21 ZINC000238733369 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)C[C@@H](O)C[C@H]34)[C@@H]2C1 ZINC000238733444 FD Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1CC=CC(=O)O1)C[C@@H](C[C@@H](C)OC(C)=O)OC(C)=O ZINC000238733566 FD Annotated Anodyne CC[C@H]1N[C@@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3C[C@]1(O)[C@H]2CO3 ZINC000238733700 FD Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@]1(C)CC[C@@H](O1)[C@](C)(O)CC[C@H]2O ZINC000238734162 FD Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@H](OC2=O)[C@@H](OC)[C@@H]2O[C@@]23CCN(C)[C@@H]13 ZINC000238734308 FD Annotated Anodyne C=C1C[C@H](OC(C)=O)C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O ZINC000238734471 FD Annotated Mild CC(=O)OC[C@@H]1[C@@H]2Nc3ccccc3[C@@]23CCN2C/C(=C\CO)[C@@H]1C[C@H]23 ZINC000238734483 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@@H](O)O2 ZINC000238734600 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CC(=O)[C@]3(C)O)[C@](C)(O)C[C@@H](OCC(C)C)[C@@H]12 ZINC000238734711 FD Annotated Mild C/C=C1/CO[C@@H](O)[C@]23C(=O)O[C@H](C[C@@H]12)[C@]12NCC[C@]31c1ccccc1N2C ZINC000238734833 FD Annotated Anodyne C=C[C@]1(CO)C[C@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O ZINC000238734930 FD Annotated Mild COC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@H]2CC[C@@]3(C)C[C@@]12CC3=O ZINC000238735051 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000238735076 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)C3=C[C@H](O)C[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000238735163 FD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000238735239 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CC[C@H](OC(=O)C(C)C)[C@@]21CO ZINC000238735242 FD Annotated Mild CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000238735291 FD Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@H](O)[C@H]1OC(C)(C)O[C@H]1[C@H]2OCc1ccccc1 ZINC000238735419 FD Annotated Anodyne CC(=O)N1C2=C3[C@H](O)OCC=C4CN5CC[C@@]2(c2ccccc21)[C@H]5C[C@H]43 ZINC000238735553 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(C)=O)[C@]1(O)CC[C@H](OC(C)=O)[C@@]21C ZINC000238735731 FD Annotated Mild O=c1c(CO)c(-c2ccc(O)c(CO)c2)oc2c(CO)c(O)cc(O)c12 ZINC000238735743 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@]2(C)O[C@@]13C(=C)C(=O)O[C@@H]3[C@H]1O[C@]1(C)CCC2=O ZINC000238735757 FD Annotated Mild C=Cc1oc2cccc(OC(C)=O)c2c(=O)c1C(C(=O)OC)C(=O)OC ZINC000238736090 FD Annotated Anodyne C=C[C@]1(COC(C)=O)C[C@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O ZINC000238736136 FD Annotated Reactive C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@H]1O ZINC000238736183 FD Annotated Mild CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C/1C)OC(=O)[C@@H]2C ZINC000238736204 FD Annotated Anodyne COC1=CC[C@]2(C1=O)[C@@H](Cl)C[C@@]13NCC[C@@]21CC(=O)C(OC)=C3OC ZINC000238736279 FD Annotated Reactive O=C1O[C@H](c2cc(O)c(O)c(O)c2)[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@@H]12 ZINC000238736289 FD Annotated Clean COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@H]4O[C@H]4[C@]([C@H](C)O)(C1)[C@@H]23 ZINC000238736294 FD Annotated Anodyne C[C@H]1O[C@]1(C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238736304 FD Annotated Mild C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@@](O)(CO)[C@H](O)C[C@H]12 ZINC000238736336 FD Annotated Mild C=C1C(=O)O[C@H]2C[C@]3(CO3)[C@@H]3C[C@@H](OC(=O)[C@H](C)CC)C(=C)[C@]3(O)C[C@H]12 ZINC000238736563 FD Annotated Mild COC(=O)C1=C2Nc3cc(O)ccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000238736604 FD Annotated Anodyne C=C1C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C(=O)[C@]36O)N1CCO[C@H]15 ZINC000238736623 FD Annotated Mild C=C(C(=O)O[C@@H]1C[C@]2(C)C(=C(C)CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21)[C@@H](C)O ZINC000238736635 FD Annotated Mild C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@]1(O)[C@@H]2CO3 ZINC000238736709 FD Annotated Anodyne CO[C@@H]1Oc2cc(-c3ccc4c(c3)O[C@@H](CO)[C@@H]4CO)ccc2[C@H]1CO ZINC000238736810 FD Annotated Anodyne CC[C@H]1[C@@H]2C[C@H]3C4=[N+](C)c5cc(OC)ccc5[C@]45C[C@@H]([C@H]2C5=O)N3[C@@H]1O ZINC000238736892 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[N+]2([O-])CC[C@@H](COC(=O)/C(=C\C)CO)[C@H]12 ZINC000238736920 FD Annotated Bother CC(=O)OC/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(C)=O)C1 ZINC000238736926 FD Annotated Anodyne CC(=O)OC[C@@]12COCC3=CO[C@H](OC(C)=O)[C@@H]4[C@H]3[C@@H]1[C@H]2CC[C@]4(C)O ZINC000238736946 FD Annotated Anodyne C/C=C1/CN2C[C@@]34c5ccccc5N[C@H]5O[C@]3(O)C[C@H]2C[C@H]1[C@]54C(=O)OC ZINC000238737739 FD Annotated Anodyne C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000238737751 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238737918 FD Annotated Mild C[C@H]1CCN2C[C@@]34C[C@]5(CC(=O)N(C)C5=O)C(C)(C)[C@@H]3C[C@@]12C(=O)N4C ZINC000238738064 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)CO[C@@H]3O ZINC000238738072 FD Annotated Mild O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@@]3(O)C[C@H]46 ZINC000238738159 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@@H](O)[C@]3(C)CC[C@H]21 ZINC000238738277 FD Annotated Anodyne C[C@@]1([C@H](O)CO)CC[C@@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238738290 FD Annotated Anodyne C[C@H]1/C(O)=C2/C(=O)N[C@@H](Cc3ccc(cc3)OC[C@@H]3O[C@H]3CC[C@@H]1O)C2=O ZINC000238738298 FD Annotated Mild C[C@H]1/C(O)=C2\C(=O)N[C@@H](Cc3ccc(cc3)OC[C@@H]3O[C@H]3CC[C@@H]1O)C2=O ZINC000238738309 FD Annotated Mild CC1(C)[C@@H](O)C(=O)C[C@]2(C)[C@@H]3C(=C[C@@](C)([C@H](O)CO)C[C@H]3O)CC[C@@H]12 ZINC000238738447 FD Annotated Anodyne C/C=C1\C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000238738455 FD Annotated Mild C=CC[C@@]12CC(=O)[C@H](O)[C@@](OC)([C@H]1O)[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000238738472 FD Annotated Mild C[C@]12CC[C@@]34COC(=O)[C@@H]3C=CC(=O)[C@@H]4[C@@]1(C)C[C@H](C1=CC(=O)O[C@@H]1O)O2 ZINC000238738483 FD Annotated Mild COC(=O)[C@@H]1[C@@H](O)[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238738498 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1 ZINC000238738525 FD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)/C(C)=C/C)C3=C(CO)C(=O)O[C@@H]3[C@H]12 ZINC000238738550 FD Annotated Mild C/C1=C/[C@]2(O)OC[C@H]3O[C@]32CC[C@](C)(O)/C=C/C[C@](C)(O)[C@@H](O)CC1 ZINC000238738643 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN4C/C(=C\CO)[C@H](C[C@H]42)[C@H](CO)[C@H]13 ZINC000238738655 FD Annotated Anodyne COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@H]2N[C@@H]1C[C@@H]1C(C=O)=C(C)OC[C@@H]12 ZINC000238738744 FD Annotated Reactive C=C1C[C@@]23C[C@@H]1CC[C@@H]2[C@]12COC(=O)[C@](C)([C@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)C2 ZINC000238738750 FD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238738932 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)[C@](C)(CO)[C@H]1C[C@H]3O ZINC000238739135 FD Annotated Mild CC(=O)O[C@H]1C[C@@H]2[C@H](/C=C(\C)[C@H](OC(C)=O)C[C@H]3O[C@@]13C)OC(=O)[C@@H]2C ZINC000238739157 FD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H](C)CC/C=C(/COC(C)=O)C[C@H](OC(=O)CO)[C@@H]12 ZINC000238739220 FD Annotated Mild CC(C)[C@]1(O)C=C2[C@H](O)[C@@H](O)[C@H]3C(C)(C)CCC[C@]3(C)[C@@]2(O)[C@H](O)C1 ZINC000238739260 FD Annotated Anodyne CC(=O)[C@]1(O)C=C(NC(=O)/C=C/C=C/C=C/C2CCCCC2)C(=O)C[C@H]1O ZINC000238739291 FD Annotated Mild C/C1=C\C[C@H](O)C(C)(C)C(=O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@H]12)[C@H]3O ZINC000238739295 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC/C(C)=C/[C@H]2OC(=O)C(CO)=C12 ZINC000238739311 FD Annotated Mild C[C@H]1C(=O)C[C@@H]2[C@H](CO)[C@H](O)[C@H](O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1 ZINC000238739345 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@H]3CC(=O)C[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000238739352 FD Annotated Anodyne C/C=C1\CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@@H]3OC[C@H]2[C@H]1[C@@H]3O ZINC000238739642 FD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(=O)C=C(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O ZINC000238739683 FD Annotated Mild CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H](CC[C@@](C)(O)[C@H]31)[C@@H](C)C(=O)O[C@@]2(C)/C=C/C=O ZINC000238739921 FD Annotated Reactive CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238740064 FD Annotated Reactive CO[C@@H]1C[C@H](C[C@@H]2COC(=O)[C@H]2C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC[C@H]1O ZINC000238740085 FD Annotated Anodyne CC(C)=CC(=O)O[C@H]1[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000238740224 FD Annotated Mild C=C1C[C@H](OC(C)=O)C2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)CC[C@@H]1O ZINC000238740393 FD Annotated Mild C=C1C(=O)O[C@H]2C[C@](O)(CCl)[C@@H]3C[C@H](OC(=O)CC)C(=C)[C@@]3(O)C[C@H]12 ZINC000238740444 FD Annotated Reactive C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(=O)/C(=C/C)CO)=C/[C@@H](O)[C@H]12 ZINC000238740576 FD Annotated Mild C=C[C@@]1(C)[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238740588 FD Annotated Mild CCC(=O)O[C@@H]1[C@H](OC(C)=O)C=C(C(=O)OC)C[C@H]1OC(=O)[C@H](C)CC ZINC000238740642 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238740794 FD Annotated Mild C[C@H]1[C@H](O)C[C@@]23COC(=O)[C@]2(O)C=CC[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000238740912 FD Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@@]1(O)C2=Nc2ccccc21)C3 ZINC000238740961 FD Annotated Anodyne COC1=CC[C@@]2(C1=O)[C@@H](Cl)C[C@@]13NCC[C@]12CC(=O)C(OC)=C3OC ZINC000238741014 FD Annotated Reactive C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@]5(O)OC4)[C@@H]1OC[C@H]2O ZINC000238741028 FD Annotated Anodyne C[C@@]1(C(=O)CO)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238741070 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)C=C[C@@](C)(O)[C@@H]21 ZINC000238741339 FD Annotated Anodyne C/C=C1/CN[C@@H]2C[C@H]1[C@@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238741424 FD Annotated Anodyne CC1(C)CCC[C@]2(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H]1[C@@]2(C)[C@@H](O)c2occc2[C@]1(C)O ZINC000238741425 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000238741469 FD Annotated Anodyne C[C@@H]1O[C@]1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@]3(C[C@H]2[C@]1(C)O)C[C@]3(C)O ZINC000238741483 FD Annotated Anodyne C[C@]12CC[C@@]34COC(=O)[C@@H]3C=CC(=O)[C@@H]4[C@@]1(C)C[C@@H](C1=C[C@H](O)OC1=O)O2 ZINC000238741531 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(C)=O)[C@@H]1CC[C@H](O)[C@]12COC(C)=O ZINC000238741560 FD Annotated Mild C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2 ZINC000238741675 FD Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@@H](O1)[C@](C)(O)CC[C@H]2O ZINC000238741963 FD Annotated Mild C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@]2(O)C=CC[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238742033 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H]2CC[C@@]3(CO3)[C@H](O2)[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000238742089 FD Annotated Reactive C[C@@H]1CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@]31C ZINC000238742169 FD Annotated Anodyne C[C@]12CC=C3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]1[C@H]1OC(=O)[C@]2(O)[C@@H]2O[C@H]12 ZINC000238742306 FD Annotated Anodyne C=C1C[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@@H]3O ZINC000238742480 FD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C)[C@H](OC(=O)C(C)C)[C@H](O)[C@]12O ZINC000238742561 FD Annotated Mild C/C=C1\CN[C@@H]2C[C@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238742636 FD Annotated Anodyne CON1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H]3[C@@H](CO1)[C@H]1[C@@H]2[C@]3([C@H](C)O)CN1C ZINC000238742692 FD Annotated Anodyne CC[C@H]1C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O ZINC000238742802 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000238742808 FD Annotated Mild C[C@]12CCC[C@]3(C)[C@@H]1[C@H](OC2=O)[C@H](O)[C@@]12C[C@@H](CC[C@@H]31)[C@](O)(CO)C2 ZINC000238742866 FD Annotated Anodyne CCC(=O)C1=C[C@H]2OC[C@@H]1[C@@H](NC=O)C[C@@]21C(=O)N(OC)c2ccccc21 ZINC000238742996 FD Annotated Mild COC(=O)[C@@]12C[C@@H]3C[C@@H](C(C)=O)[C@@H]1NCCc1c2n(c2ccccc12)[C@H]3O ZINC000238743001 FD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@@H]32)[C@@H]1O ZINC000238743240 FD Annotated Anodyne C[C@@]1([C@H](O)CO)CC[C@@H]2C(=C[C@@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000238743355 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(OO)C=C[C@@]3(OO)C(C)=C[C@H](OC(C)=O)[C@@H]12 ZINC000238743410 FD Annotated Reactive C=C1C(=O)O[C@@H]2C[C@@]3(C[C@H]12)C(COC(=O)/C(C)=C\C)=C[C@H](O)[C@@H](O)[C@@H]3C ZINC000238743632 FD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OCC(C)C)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23 ZINC000238743720 FD Annotated Reactive CO[C@]12CC[C@H](C)[C@@]3(C)[C@H](OC(C)=O)[C@@]4(O)[C@@H](C)C(=O)O[C@@]4(C[C@@H]13)O2 ZINC000238743904 FD Annotated Anodyne CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@H]2O)OCO4)OCO3 ZINC000238743905 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15C[C@H]2O)[C@@H]43 ZINC000238744019 FD Annotated Anodyne CC1=CCC[C@H]2[C@]1(C)C(=O)[C@@H](O)[C@H](C)[C@@]2(C)C[C@H]1O[C@@H](O)[C@H](O)[C@]12CO2 ZINC000238744030 FD Annotated Anodyne CCC(=O)O[C@H]1C[C@@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238744112 FD Annotated Reactive C/C=C1/CN[C@@H]2C[C@@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238744169 FD Annotated Anodyne CC(=O)C[C@@H]1CC(=O)O[C@@H](C)C/C=C/C(=O)O[C@H](C)[C@@H](O)/C=C/C(=O)O1 ZINC000238744207 FD Annotated Anodyne C=C(C)C(=O)OC[C@]1(O)CC[C@@H](O)[C@]2(C)CC[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000238744241 FD Annotated Mild COC(=O)/C(C)=C/C(=O)O[C@H]1C[C@H]2[C@H](OC(=O)C=C(C)C)C[C@@H](C1)N2C ZINC000238744298 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H](O)C=C[C@](C)(O)[C@@H]21 ZINC000238744410 FD Annotated Anodyne COC(=O)c1cc(O)c(O)c(Oc2c(C(=O)OC)cc(O)c(O)c2O)c1 ZINC000238744568 FD Annotated Clean CC[C@H]1C[C@@H](C)[C@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H](O)[C@@H](OC)[C@@H]1O ZINC000238744613 FD Annotated Anodyne CC1=CCC[C@@H]2[C@](C)(C[C@H](O)[C@@]3(C(=O)C=O)CO3)[C@@H](C)[C@H](O)C(=O)[C@@]12C ZINC000238744624 FD Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15O)[C@H]43)[C@H](C)O2 ZINC000238744702 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238744837 FD Annotated Anodyne C=C[C@@]1(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238744975 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CCC[C@](C)(CC=O)[C@H]1C[C@H]3O ZINC000238745168 FD Annotated Mild COC(=O)[C@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@]41CCN(C[C@@H]4O[C@@H]42)[C@@H]13 ZINC000238745210 FD Annotated Anodyne C=C[C@@]1(C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238745268 FD Annotated Mild CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1[C@H](O)[C@@H]2O)OCO3 ZINC000238745446 FD Annotated Anodyne C[C@H]1CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]12CC[C@@](CO)(CCO)O2 ZINC000238745564 FD Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C[C@@H](O)[C@H]1O)[C@@H]24 ZINC000238745647 FD Annotated Anodyne C[C@H]1CC[C@]23[C@@H](C[C@H](O)[C@@H]4O[C@@]42CO[C@H]3O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238745650 FD Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C/C[C@@H](OC(C)=O)[C@]2(C)O[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]12 ZINC000238745709 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000238745839 FD Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000238745929 FD Annotated Anodyne C[C@H]1C=C[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[C@@H]1C(=O)N2CC[C@@H]3C(=O)O[C@H]1[C@@]32O ZINC000238746057 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C(=C)[C@H]21 ZINC000238746112 FD Annotated Mild C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(=O)CC(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O ZINC000238746160 FD Annotated Mild C=C1CC[C@H](OC(=O)CC(C)C)[C@]2(C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@]12O ZINC000238746234 FD Annotated Mild O=C1C(O)=C(c2ccc(O)cc2)C(=O)C2=C1c1ccc(O)cc1[C@@]2(O)CO ZINC000238746254 FD Annotated Mild C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@@]13COC(=O)[C@@H]1[C@H]1O[C@H]1C[C@@]32O ZINC000238746310 FD Annotated Anodyne C[C@]1(C(=O)O)C[C@@H](O)C[C@]2(C)[C@H]3CC[C@@](C)([C@H](O)CO)C=C3[C@H](O)C[C@@H]12 ZINC000238746416 FD Annotated Anodyne C=C1[C@H]2C[C@@]3(CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2O)[C@@H]1O ZINC000238746456 FD Annotated Mild C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@@H](O)C=C[C@](C)(O)[C@H]21 ZINC000238746597 FD Annotated Anodyne C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(CO)CC[C@@H](O)[C@]3(C)[C@@]2(O)C(=O)C1 ZINC000238746599 FD Annotated Mild C/C=C(\C)COC[C@H]1O[C@@H](OCCC(C)C)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O ZINC000238746605 FD Annotated Anodyne C/C1=C\C(=O)O[C@@H]2CC[N+]3([O-])CC[C@H](COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000238746616 FD Annotated Bother O=C1CCc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2CCC(=O)O3)O1 ZINC000238746760 FD Annotated Clean COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@@H]2CC[C@H]1O ZINC000238746778 FD Annotated Anodyne CO[C@H]1c2cc(Cl)c(O)cc2O[C@@]12C(=O)N[C@@H]1SSN2C1=O ZINC000238746799 FD Annotated Reactive COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC[C@@H]4O[C@@H](O)C[C@]4(C1)[C@H]23 ZINC000238746903 FD Annotated Anodyne COc1cc(CO)c(OC)c2c1C(=O)c1c(cc(O)c(OC)c1O)C2=O ZINC000238746910 FD Annotated Clean CC(=O)OC[C@]12CC[C@@H]3[C@H](/C=C(\C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]1O2)C3(C)C ZINC000238746962 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCO[C@@]2(O)C[C@H]2[C@H](C=O)[C@@H](C)OC[C@H]2[C@H]13 ZINC000238747158 FD Annotated Mild CC[C@]1(O)CN[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@@H]1[C@@H]2CO3 ZINC000238747168 FD Annotated Anodyne C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)/C=C(\C)CO)C[C@@H]12 ZINC000238747264 FD Annotated Mild CC(=O)O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)OC(=O)C=CC1(C)C ZINC000238747368 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CCC[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12 ZINC000238747669 FD Annotated Mild C[C@H]1CCC[C@]2(C)O[C@H]2CC[C@](C)(O)[C@H]2CC3=C(CO)C(=O)O[C@@H]3[C@@H]1O2 ZINC000238747851 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H]2C[C@@H](OC(=O)/C=C(/C)C(=O)OC)C[C@@H]1N2C ZINC000238747867 FD Annotated Anodyne CC(=O)OCC1=CO[C@@H](OC(C)=O)[C@H]2C(C=O)=CC(=O)[C@H]3[C@@H]([C@@H]12)C3(C)C ZINC000238748014 FD Annotated Reactive CCOc1c(C)ccc2c1N[C@H](O)[C@@H]1CC(/C=C/C(=O)NC)=CN1C2=O ZINC000238748166 FD Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](C2)OC1=O ZINC000238748206 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C=C[C@@]3(C)OO4)[C@](C)(O)C[C@H](OC(=O)CC)[C@@H]12 ZINC000238748278 FD Annotated Reactive COC1(OC)C(Br)=CC(O)(NC(C)=O)C=C1Br ZINC000238748330 FD Annotated Anodyne CC(C)=C1C[C@H]2[C@](C)(O)[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)CC[C@]2(C)CC1=O ZINC000238748436 FD Annotated Mild OC[C@@H]1c2ccc(-c3ccc4c(c3)O[C@@H](CO)[C@@H]4CO)cc2O[C@H]1CO ZINC000238748513 FD Annotated Anodyne C=C(C)[C@@H]1C[C@@H]2O[C@@](O)([C@@H](C)CC(=O)/C=C(/C)C[C@H]3C=C2C(=O)O3)[C@H]1O ZINC000238748534 FD Annotated Mild CC(=O)O[C@@H]1C/C(C)=C/[C@H](O)C/C(C)=C/[C@H]2OC(=O)[C@](O)(CCl)[C@@H]21 ZINC000238748568 FD Annotated Reactive COC1=C[C@@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(CO)c42)C3=CC1=O ZINC000238748627 FD Annotated Mild C[C@H](CCCC1=CC[C@H](C(C)(C)O)CC1)CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000238748661 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)[C@H](OC(=O)C(C)C)C[C@H]1O ZINC000238748774 FD Annotated Mild C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238748949 FD Annotated Mild CC(=O)O[C@H]1CC[C@@H]2N3CC[C@@]2(c2cc4c(cc2C3)OCO4)[C@H]1OC(C)=O ZINC000238748969 FD Annotated Anodyne Cn1cc(Br)cc1C(=O)OCC[n+]1cccc(C(=O)O)c1 ZINC000238749041 FD Annotated Anodyne C=C1C[C@@H](O)[C@@H]2[C@@H](C(=O)OC[C@]23CCC[C@@]2(C)CO[C@@H](OC)[C@H]23)C1=O ZINC000238749101 FD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2[C@@H]3C[C@H](CN2C(=O)[C@H]1O)[C@@H]1CCCCN1C3 ZINC000238749281 FD Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H](C[C@H]2O)[C@]24CCCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC4)[C@@H]1O ZINC000238749365 FD Annotated Mild C[C@@H]1C[C@@H]2OC(=O)[C@@H](CN3CCCCC3)[C@H]2C[C@@]2(C)[C@H]1[C@@H](O)C[C@H]2O ZINC000238749366 FD Annotated Anodyne CC(=O)OC[C@H]1[C@@H]2Nc3ccccc3[C@@]23CCN2C/C(=C\CO)[C@@H]1C[C@H]23 ZINC000238749491 FD Annotated Anodyne CC(C)(O)[C@]1(O)C=C2C(=O)C[C@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2C[C@@H]1O ZINC000238749535 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)C[C@@H](OC(=O)C3=C[C@H](O)OC3)[C@@H]12 ZINC000238749549 FD Annotated Mild C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@@H]2O[C@@H](O)[C@@H]4C(C)(C)CC[C@H](O)[C@@]234)[C@@H]1O ZINC000238749602 FD Annotated Mild C=C1[C@@H]2C[C@@H]3O[C@H](O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1O ZINC000238749608 FD Annotated Mild COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@H]3O)[C@@H]4[C@]51c1ccccc1N2 ZINC000238749890 FD Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)CC[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000238749896 FD Annotated Anodyne C[C@@]12[C@H](O)[C@@H](c3ccoc3)OC(=O)[C@H]1[C@H](O)C[C@]13COC(=O)C1=CCC[C@@H]23 ZINC000238749926 FD Annotated Anodyne C=C1CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2[C@H]1CC[C@@]2(C)O ZINC000238749931 FD Annotated Mild C=C(CO)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(COC(C)=O)=C2[C@@H]1OC(C)=O ZINC000238749951 FD Annotated Mild C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(COC(C)=O)=C2[C@@H]1O ZINC000238749969 FD Annotated Mild C=C(COC(C)=O)[C@@H]1CC[C@@H](C)[C@H]2CC(=O)C(CO)=C2[C@@H]1OC(C)=O ZINC000238749981 FD Annotated Mild COC(=O)[C@@]1(O)C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@@H]43 ZINC000238750182 FD Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]23C[C@@](C)(O)C=CC[C@@H]2[C@]1(CC/C(=C\CO)CO)CO3 ZINC000238750316 FD Annotated Anodyne CON1C(=O)[C@]2(c3ccccc31)[C@H]1[C@H]3[C@H]4CO[C@@H]2C[C@H]4[C@]1([C@H](C)O)CN3C ZINC000238750320 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C(\C)C(=O)OC)C[C@H]1N2C ZINC000238750365 FD Annotated Anodyne C#C/C=C\C[C@H]1O[C@@H]([C@H](CC)OC(C)=O)C[C@H](O)[C@H](O)C[C@H]1OC(C)=O ZINC000238750384 FD Annotated Mild C=C1CC[C@H](C(C)C)[C@H]2[C@@H]3O[C@@H]([C@H](O)[C@](C)(O)[C@@H](O)CC[C@@]3(C)O)[C@@H]12 ZINC000238750413 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)C(C)C)[C@]1(O)CCC(=O)[C@@]21C ZINC000238750615 FD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@@]2(C)O[C@@]13C(=C)C(=O)OC3=C[C@@]1(C)CC[C@]2(O)O1 ZINC000238750628 FD Annotated Mild C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@H]21 ZINC000238750882 FD Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(C)O[C@H]3[C@H]3[C@@H](O)[C@](C)(O)C[C@]3(O)C1=O)C2(C)C ZINC000238750943 FD Annotated Mild C[C@@H]1CC(=O)[C@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)C(=O)[C@H]2[C@]31C ZINC000238750975 FD Annotated Anodyne C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(C)=O)C[C@@H]1O ZINC000238751034 FD Annotated Mild C=C[C@]12CCN3Cc4c([nH]c5ccccc45)[C@](C(=O)OC)(CO1)[C@@]2(O)C3 ZINC000238751104 FD Annotated Mild C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](O)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000238751140 FD Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1[C@]3(C)CCC[C@]21CO[C@H]3O ZINC000238751185 FD Annotated Mild C[C@H]1O[C@@]2(C)C(=O)OCC3=CCN4CC[C@@H](OC(=O)[C@H](C)[C@@]2(C)O1)[C@@H]34 ZINC000238751194 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000238751225 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)[C@H]1O)[C@@H]1CCCCN1C3 ZINC000238751359 FD Annotated Anodyne CC[C@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1c(O)cccc1C3=O ZINC000238751424 FD Annotated Clean OC[C@H]1O[C@H](c2ccccc2)O[C@@H]1[C@H]1O[C@@H](c2ccccc2)O[C@@H]1CO ZINC000238751426 FD Annotated Anodyne C=C1CC[C@H]2C(CO)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1CCC1=CCOC1=O ZINC000238751444 FD Annotated Mild C/C=C1\CN2CC[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@]4(CO)C(=O)OC ZINC000238751458 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC[N+]2([O-])CC[C@H](COC(=O)/C(=C\C)CO)[C@H]12 ZINC000238751475 FD Annotated Bother COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@@](C)(CCC(=O)O)OC3=O ZINC000238751545 FD Annotated Anodyne CC(=O)OCC1=C2C/C=C(/C)[C@H](O)C[C@H](OC(C)=O)/C(C)=C/[C@@H]2OC1=O ZINC000238751643 FD Annotated Anodyne COc1cc(O)c2c(c1O)C(=O)C1=C(C2=O)[C@@H](OC)C[C@H](CC(C)=O)O1 ZINC000238751755 FD Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)[C@@H](O)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000238751802 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@H]2CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@]12O ZINC000238751889 FD Annotated Mild O=C1O/C(=C(/C(=O)O)c2ccc(O)c(O)c2)C=C1c1ccc(O)c(O)c1 ZINC000238752059 FD Annotated Clean COC(=O)[C@@]12C[C@H]3C[C@H]([C@@H](O)CO)[C@@H]1N(CCc1c2[nH]c2ccccc12)C3 ZINC000238752098 FD Annotated Anodyne OC[C@@]1(O)O[C@H]2[C@H](c3ccccc3)O[C@H]2[C@@H]2O[C@H](c3ccccc3)O[C@@H]21 ZINC000238752236 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(CO)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000238752446 FD Annotated Mild C[C@H]1O[C@H](O)[C@]23CC(=O)N4c5ccccc5[C@@]5(CCN6C[C@@H]1[C@@H]2C[C@H]65)[C@H]43 ZINC000238752477 FD Annotated Anodyne COc1cc(O)c2c(c1)O[C@@H]1[C@@H](C2=O)c2cc(OC)c(OC)cc2O[C@H]1O ZINC000238752617 FD Annotated Anodyne C[C@]12CC[C@@]34COC(=O)[C@@H]3C=CC(=O)[C@@H]4[C@@]1(C)C[C@H](C1=C[C@@H](O)OC1=O)O2 ZINC000238752765 FD Annotated Mild C/C=C1\CN2CC[C@H]1[C@@]1(C(=O)OC)C(=O)[C@@]3(C[C@@H]21)c1ccccc1N[C@@H]3O ZINC000238752799 FD Annotated Anodyne C=C[C@@]1(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238752850 FD Annotated Mild C=C1[C@@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54C=O)[C@@H]1O ZINC000238753144 FD Annotated Mild CCC[C@H]1OC[C@H](OC(C)=O)[C@@H]([C@](C)(OC(C)=O)[C@H](C)OC(C)=O)O1 ZINC000238753244 FD Annotated Anodyne CO[C@H]1[CH][C@H]2C[C@@H]3[C@@H]4[C@@H]([CH][C@H]5OCO[C@H]5[C@H]4[C@H]2[CH][C@@H]1OC)CCN3C=O ZINC000238753313 FD Annotated Anodyne COC(=O)C1=C2N[C@@H]3C(OC)=CC=C[C@@H]3[C@]23CCN2C[C@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000238753417 FD Annotated Anodyne C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)/C(=C/O)C(=O)O ZINC000238753473 FD Annotated Reactive CC(=O)O[C@H]1C(C)=C[C@H]2C(=C(C)C)C(=O)[C@@H](O)[C@H](C)[C@H]2[C@H]1OC(C)=O ZINC000238753498 FD Annotated Mild C=C(CO)C(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)[C@H](O)CC[C@H](C)[C@@]12C ZINC000238753519 FD Annotated Mild CC(=O)OCC1=C2C/C=C(/C)[C@@H](O)C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000238753520 FD Annotated Anodyne C=C[C@]12C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1C(=C)C(=O)O[C@@H]1[C@H]2C(=C)C=O ZINC000238753598 FD Annotated Reactive CC1=C(Cl)C(=O)[C@]2(C)C1=CC(=O)[C@]1(C)[C@@H]3C(=O)O[C@@H]([C@H]3C)[C@@H](O)[C@@H]21 ZINC000238753790 FD Annotated Mild C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)CO[C@H]1O ZINC000238753820 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(COC(C)=O)=C/CC/C(CO)=C/[C@@H](OC(C)=O)[C@H]12 ZINC000238753831 FD Annotated Mild C/C=C1\CN2CC[C@]34c5ccccc5N[C@]23[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC ZINC000238753856 FD Annotated Anodyne CC1=C2[C@@H](O)[C@H](O)[C@]3(C)CC[C@H](O3)[C@H](C)CC/C=C(\C)C[C@]2(O)OC1=O ZINC000238753981 FD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C/C(C)=C/CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O ZINC000238754140 FD Annotated Anodyne C[C@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000238754356 FD Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)[C@H](O)OC[C@@H]([C@@H]1C[C@@H]23)[C@@H]54 ZINC000238754502 FD Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4CC[C@@]5(c6ccccc6N[C@@]15O)[C@H]43)[C@@H](C)O2 ZINC000238754706 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@H]2[C@H](C)C[C@@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]21C ZINC000238754847 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CCC(=O)[C@@]21COC(=O)C(C)C ZINC000238755034 FD Annotated Mild COC(=O)[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]14CCN3C[C@]21O[C@@H]1C ZINC000238755094 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@H]([C@@H](C)O)[C@H]1C[C@H]23 ZINC000238755415 FD Annotated Anodyne COC1=C(C)C(=O)O/C1=C1/O[C@@]2(CCCO)O[C@@H]3CCCN[C@@H]3[C@H]2[C@@H]1C ZINC000238755569 FD Annotated Anodyne CON1C(=O)[C@]2(c3ccccc31)[C@@H]1C[C@H]3[C@@H](CO1)[C@H]1[C@@H]2[C@]3([C@@H](C)O)CN1C ZINC000238755585 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CC[C@H](OC(C)=O)[C@@]21COC(C)=O ZINC000238755588 FD Annotated Mild COC1(OC)C(Br)=C[C@@]2(O)CC(=O)O[C@H]2[C@H]1Br ZINC000238755744 FD Annotated Reactive COC1(OC)C(Br)=C[C@@]2(O)CC(=O)O[C@H]2[C@@H]1Br ZINC000238755758 FD Annotated Reactive CC1(C)CC[C@@H](O)[C@@]2(C)C3=C(C(=O)[C@@](C)([C@H](O)CO)CC3)[C@@H](O)C[C@H]12 ZINC000238755768 FD Annotated Mild COC1(OC)C(Br)=C[C@@](O)(CC#N)[C@@H](O)[C@@H]1Br ZINC000238755773 FD Annotated Reactive CC(=O)O[C@@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]1(C)OC(=O)CCC1(C)C ZINC000238755779 FD Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1[C@H](O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000238755925 FD Annotated Anodyne COC1=C(Br)[C@H](O)[C@](O)(CC(=O)O)C=C1Br ZINC000238755941 FD Annotated Anodyne Cn1cc(Br)cc1C(=O)NCC[n+]1cccc(C(=O)O)c1 ZINC000238756038 FD Annotated Anodyne C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H](C/C=C3\C(=O)OC[C@@H]3O)[C@]3(CC[C@@H]12)CO3 ZINC000238756243 FD Annotated Anodyne CC(C)=CC(=O)O[C@@]1(C)C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@@H](O)C=C[C@](C)(O)[C@H]21 ZINC000238756251 FD Annotated Anodyne C[N+]12CC[C@]34c5ccccc5N5C(=O)C[C@@H]6OCC=C(C1)[C@@H](C[C@]32O)[C@@H]6[C@@H]54 ZINC000238756430 FD Annotated Bother CC1(C)[C@H]2O[C@H]2[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4C[C@@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000238756507 FD Annotated Anodyne C=C[C@]12C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H]1C(=C)C(=O)O[C@@H]1[C@H]2C(=C)C=O ZINC000238756520 FD Annotated Reactive C[C@@]1(O)c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](O)[C@H]1[C@](C)(C(=O)O)CCC[C@]21C ZINC000238756567 FD Annotated Anodyne C=C1C[C@@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12 ZINC000238756582 FD Annotated Mild COC(=O)[C@@H]1[C@H]2C[C@@H]3N(CC[C@@]34Nc3ccccc3C4=O)C[C@@H]2CC[C@H]1O ZINC000238756871 FD Annotated Anodyne C/C=C(/C=O)[C@@H](CC(=O)OCCc1ccc(O)c(O)c1)/C(=C\O)C(=O)O ZINC000238756905 FD Annotated Reactive CO[C@@]12[C@@H]3CC(=O)N4c5ccccc5[C@@]5(CCN6CC(=CCO3)[C@@H]1C[C@H]65)[C@@H]42 ZINC000238756949 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@@H](O)[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000238756983 FD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)/C=C(/C)[C@@H](O)CC/C(C)=C/[C@H]2OC1=O ZINC000238757117 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@@H](O)[C@@H]1[C@H]2O)C(=C)[C@@H](C(C)(C)CCCO)C[C@H]3O ZINC000238757387 FD Annotated Mild C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@@H]3O ZINC000238757419 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12)C[C@H](O)[C@@]3(C)O ZINC000238757573 FD Annotated Mild C/C=C1\CN(C)[C@@H]2[C@H]3CO[C@H](C[C@@H]13)[C@]1(C(=O)N(OC)c3ccccc31)[C@H]2O ZINC000238757601 FD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@H]2[C@]3(C)CCC[C@@]2(COC3=O)[C@@]12CC[C@]1(CCOC1=O)O2 ZINC000238757635 FD Annotated Anodyne C/C=C1/CN[C@@H]2C[C@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000238757681 FD Annotated Anodyne C/C=C1/CN(C)[C@H]2C[C@@]3(C(=O)N(OC)c4ccccc43)[C@H]3C[C@]1(O)[C@@H]2CO3 ZINC000238757861 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CNCC[C@@]45C(=O)C[C@@H]3[C@@H]2[C@@H]4N1c1c(O)cccc15 ZINC000238757922 FD Annotated Anodyne C=C[C@]1(C)[C@@H](O)[C@H](OC(=O)/C(C)=C\C)[C@@]2(O)C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C ZINC000238758206 FD Annotated Mild C=C1C[C@H](CC)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O ZINC000238758231 FD Annotated Mild CC(=O)OCC1=C2/C(=C\[C@](C)(O)CCC=C=C(C)[C@@H]2OC(C)=O)OC1=O ZINC000238758316 FD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)[C@@H](O)C[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1 ZINC000238758319 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CC[C@H](O)[C@@]21COC(=O)C(C)C ZINC000238758410 FD Annotated Mild CO[C@@H](c1ccccc1)[C@@H]1C(=O)N[C@@H]([C@H](O)c2ccccc2)C(=O)N1C ZINC000238758629 FD Annotated Anodyne CC[C@H]1C[C@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@H]1O ZINC000238758637 FD Annotated Anodyne C[C@H](O)CC(=O)O[C@H]1C=C[C@@]23CCN(C)Cc4ccc(O)c(c42)O[C@H]3C1 ZINC000238758722 FD Annotated Anodyne C[C@H]1C(=O)[C@@H](O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@H]3C[C@H]3OC(=O)C[C@@H]1[C@@]23C ZINC000238758838 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H](O)[C@@]3(C)CC[C@H]3[C@@]3(C)C[C@H](OC(=O)C(C)C)[C@@]12O3 ZINC000238758874 FD Annotated Mild C[C@@H]1C[C@H](O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@]31C ZINC000238758930 FD Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H]2[C@](O)(CCl)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@]12O ZINC000238758940 FD Annotated Reactive C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@H]2OC3=O ZINC000238758946 FD Annotated Mild C/C=C1/CN2CC[C@H]1[C@]1(C(=O)OC)C(=O)[C@]3(C[C@H]21)c1ccccc1N[C@@H]3O ZINC000238759131 FD Annotated Anodyne CC[C@H]1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000238759185 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(C)O[C@@]13C(=C)C(=O)O[C@@H]3[C@@H]1O[C@]1(C)CCC2=O ZINC000238759329 FD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238759431 FD Annotated Mild COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CC[N+]2(C)C[C@H]([C@H](C)O)[C@H]1C[C@@H]32 ZINC000238759461 FD Annotated Bother C=C1C(=O)O[C@H]2C[C@@H](C)CC/C=C(\COC(C)=O)C[C@H](OC(=O)CO)[C@@H]12 ZINC000238759508 FD Annotated Mild C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@H](O)[C@@H]1C ZINC000238759565 FD Annotated Anodyne C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H](O)CO)CO1 ZINC000238759621 FD Annotated Reactive C/C=C(/C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1 ZINC000238759624 FD Annotated Anodyne C=C[C@@]1(C)C=C2C(=O)[C@]3(O)OC(=O)[C@]4(CC[C@@H]5C[C@@H]5[C@]43C)[C@]2(O)C(=O)C1 ZINC000238759677 FD Annotated Mild C=C1[C@H](O)CC/C(CO)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O ZINC000238759685 FD Annotated Mild C/C=C1/C[N+]2([O-])CC[C@@H]1[C@@](CO)(C(=O)CO)c1[nH]c3ccccc3c1C2 ZINC000238759795 FD Annotated Bother COC(=O)c1c(C)c2c(c(OC)c1O)C(=O)c1ccc(OC)c(O)c1C2=O ZINC000238759802 FD Annotated Clean C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@@]21C ZINC000238759873 FD Annotated Mild COC(=O)[C@@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@@]41CCN(C[C@@H]4O[C@@H]42)[C@H]31 ZINC000238759893 FD Annotated Anodyne CC(=O)O[C@@]1(C)C[C@H](O)[C@@H]2[C@@H](OC(=O)[C@@]2(C)OC(C)=O)[C@@H]2C(C)=CC[C@@H]21 ZINC000238760058 FD Annotated Anodyne COC(=O)[C@]12C[C@@]3(C=CCN4C[C@H](O)[C@@]5(c6ccccc6N[C@@H]15)[C@@H]43)[C@@H](C)O2 ZINC000238760191 FD Annotated Anodyne O=C1c2c(O)cc(O)cc2C(c2cc(O)cc(=O)o2)c2cc(O)cc(O)c21 ZINC000238760226 FD Annotated Anodyne CC(=O)O[C@@H](C)[C@@H](OC(C)=O)[C@@H](C/C=C/[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000238760421 FD Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OCCO)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000238760439 FD Annotated Anodyne C=C1[C@H]2C[C@@H](OC(C)=O)[C@H](COC(C)=O)[C@H]2[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1O ZINC000238760771 FD Annotated Mild CC(=O)OC[C@H]1[C@@H]2Nc3ccccc3[C@@]23CCN2C/C(=C/CO)[C@@H]1C[C@H]23 ZINC000238760852 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12COC(=O)[C@@](C)(C[C@@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000238760963 FD Annotated Mild CC(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]23C=C[C@@](C)(OO2)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238760991 FD Annotated Reactive C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC[C@]23CO3)[C@@]1(C)C[C@H](O)C1=CC(=O)OC1 ZINC000238760995 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@H](CN3CCCCC3)[C@H]2C[C@@]2(C)[C@H]1[C@@H](O)C[C@H]2O ZINC000238761072 FD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000238761282 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O ZINC000238761337 FD Annotated Mild C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](C2)OC1=O ZINC000238761352 FD Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000238761469 FD Annotated Mild C=C1[C@@H]2[C@H](O)[C@@H](OC=O)C3=C(C(=O)[C@H](O)[C@@]4(C[C@H]4C)C3=O)[C@@]2(C)CC[C@H]1C ZINC000238761527 FD Annotated Mild C[C@@H]1O[C@]1(C)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O ZINC000238761567 FD Annotated Mild C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4([O-])CC=C(COC(=O)[C@@]1(C)O2)[C@H]34 ZINC000238761623 FD Annotated Bother COc1ccc2c(c1)N(C)C(=O)[C@]21C[C@@H]2N[C@H]1C[C@H]1C(C(C)=O)=COC[C@@H]21 ZINC000238761642 FD Annotated Mild COc1cc2c3c(c1OC)O[C@@H]1[C@@H](OC)[C@@H](O)C=C4[C@H](CC2)N(C)CC[C@@]431 ZINC000238761703 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7cccc(O)c7N1[C@H]5[C@H]2[C@H]3C[C@]46O ZINC000238761760 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@@]23[C@@H](O)C[C@@H]1[C@@H]4C(=O)OC ZINC000238761775 FD Annotated Anodyne C=C1C(=O)O[C@H]2/C=C(\CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000238761957 FD Annotated Mild CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN(C(=O)[C@H]3O[C@H]31)[C@@H]24 ZINC000238761968 FD Annotated Anodyne C/C=C(/C)C(=O)OC[C@@]1(O)CC[N+]2(C)CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 ZINC000238761992 FD Annotated Bother CC(=O)O[C@@H]1OC=C(COC(=O)CC(C)C)C2=C[C@H](O)[C@](O)(CCl)[C@H]21 ZINC000238762016 FD Annotated Reactive O=C1C=C(c2ccc(O)c3c2C(=O)[C@@H]2O[C@@H]2[C@H]3O)c2cccc(O)c2C1=O ZINC000238762129 FD Annotated Mild COC(=O)[C@H]1OC(=O)/C(=C\c2ccc(O)c(O)c2)[C@H]1c1ccc(O)c(O)c1 ZINC000238762269 FD Annotated Clean C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)C(=C)[C@@H](C)O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000238762309 FD Annotated Mild C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@H](O)[C@@]3(COC(=O)CC(C)C)C[C@H]12 ZINC000238762325 FD Annotated Mild CCO[C@@H]1O[C@@H](OCC)C2=C(CO)C(=O)CC2=C1COC(=O)CC(C)C ZINC000238762344 FD Annotated Mild C/C=C1/C[C@H](C)[C@@](C)(CO)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@H]23 ZINC000238762368 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(O)=C/CO)C=C(C)[C@]1(O)CC=C(C)[C@H]21 ZINC000238762905 FD Annotated Mild C/C=C(\C)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)[C@H](O)Cc1cc(O)cc(=O)o1 ZINC000238762935 FD Annotated Anodyne C=C[C@]12C=CCN3CC[C@@]4(c5cc(O)ccc5NC(=O)[C@@]4(C(=O)CO)C1)[C@@H]32 ZINC000238763155 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@H]3[C@@H](C(=O)O)CCC[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12 ZINC000238763250 FD Annotated Mild C=C1C(=O)O[C@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000238763260 FD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@@H](O)[C@]3(C2)[C@@H]1O ZINC000238763299 FD Annotated Mild C=C[C@]12C(=O)N(C)[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(OC)c4ccccc41)[C@@H]32 ZINC000238763316 FD Annotated Mild C/C1=C\C[C@H](O)C(C)(C)C(=O)[C@H](O)C[C@]23C[C@@](C)(O)[C@H](CC[C@@H]12)[C@H]3O ZINC000238763390 FD Annotated Anodyne COC(=O)[C@@]1(O)C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000238763455 FD Annotated Anodyne C[C@@H]1C[C@]2(C)CC(=O)O[C@@H]3CC[N+]4([O-])CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34 ZINC000238763464 FD Annotated Bother C=C[C@@]1(C)[C@H](C(=C)CO)[C@@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1OC(=O)[C@H](C)CC ZINC000238763775 FD Annotated Mild COC(=O)/C(C)=C\C(=O)O[C@H]1C[C@H]2[C@H](OC(=O)C=C(C)C)C[C@@H](C1)N2C ZINC000238763969 FD Annotated Anodyne CON1C(=O)[C@]2(c3ccccc31)[C@H]1[C@H]3[C@H]4CO[C@@H]2C[C@H]4[C@]1([C@@H](C)O)CN3C ZINC000238764159 FD Annotated Anodyne C[C@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@H]34 ZINC000238764180 FD Annotated Anodyne N[C@@H]1C[S@](=O)CON2Cc3c([nH]c4cc(Br)ccc34)C[C@H]12 ZINC000238764260 FD Annotated Anodyne C=C1C[C@]23CC(=O)[C@H]4[C@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C(=O)[C@]36O)N1CCO[C@@H]15 ZINC000238764355 FD Annotated Mild COC(=O)[C@@H]1[C@@H](O)[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238764490 FD Annotated Anodyne CN1C(=S)c2cc(C(N)=O)nc3c(N)c(Br)c(N)c1c23 ZINC000238764494 FD Annotated Anodyne C/C=C1/CN2C(=O)C[C@@]34c5ccccc5N[C@H]3[C@@H]2C[C@@H]1[C@@]4(CO)C(=O)OC ZINC000238764517 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]1(C)[C@@H]2C(=C)CC[C@H]1O ZINC000238764837 FD Annotated Mild CC(=O)O[C@H](C[C@@H](C[C@@H](C)OC(C)=O)OC(C)=O)C[C@H]1CC=CC(=O)O1 ZINC000238764880 FD Annotated Anodyne O=C(O[C@H]1CCN2C[C@H]3C[C@H](CN4C(=O)CCC[C@@H]34)[C@@H]2[C@@H]1O)c1ccc[nH]1 ZINC000238764931 FD Annotated Anodyne C[C@@]1(C2=CO[C@H](C3=C[C@@H](O)OC3=O)C2)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C ZINC000238765124 FD Annotated Anodyne COC(=O)[C@H]1CO[C@@H](C)[C@H]2[C@@H]1CCN1CC[C@@]3(C(=O)Nc4ccccc43)[C@H]21 ZINC000238765261 FD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@]3(C)[C@@H]([C@@H](OC(=O)C=C(C)C)[C@H]12)[C@@](C)(O)CC[C@H]3O ZINC000238765622 FD Annotated Mild CC(=O)O[C@@H](C)[C@H](C[C@H](/C=C\[C@H]1CC=CC(=O)O1)OC(C)=O)OC(C)=O ZINC000238765802 FD Annotated Anodyne Cc1c2c3c(oc1=O)C(=O)c1c(O)c([C@H](C)CO)c(O)c(O)c1[C@@]3(C)CC2 ZINC000238765858 FD Annotated Clean COC(=O)[C@@H]1C[C@@]23C4=C(CC[C@@H]41)CC[C@@H]1CN4C[C@@H](C)[C@@H](C=C[C@@]12O)[C@@]43O ZINC000238765864 FD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238765895 FD Annotated Anodyne CC(=O)OCC1=C2CC[C@@]3(C)O[C@@H]3C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000238765945 FD Annotated Anodyne COC(=O)[C@H]1C[C@]23CC[C@@H](O)N4C(=O)C[C@@]5(c6ccccc6N[C@@]15CC2)[C@@H]43 ZINC000238765988 FD Annotated Anodyne CC(C)C1=C2[C@H]3C[C@H]4O[C@](O)([C@@H]5O[C@]45CO)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 ZINC000238766199 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C(\C(=O)O)[C@@H](O)CO ZINC000238766207 FD Annotated Mild C[C@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@H]23)[C@]12CC[C@]1(COC(=O)[C@H]1O)O2 ZINC000238766218 FD Annotated Anodyne C[C@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@@](C)([C@H]23)[C@]12CC[C@@]1(COC(=O)[C@@H]1O)O2 ZINC000238766224 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@@H]3[C@@](OO)(C=C[C@@]3(C)OO)C(C)=C[C@H](OC(C)=O)[C@@H]12 ZINC000238766292 FD Annotated Reactive C=C[C@]1(COC(=O)[C@H](O)C(C)C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@H]1C(=C)C ZINC000238766394 FD Annotated Mild C[C@@H]1C[C@H]2OC(=O)C3=C2[C@H](CCC3)[C@@]12C[C@@H](C1=C[C@H](O)OC1=O)OC2=O ZINC000238766497 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(CO[C@H](O)C1)O2 ZINC000238766942 FD Annotated Anodyne C[C@@]1([C@@H]2CC[C@@H]3C[C@@]2(C=O)C[C@]3(O)CO)CCC[C@@](C)(C(=O)O)[C@H]1C=O ZINC000238767185 FD Annotated Mild CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@H]2[C@@H](OC(C)=O)C(C)=C2C=C[C@@](C)(O)[C@@H]21 ZINC000238767256 FD Annotated Anodyne C[C@]1(O)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000238767311 FD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@@]2(CO)C(CO)=CCC[C@H]2[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000238767473 FD Annotated Anodyne C=C1[C@@H]2CC[C@@H]3[C@H](O)[C@@]2(C[C@@]2(O)C(=O)C(C)(C)[C@@H](O)C[C@H]12)C[C@@]3(C)O ZINC000238767496 FD Annotated Mild CO[C@H]1C=C[C@]23c4cc5c(cc4[C@H](OC(C)=O)N(C[C@H]2O)[C@H]3C1)OCO5 ZINC000238767589 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34C(=Nc5ccc(O)cc53)[C@H]2C[C@H]1[C@]4(CO)C(=O)OC ZINC000238767603 FD Annotated Anodyne C=C1C[C@@](O)(OC(=O)/C(C)=C/CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12 ZINC000238767691 FD Annotated Mild CC(C)[C@H]1C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H]1C)[C@H]23 ZINC000238767738 FD Annotated Bother C[C@@H]1OC[C@H]2[C@@H]3N(C(=O)CO)c4ccccc4[C@@]34CCN3C[C@@H]1[C@@H]2C[C@H]34 ZINC000238767831 FD Annotated Anodyne COC(=O)C[C@@H](OC(=O)/C=C/c1cc(OC)c(O)c(OC)c1)C(=O)OC ZINC000238767907 FD Annotated Anodyne CCO[C@@H]1CO[C@@H]2Oc3cc(OC)c4c5c(c(=O)oc4c3[C@H]12)C(=O)OCC5 ZINC000238768158 FD Annotated Anodyne COC(=O)[C@H]1OC(=O)/C(=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(O)c(O)c1 ZINC000238768189 FD Annotated Clean C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@]1(C)[C@@H](O)C[C@H]3O[C@@]3(C)[C@H]21 ZINC000238768248 FD Annotated Mild COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@H]2N[C@@H]1C[C@@H]1C(C(C)=O)=COC[C@@H]12 ZINC000238768333 FD Annotated Mild C=C[C@]12C[N+](C)([O-])[C@@H]3[C@H]4CO[C@H](C[C@H]41)[C@]1(C(=O)N(OC)c4ccccc41)[C@@H]32 ZINC000238768418 FD Annotated Mild COC1=CC(=O)C[C@](C)(O)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000238768479 FD Annotated Mild O=C1[C@]23CC[C@]45CCCN6C[C@H]([C@]1(O)C4)[C@@]2(c1ccc2c(c1N3)OCO2)[C@@H]65 ZINC000238768509 FD Annotated Anodyne COc1ccc2c(c1)N(C)[C@H]1[C@@H]3C[C@@H]4[C@H]5C(=O)O[C@]4([C@H](C)O)CN3CC[C@]251 ZINC000238768582 FD Annotated Anodyne C=C1C[C@H](OC(=O)[C@@H](C)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238768939 FD Annotated Mild CC[C@]12CO[C@@H]3[C@H](C1)[C@@H](CO)[C@@H](C[C@]31C(=O)N(OC)c3ccccc31)N2 ZINC000238769035 FD Annotated Anodyne CC[C@@]12C[C@](O)(COC)C3=Nc4ccccc4[C@@]34CCN(C(=O)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000238769043 FD Annotated Anodyne CC(C)C1=C[C@@]2(O)OO[C@@H]3CC(=O)[C@](C)(CO)[C@H]4CCC(=C2[C@]43C)C1=O ZINC000238769209 FD Annotated Reactive CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@H](O)[C@@]3(CC[C@H]12)[C@@H](O)[C@]4(O)CO ZINC000238769482 FD Annotated Anodyne C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O)[C@]32C ZINC000238769522 FD Annotated Anodyne COc1cc2c(cc1OC)N(C)C1=C3N=c4ccccc4=C3CCN1C2=O ZINC000238769642 FD Annotated Anodyne C=C1C[C@@H]2O[C@H]2[C@@](C)(O)CC[C@@H]2C3=C[C@H]([C@H]4OC4(C)C)O[C@H]3O[C@H](O)[C@@H]12 ZINC000238769705 FD Annotated Mild C[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000238769739 FD Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000238769824 FD Annotated Bother COc1ccc2c(c1)N(C)[C@H]1[C@@H]3C[C@@H]4[C@H](C(=O)O)[C@]21CCN3C[C@]41O[C@H]1C ZINC000238770128 FD Annotated Anodyne C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]12CC(=O)[C@@]1(C=COC1)O2 ZINC000238770136 FD Annotated Anodyne C[C@@]1(C2=CO[C@H](C3=CC(=O)O[C@@H]3O)C2)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C ZINC000238770141 FD Annotated Anodyne C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@H](O)c1ccoc1)[C@H](O)OC[C@@]342 ZINC000238770148 FD Annotated Mild C/C=C(/C)C(=O)O[C@@]1(C)C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H](O)C=C[C@](C)(O)[C@@H]21 ZINC000238770282 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C=C(C)[C@]2(O)C[C@H]3O[C@@]3(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238770432 FD Annotated Anodyne C[C@@]12CCC[C@@]3(C)C(=O)O[C@H]([C@@H]13)[C@@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 ZINC000238770514 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@@]41CCN(C[C@@H]4O[C@@H]42)[C@@H]31 ZINC000238770587 FD Annotated Anodyne C/C1=C\CC[C@@H](C)[C@H]2CC[C@@](C)(O2)[C@H](O)[C@H]2OC(=O)[C@@](C)(O)[C@H]2C(=O)C1 ZINC000238770642 FD Annotated Anodyne O=C(O[C@@H]1CCN2C[C@@H]3C[C@H]([C@@H]2C1)[C@H](O)N1C(=O)CCC[C@H]31)c1ccc[nH]1 ZINC000238770819 FD Annotated Anodyne C[C@@]12CC[C@@H](O)[C@](C)(C=O)[C@H]1CC=C1C[C@H](C(O)(CO)CO)CC[C@H]12 ZINC000238771185 FD Annotated Mild C/C=C(/C)C(=O)O[C@H]1CCN2C[C@H]3[C@H](O)[C@H](CN4C(=O)CCC[C@H]34)[C@@H]2C1 ZINC000238771359 FD Annotated Anodyne C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](C2)OC1=O ZINC000238771360 FD Annotated Anodyne C=C[C@]12C=CCN3CC[C@@]4(c5cc(O)ccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000238771450 FD Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@@H]2C[C@H](OC(=O)/C=C(\C)C(=O)OC)C[C@H]1N2C ZINC000238771694 FD Annotated Anodyne C[C@H]1C(=O)[C@@H]2OC(=O)[C@@]3(C)[C@@H]2[C@@](C)(CC[C@H]3O)[C@]1(O)CCc1ccoc1 ZINC000238771862 FD Annotated Anodyne C[C@]1(C2=CO[C@H](C3=C[C@@H](O)OC3=O)C2)C[C@@H]2OC(=O)C3=CCC[C@H](O1)[C@@]32C ZINC000238772017 FD Annotated Anodyne COc1c2c(cc3c1[C@@H]1[C@H](O[C@@H]3OC)[C@@H](O)C=C3CCN(C)[C@H]31)OCO2 ZINC000238772077 FD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)(C)O)=C/C[C@@H]12 ZINC000238772088 FD Annotated Mild C[C@]12CC=C3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@@H]1[C@H]1OC(=O)[C@]2(O)[C@@H]2O[C@H]12 ZINC000238772129 FD Annotated Anodyne C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)[C@@H](C)CO)C1 ZINC000238772357 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN4C/C(=C/CO)[C@H](C[C@H]42)[C@@H](C=O)[C@H]13 ZINC000238772382 FD Annotated Mild COC(=O)[C@H](O)[C@H](C)Oc1ccc(C2=C(CC(C)C)C(=O)NC2=O)cc1 ZINC000238772402 FD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12CC[C@H](O)[C@](C)(C(=O)O[C@H]1O)[C@H]2[C@@H]3C(=O)O ZINC000238772447 FD Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H](O)C[C@H]1[C@@]3(C)CCC[C@]21[C@H](O)OC3 ZINC000238772529 FD Annotated Mild C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](C[C@H]12)C(=C)[C@H](O)[C@H](OC(=O)CC(C)C)[C@@H]3O ZINC000238772602 FD Annotated Mild CC1=C[C@H](C[C@](C)(O)[C@@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000238772616 FD Annotated Anodyne CC1=C[C@]23OC[C@](CC/C(=C\CO)CO)([C@H](C)C[C@@H]2O)[C@H]3CCC1=O ZINC000238772648 FD Annotated Mild C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@H]12 ZINC000238772834 FD Annotated Mild C[C@]1(CO)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@](C)([C@H](O)CO)CC[C@@]21C ZINC000238772867 FD Annotated Mild CC(=O)OCC[C@H](OC(C)=O)[C@H]1C(C)=CC2=C(CO)C(=O)O[C@@H]2C[C@@H]1C ZINC000238773079 FD Annotated Anodyne Cn1c(=O)n(CCC(=O)c2ccccc2NC=O)c(=O)c2ccccc21 ZINC000238773210 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)CC(C)C)[C@@]1(C)[C@@H](O)C[C@H]3O[C@@]3(C)[C@H]21 ZINC000238773275 FD Annotated Mild C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238773313 FD Annotated Mild C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@@H]2[C@H]1CC[C@]1(C)[C@@H](O)C=C[C@@](C)(O)[C@@H]21 ZINC000238773346 FD Annotated Anodyne CC1=C(Cl)C(=O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@@H]21 ZINC000238773454 FD Annotated Mild C=C(C)[C@@H]1CC[C@H]2C(=O)O[C@@H]3[C@H]2O[C@]2(O[C@@H]1C(=O)[C@]1(C)O[C@H]21)[C@H]3C(=C)C ZINC000238773461 FD Annotated Mild O=C1C[C@]2(O)OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000238773483 FD Annotated Anodyne COC(=O)[C@]12CC[C@H]3[C@H]4CCN5C[C@H](C(=O)C4)[C@]1(c1ccccc1N2)[C@@H]35 ZINC000238773663 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1CC[C@@]2(O)[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H](O)[C@@H]3O ZINC000238773890 FD Annotated Anodyne C[C@H]1CC[C@]23[C@@H](CC[C@@H](O)[C@@]2(O)CO[C@H]3O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238774073 FD Annotated Anodyne C=C[C@@]12C[C@]3(C(=O)OC)C(=O)Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@H]42 ZINC000238774381 FD Annotated Mild CC[C@@H](C)C[C@@H](C)/C=C/[C@@H]1C=C[C@@H](O)[C@H](O)[C@]12C(=O)O[C@](C)(O)[C@@H]2O ZINC000238774397 FD Annotated Anodyne CC[C@]12C=CC(=O)N3CC[C@@]4(c5ccccc5N[C@]45O[C@]5(C(=O)OC)C1)[C@@H]32 ZINC000238774750 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000238774828 FD Annotated Mild C[C@@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000238774868 FD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@H](OC(=O)CC(C)C)[C@@]3(CO)C[C@H]12 ZINC000238774900 FD Annotated Mild C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O ZINC000238774938 FD Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4O[C@H]4[C@]([C@H](C)O)(C1)[C@H]23 ZINC000238775024 FD Annotated Anodyne CC(C)[C@@H]1CC[C@@]23C[C@@H]4[C@]5(O[C@H]5[C@H](O)[C@]4(C)O)[C@]2(C)C(=O)[C@@H](O)[C@@]13C ZINC000238775077 FD Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)[C@H](O)C[C@](C)(O)C3 ZINC000238775139 FD Annotated Clean CC(=O)N1c2ccccc2[C@@]23CCN4C[C@H]5[C@H](C)OC[C@@H]([C@H]12)[C@H]5C[C@]43O ZINC000238775233 FD Annotated Anodyne C=C1[C@@H](O)CC/C(CO)=C/[C@H](O)[C@@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2C[C@H]1O ZINC000238775262 FD Annotated Mild C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@@H](O)c1ccoc1)[C@H](O)OC[C@@]342 ZINC000238775332 FD Annotated Mild C[C@H]1CC[C@]23[C@@H](CC[C@H]4O[C@]42[C@H](O)O[C@H]3O)[C@]1(C)CCC1=CC(=O)OC1 ZINC000238775356 FD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](O)C[C@H](O)[C@@]3(COC(=O)CC(C)C)C[C@H]12 ZINC000238775422 FD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@]1(C)[C@@H]2[C@](C)(O)[C@H](OC(=O)[C@H](C)CC)C[C@H]1O ZINC000238775482 FD Annotated Mild C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2CCC=C3CO ZINC000238775670 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000238775722 FD Annotated Anodyne O=C1C[C@@H]2OCC=C3CNCC[C@@]45C(=O)C[C@@H]3[C@@H]2[C@@H]4N1c1ccccc15 ZINC000238775988 FD Annotated Anodyne COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@@H](CC(C)=O)[C@H]2CO ZINC000238776021 FD Annotated Anodyne CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@]3(C)C(=O)[C@H]4C[C@@]4(C)[C@@H]3[C@H]2OC1=O ZINC000238776073 FD Annotated Anodyne C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@]2(O)C=CC[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O ZINC000238776093 FD Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CCOC1=O ZINC000238776347 FD Annotated Mild C=C1C[C@H](OC(=O)[C@H](C)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000238776389 FD Annotated Mild C[C@@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O ZINC000238776466 FD Annotated Anodyne Cc1cc2c(c3oc(CO)cc(=O)c13)C(=O)c1c(O)cc(O)cc1C2=O ZINC000238776492 FD Annotated Clean COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@@H]5C[C@@H]5[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000238776714 FD Annotated Mild COc1c(O)c(C)c2c(c1O)C(=O)[C@H]([C@H](O)c1ccc(O)cc1)[C@@H](O)O2 ZINC000238776966 FD Annotated Anodyne C=C[C@]1(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H]1C(=C)C=O ZINC000238777214 FD Annotated Reactive C/C1=C\C(=O)O[C@@H]2CC[N+]3([O-])CC=C(COC(=O)[C@](C)(O)[C@H](C)C1)[C@H]23 ZINC000238777238 FD Annotated Bother CC(C)CC(=O)O[C@H]1C[C@]2(CO2)[C@@H](O)[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000238777463 FD Annotated Anodyne COC(=O)[C@H]1C[C@@]23C=CCN4CC[C@@]5(c6ccccc6N[C@]15C[C@@H]2O)[C@@H]43 ZINC000238777512 FD Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C(/C)[C@@H](OC(C)=O)C[C@H]1O)OC(=O)[C@H]2C ZINC000238777542 FD Annotated Mild C=C1[C@@H](OC(C)=O)C[C@@H]2[C@@H](/C=C(\C)[C@@H](OC(C)=O)C[C@H]1O)OC(=O)[C@H]2C ZINC000238777553 FD Annotated Mild CC[C@H](O)CO[C@@]12[C@H](OC)CC[C@@]34c5cc6c(cc5CN(C[C@@H]31)[C@H]42)OCO6 ZINC000238777748 FD Annotated Anodyne COc1ccc2c(c1)N(C(C)=O)[C@H]1[C@@H]3[C@H](O)OC=C4CN5CC[C@]21[C@@H]5C[C@@H]43 ZINC000238777888 FD Annotated Anodyne CC(=O)OC[C@@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000238777984 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4C[C@H]5[C@@H](C)OC[C@@H]([C@H]12)[C@H]5C[C@]43O ZINC000238778074 FD Annotated Anodyne COC(=O)[C@@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@]41CCN(CC[C@@H]2O)[C@H]31 ZINC000238778101 FD Annotated Anodyne C/C=C1/CN2CC[C@H]1[C@@]1(C(=O)OC)C(=O)[C@@]3(C[C@@H]21)c1ccccc1N[C@@H]3O ZINC000238778230 FD Annotated Anodyne C/C=C/C(=O)[C@]1(O)[C@@H](C)[C@H](O)C[C@H]2[C@@H](C)C(=O)O[C@H]2[C@@H]1OC(=O)C(C)C ZINC000238778285 FD Annotated Mild COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]1(O)C2=Nc2ccccc21)C3 ZINC000238778483 FD Annotated Anodyne O=C1C[C@@H](O)[C@@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C[C@@H]3CCO ZINC000238778493 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CC[C@]14Nc1ccccc1[C@]41CCN(C[C@@H]4O[C@@H]42)[C@@H]13 ZINC000238778869 FD Annotated Anodyne C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@]5(O)OC4)[C@@H]1OCC2=O ZINC000238778874 FD Annotated Anodyne C=C([C@H](O)/C=C/[C@@](C)(O)CO)[C@@H]1CC(O)(O)[C@]2(C)[C@H]3CC[C@@H](C)[C@H]3[C@H]12 ZINC000238778876 FD Annotated Mild C/C=C/C=C/C(=O)OCc1c(OC)c(CO)c(/C=C/C(=O)O)oc1=O ZINC000238778991 FD Annotated Anodyne C[C@@]1(O)CC(=O)c2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000238778994 FD Annotated Clean C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](OC(C)=O)C(=C)[C@H]21 ZINC000238779075 FD Annotated Mild C=C1C(=O)O[C@H]2/C=C(\CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000238779265 FD Annotated Mild C[C@@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000238779334 FD Annotated Anodyne CC(=O)O[C@@H](C)[C@H](C[C@H](/C=C/[C@@H]1CC=CC(=O)O1)OC(C)=O)OC(C)=O ZINC000238779402 FD Annotated Anodyne COC(=O)[C@]12CC[C@@]34CC(=O)[C@H]5CN(CC[C@@H]3O)[C@@H]4[C@]51c1ccccc1N2 ZINC000238779462 FD Annotated Anodyne C=C[C@@]1(C)[C@H](C(=C)CO)[C@@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1OC(=O)C(C)C ZINC000238779501 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CC(=O)[C@@]3(C)O)[C@](C)(O)C[C@@H](OCC(C)C)[C@@H]12 ZINC000238779543 FD Annotated Mild CC(=O)N1c2ccccc2[C@]23CCN4C/C(=C/CO)[C@H](C[C@H]42)[C@H](CO)[C@H]13 ZINC000238779563 FD Annotated Anodyne C/C=C1/CN[C@@H]2C[C@H]1[C@](CO)(C(=O)OC)[C@]13CCO[C@]21Nc1ccccc13 ZINC000238779578 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]3[C@@H](CC[C@]3(C)O)[C@@]3(C)C[C@H](OC(=O)C(C)C)[C@@]12O3 ZINC000238779737 FD Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N[C@@]23[C@H]2C[C@@H]1[C@]4(C(=O)OC)[C@H](O)O2 ZINC000238779795 FD Annotated Anodyne CN1CC[C@]23C(=O)C[C@H](C4=CCC(=O)N(c5ccccc52)[C@@H]43)/C(=C\CO)C1 ZINC000238779806 FD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@@H]1O ZINC000238780015 FD Annotated Anodyne C[C@@H]1[C@H](O)C[C@@H](CO)C(COC(=O)[C@H]2CCC(=O)N2)=C2CC(C)(C)C[C@@H]21 ZINC000238780140 FD Annotated Anodyne C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(=O)/C(C)=C/CO)C[C@@H]12 ZINC000238780355 FD Annotated Mild C=C(CO)C(=O)O[C@H]1CCC(=C)[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000238780393 FD Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@H]2[C@H](OC(=O)[C@@H]2C)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000238780490 FD Annotated Mild CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)C(O)(O)C2=O ZINC000238780497 FD Annotated Anodyne O=C1O/C(=C\c2ccc(O)c(O)c2)C(=O)C(c2cc(O)ccc2O)=C1O ZINC000238780548 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2O ZINC000238780557 FD Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)[C@H](O)O[C@@H](OCC)[C@@]3(C)C[C@@H]12 ZINC000238780559 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(=O)/C(C)=C/CO)=C/[C@@H](O)[C@H]12 ZINC000238780683 FD Annotated Mild C[C@H]1[C@H]2C[C@H]3N1C[C@H]1CCC(=O)C4=C(C(=C2N)C2=C4CCOC2=O)[C@]13C ZINC000238780847 FD Annotated Mild COc1cc([C@@H]2O[C@@H]3C(=CC(/C=C\CO)=C[C@@H]3OC)[C@@H]2CO)ccc1O ZINC000238781003 FD Annotated Anodyne C/C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)[C@@H](O)[C@@H]4OC[C@@]2(O)[C@@]1(C)[C@@]34C ZINC000238781602 FD Annotated Anodyne C[C@@H]1C[C@H](O)C(=O)C(C)(C)/C=C\[C@@H]2O[C@]23C(=O)O[C@@H]([C@H]2C=COC2)C[C@@H]13 ZINC000238781647 FD Annotated Anodyne C=C1C[C@]23C[C@H]1[C@@H](O)C[C@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000238781714 FD Annotated Mild C[C@@]12C[C@H](O)C[C@@](C)(CO)[C@H]1CCC1=C[C@@](C)([C@@H](O)CO)[C@H](O)C[C@H]12 ZINC000238781783 FD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)C)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@]12O ZINC000238781808 FD Annotated Mild COC(=O)[C@]1(c2cc3ccccc3[nH]2)COC[C@@H]2O[C@@]23CN(C)CC[C@H]31 ZINC000238781828 FD Annotated Anodyne C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@]1(C[C@H](O)c1ccoc1)[C@H]2CCC=C3CO ZINC000238781882 FD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12COC(=O)[C@@](C)([C@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)C2 ZINC000238781914 FD Annotated Mild CC(=O)OCC1=C2CC[C@@]3(C)[C@H](O)CC(OC(C)=O)=C(C)[C@@H]3[C@H]2OC1=O ZINC000238781926 FD Annotated Anodyne COC(=O)[C@H]1CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]21 ZINC000238782188 FD Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@]1(C)[C@@H]2C(C)=CC[C@H]1O ZINC000238782256 FD Annotated Mild C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@@H]3O ZINC000238782304 FD Annotated Mild C=C(C)C(=O)O[C@H]1C[C@H](C)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(CO)=C31)O2 ZINC000238782337 FD Annotated Mild COC(=O)[C@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2O)[C@@H]31 ZINC000238782383 FD Annotated Anodyne C=C1C(=O)O[C@@]2(C)CC[C@H]1C[C@@H](O)[C@@](C)(O)CC[C@@H](O)C(=C)CC[C@H]2O ZINC000238782540 FD Annotated Mild CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1 ZINC000238782596 FD Annotated Anodyne C=C1[C@@H]2C[C@@H]3OC(=O)[C@@H]4C(C)(C)CC[C@@H]5OC(=O)[C@@](C2)([C@@H]3[C@]54CO)[C@@H]1O ZINC000238782672 FD Annotated Mild COC(=O)[C@@H]1C[C@@]23CCCN4C(=O)C(=O)[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 ZINC000238783416 FD Annotated Anodyne CC[C@@H](O)/C=C/C=C\[C@H]1CC(=O)NCCCN(C(C)=O)CCCCN1 ZINC000238783652 FD Annotated Anodyne COC1(OC)C[C@]23CCC[N+]2([O-])CCc2cc4c(cc2[C@@H]3[C@H]1O)OCO4 ZINC000238783721 FD Annotated Bother C[C@H]1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000238783791 FD Annotated Anodyne C/C=C1/[C@H]2[C@]34CC[N+]2(C)C[C@H](O)[C@H]1C(C(=O)OC)=C3Nc1ccccc14 ZINC000238784013 FD Annotated Bother COc1cc(O)cc([C@@H](O)[C@H](CO)c2cc(OC)c(O)c(OC)c2)c1 ZINC000238784166 FD Annotated Anodyne C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]1(C)[C@H]2[C@H]2C=C[C@]1(O)C(=O)O2 ZINC000238784249 FD Annotated Anodyne CC(C)=C[C@H]1O[C@@]23C(=O)[C@H]4O[C@H]4C(=O)C2=C[C@@H]2[C@H](CC[C@]2(C)O)[C@@]3(C)C1=O ZINC000238784366 FD Annotated Mild COC(=O)[C@@H]1C[C@@]23[C@@H](O)CCN4CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@@H]43 ZINC000238784578 FD Annotated Anodyne COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@@H](C[C@H](C)O)[C@H]2CO ZINC000238784715 FD Annotated Anodyne CC(C)=C1C[C@H]2[C@](C)(O)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)CC[C@]2(C)CC1=O ZINC000238784777 FD Annotated Mild CC(C)[C@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@H]3OC(=O)C4=C3[C@@](C)(CC[C@@H]4O)CC[C@]12C ZINC000238784902 FD Annotated Anodyne COC1=CC(=O)[C@H]2C[C@H]3[C@@H]4C(=C(OC)C(OC)=C[C@@H]4CCN3C)[C@@H]2C1=O ZINC000238785044 FD Annotated Mild C=C1C(=O)O[C@H](C2=C(C)[C@@H](OC)CC2=O)[C@H]1C[C@H](OC(C)=O)C(C)=O ZINC000238785136 FD Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@H](COC(=O)C(C)C)[C@]1(C)CCC(=O)[C@]21O ZINC000238785170 FD Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N[C@]23[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC ZINC000238785489 FD Annotated Anodyne CO[C@@]12C=C3[C@@H](Cl)[C@H](O)[C@H](OC(C)=O)[C@H](C)[C@@]3(C)C[C@]13O[C@]3(C)CO2 ZINC000238785492 FD Annotated Reactive COc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(=O)[C@H](O)[C@](C)(O)C3 ZINC000238786146 FD Annotated Clean C=C1CC[C@]2(C)[C@@H](C)[C@H](O)C=C(C(=O)[C@@H]3O[C@@]3(C)CC[C@H]1O)[C@@]2(C)O ZINC000238786458 FD Annotated Mild COc1ccc(CCc2cc(=O)c3c(o2)[C@H](Cl)[C@@H](O)[C@@H](O)[C@@H]3O)cc1 ZINC000238786477 FD Annotated Reactive CCOC(=O)[C@]12C(=O)C=C3C=Cc4ccc(OC)c(O)c4[C@@]31CCN2C ZINC000238786592 FD Annotated Mild C=C1[C@@H]2O[C@H](OC(=O)CC(C)C)[C@@H]3[C@@]1(O)C[C@@H](OC(C)=O)[C@]3(CCl)O2 ZINC000238786693 FD Annotated Reactive CC(=C\[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)/C=C(\C)C(=O)O ZINC000238786699 FD Annotated Anodyne C/C(=C/C(C)=C/[C@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1)C(=O)O ZINC000238786701 FD Annotated Anodyne O=C1N[C@H]2OC[C@@H]3[C@H]2[C@@H](C[C@H]2c4[nH]c5ccccc5c4CCN23)[C@@H]1CO ZINC000238786895 FD Annotated Anodyne C=C(C)[C@H](O)CC/C(C)=C\CN(CCC[C@H](C(=O)O)[N+](C)(C)C)C(=N)N ZINC000238787177 FD Annotated Mild O=CN1CCc2cc3c(cc2[C@@]12Oc1c(ccc4c1OCO4)C2=O)OCO3 ZINC000238787221 FD Annotated Anodyne Cn1c[n+](C)c(C(=O)c2nccc3c2[nH]c2ccc(O)cc23)c1[S@@](C)=O ZINC000238787222 FD Annotated Anodyne COC(=O)CCc1oc2cc(C)cc(O)c2c(=O)c1[C@H](O)C(=O)OC ZINC000238787430 FD Annotated Anodyne CC(=O)O[C@H]1C(=O)C=C(C)[C@H]2CC3=C(C)C(=O)O[C@]3(OC(C)=O)C[C@@]21C ZINC000238787530 FD Annotated Mild CC(C)=C[C@H]1O[C@@]23C(=O)C=CC(=O)[C@]24O[C@@H]4[C@@H]2[C@H](CC[C@]2(C)O)[C@@]3(C)C1=O ZINC000238787899 FD Annotated Mild COc1ccc2c(c1O)-c1c(O)c(OC)cc(CC[N+](C)(C)CO)c1C2=O ZINC000238787911 FD Annotated Bother CC[C@]12C[C@@]3(C(=O)OC)O[C@H]1[C@H](O)CN1CCc4c(n3c3ccccc43)[C@H]12 ZINC000238787989 FD Annotated Anodyne C=C1C(=O)[C@@]23CC[C@]4(O)[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2[C@@H](O)[C@@H](O)[C@@H]1C3 ZINC000238788053 FD Annotated Mild COc1cc2c(c3c1C[C@@](C)(O)[C@@H](O)C3=O)C(=O)c1cccc(O)c1C2=O ZINC000238788059 FD Annotated Clean CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H]1[C@](C)(O)C(=O)C[C@@H]3[C@H](C)CO[C@]2(C)/C=C\C=O ZINC000238788292 FD Annotated Reactive CC(=O)C[C@H]1O[C@@H]2[C@H]3[C@@H]1[C@](C)(O)C(=O)C[C@@H]3[C@H](C)CO[C@]2(C)/C=C/C=O ZINC000238788293 FD Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2[C@H](OC(C)=O)[C@@H](C)C[C@@]34[C@@H]1CCCN3CC[C@H](O)[C@H]24 ZINC000238788525 FD Annotated Anodyne CC[C@]1(O)C[C@@]2(CC)O/C(=C/C(=O)OC)[C@@]3(CC)O[C@@H]([C@H](C)O)[C@@H]1[C@H]32 ZINC000238788568 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4C(=O)C(=O)[C@]5(c6ccccc6N[C@]15CC2)[C@H]43 ZINC000238788668 FD Annotated Anodyne C=C[C@]1(C)C=C2[C@@H](O)[C@H](O)[C@H]3[C@@](C)(C(=O)O)CC[C@H]4C[C@]43[C@@]2(O)C(=O)C1 ZINC000238788957 FD Annotated Mild CC(C)C1=C2[C@H]3CC=C(CO)[C@@H](O)[C@H](O)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1=O ZINC000238789015 FD Annotated Mild CC1=CCCC(C)(C)[C@H]1/C=C\[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789263 FD Annotated Anodyne CC1=CCCC(C)(C)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000238789264 FD Annotated Anodyne COC1=CC(=O)C([C@H]2COc3c(ccc(OC)c3OC)C2)=C(OC)C1=O ZINC000238789394 FD Annotated Mild C=C1C[C@H](OC(=O)C(=C)C)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2O[C@](O)(C1)C[C@@]2(C)O ZINC000238789755 FD Annotated Mild Cc1nn(CC(=O)NC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)c(=O)c(C#N)c1C ZINC000024764340 FD Annotated Mild Cc1nn(CC(=O)NC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)c(=O)c(C#N)c1C ZINC000024764346 FD Annotated Mild CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230386 FD Annotated Anodyne CCOC(=O)[C@]1(CCSC)N[C@H](c2ccco2)[C@@H]2C(=O)N(C)C(=O)[C@H]21 ZINC000245230387 FD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000247459503 FD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000247459513 FD Annotated Anodyne C=CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000248018606 FD Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000248018608 FD Annotated Anodyne CC(C)CCNC(=O)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000248295322 FD Annotated Anodyne CC(C)CCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccnc4)C(=O)[C@H]13)O2 ZINC000248295324 FD Annotated Anodyne CCN(CC)C(=O)Cn1cnc2sc(C(=O)NC(C)C)c(C)c2c1=O ZINC000002500403 FD Annotated Anodyne CC(C)OCCCNC(=O)CCCn1c(=O)[nH]c2ccsc2c1=O ZINC000002601717 FD Annotated Anodyne O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccco1 ZINC000002601919 FD Annotated Anodyne CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000002627169 FD Annotated Bother Cn1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(=O)n(C)c1=O ZINC000002711308 FD Annotated Anodyne Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1 ZINC000002713772 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1 ZINC000002720214 FD Annotated Anodyne Cc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(N)=O ZINC000002846497 FD Annotated Anodyne Cc1sc2ncn(CC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1C ZINC000002921590 FD Annotated Anodyne COc1ccccc1C/N=C(\O)Cn1c(=O)c2ccccc2n(C)c1=O ZINC000002922893 FD Annotated Mild O=C(C/N=C(\O)Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCCC1 ZINC000002924754 FD Annotated Mild Cc1cc(Br)ccc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O ZINC000002927891 FD Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2 ZINC000002928375 FD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCN(C2CCCC2)CC1 ZINC000002929375 FD Annotated Anodyne O=C(CCS(=O)(=O)Cc1ccccc1F)N1CCC2(CC1)OCCO2 ZINC000002941305 FD Annotated Anodyne O=C(c1ccco1)N1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1 ZINC000002961213 FD Annotated Anodyne Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCC4(CC3)OCCO4)n2)cc1 ZINC000002965245 FD Annotated Anodyne Cc1cncn1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1 ZINC000002969520 FD Annotated Anodyne COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C(=O)O[C@@H]1CCCCC1=O ZINC000025229513 FD Annotated Anodyne CC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1 ZINC000025480527 FD Annotated Anodyne O=C(NC1CC1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250092152 FD Annotated Anodyne O=C(NC1CC1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@H]13)O2 ZINC000250092157 FD Annotated Anodyne CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)Nc2ccc(F)cc2)[C@H]3C1=O ZINC000250462669 FD Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)CCC[C@H]1C ZINC000251590706 FD Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)[C@@H]1C ZINC000251590714 FD Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)CCC[C@H]1C ZINC000251590721 FD Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000251758312 FD Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC000251758318 FD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC000252089298 FD Annotated Anodyne C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)C1 ZINC000252089301 FD Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000252101541 FD Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000252101543 FD Annotated Anodyne C[C@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@H]2CC[C@H]1C2 ZINC000253632467 FD Annotated Anodyne C[C@@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@H]2CC[C@H]1C2 ZINC000253632468 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 ZINC000253633880 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 ZINC000253633882 FD Annotated Anodyne CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO ZINC000253633903 FD Annotated Anodyne C[C@@H]1CCC(=NNc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253634618 FD Annotated Mild C[C@H]1CCC(=NNc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000253634620 FD Annotated Mild C[C@H]1CC[C@@H](C)[C@@H]1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000253635214 FD Annotated Anodyne C[C@H]1CC[C@@H](C)[C@@H]1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000253635218 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000253637036 FD Annotated Anodyne C[C@@H]1CCC(=NNc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000253637107 FD Annotated Mild C[C@H]1CCC(=NNc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000253637109 FD Annotated Mild COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O ZINC000253637402 FD Annotated Anodyne CC1=C[C@@H]2O[C@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@]31CO1 ZINC000253637504 FD Annotated Mild CC1=C[C@@H]2O[C@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@@]31CO1 ZINC000253637505 FD Annotated Mild COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000253637517 FD Annotated Anodyne COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O ZINC000253637519 FD Annotated Anodyne COc1ccc(C=c2nc(O)c(=Cc3cccs3)nc2O)cc1OC ZINC000253638203 FD Annotated Anodyne C[C@@H]1CC(=O)N1[C@H](Cc1ccccc1)C(=O)NC[C@H]1C=Nc2cncnc21 ZINC000253638654 FD Annotated Anodyne C[C@@H]1CC(=O)N1[C@@H](Cc1ccccc1)C(=O)NC[C@H]1C=Nc2cncnc21 ZINC000253638657 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000253639310 FD Annotated Anodyne C[C@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC[C@H]1O ZINC000253644068 FD Annotated Anodyne C[C@H]1CCN(C)[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000253659956 FD Annotated Anodyne O=S(=O)(c1cnc(Cl)c(Br)c1)N1C[C@H]2C[C@H]1CN2 ZINC000253661071 FD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000253668429 FD Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000253668435 FD Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000253668441 FD Annotated Bother CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000253668447 FD Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@H]4CC[C@H]3CN4)nc21 ZINC000253669687 FD Annotated Anodyne COc1cc(C=c2nc(O)c(=Cc3cccs3)nc2O)cc(OC)c1 ZINC000253683047 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3CC[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000253684910 FD Annotated Anodyne C[C@@H]1CN1C1=C(N2CCCC2)C(=O)C(N2C[C@H]2C)=C(N2CCCC2)C1=O ZINC000253692917 FD Annotated Mild CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 ZINC000253695124 FD Annotated Anodyne CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 ZINC000253695139 FD Annotated Anodyne O=[N+]([O-])c1nccn1C[C@H](O)CN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br ZINC000253770954 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br ZINC000253770964 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br ZINC000253770975 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br ZINC000253770983 FD Annotated Reactive CC(=O)N(C(C)=O)S(=O)(=O)c1ccc(N=NN2CCOCC2)cc1 ZINC000253782887 FD Annotated Clean CC1(C)[C@@H]2C[C@@H]1CC=C2CO[P@](=O)(O)OC[C@H](COC=O)OC=O ZINC000253806640 FD Annotated Anodyne S=C(NCc1ccco1)NN=CC=NNC(=S)NCc1ccco1 ZINC000253809496 FD Annotated Mild CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@H]2C1=O ZINC000253848530 FD Annotated Bother CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@H]2C[C@H]2C1=O ZINC000253848533 FD Annotated Bother COCC(=O)N(c1ccccc1)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000253848752 FD Annotated Anodyne O=C(OC[C@H]1C[C@H]2O[C@H]1[C@H](C(=O)O)[C@@H]2C(=O)O)[C@H]1C[C@H]1c1ccccc1 ZINC000253849803 FD Annotated Anodyne Cc1nc2ccccn2c1[C@@H](C)SCCNC1=N[S@](=O)N=C1N ZINC000253856475 FD Annotated Anodyne Cc1nc2ccccn2c1[C@H](C)SCCNC1=N[S@](=O)N=C1N ZINC000253856476 FD Annotated Anodyne Cc1nc2ccccn2c1[C@H](C)SCCNC1=N[S@@](=O)N=C1N ZINC000253856477 FD Annotated Anodyne Cc1nc2ccccn2c1[C@@H](C)SCCNC1=N[S@@](=O)N=C1N ZINC000253856478 FD Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N@@+]21[O-] ZINC000253868784 FD Annotated Bother CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N@+]21[O-] ZINC000253868786 FD Annotated Bother COCCCNC(=O)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@H]13)O2 ZINC000253966813 FD Annotated Anodyne Cc1cccc(CN2CCN(Cc3ccc4nonc4c3)C[C@H]2CCO)n1 ZINC000253979207 FD Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)Cl ZINC000253995089 FD Annotated Anodyne COC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@]1(O)C(F)(F)Cl ZINC000253995092 FD Annotated Anodyne CCOC(=O)N1CCC(N=c2c(O)c(O)c2=Nc2ccc(F)cc2)CC1 ZINC000253996306 FD Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@@H]1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254005541 FD Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1N=Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000254005543 FD Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N=Nc2c(N)nc(O)nc2O)cc1 ZINC000254036057 FD Annotated Clean O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@@H]1O[C@H]31 ZINC000254046402 FD Annotated Anodyne O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@H]1O[C@H]13 ZINC000254046409 FD Annotated Anodyne O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@@H]1O[C@@H]31 ZINC000254046415 FD Annotated Anodyne O=S1(=O)[C@@H]2C[C@H]3O[C@@]2(CN1Cc1ccc(C(F)(F)F)cc1)[C@H]1O[C@@H]13 ZINC000254046420 FD Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@H](C)[C@H](O)[C@H]1C ZINC000254047356 FD Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000254047362 FD Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@H](C)[C@@H](O)[C@H]1C ZINC000254047370 FD Annotated Anodyne Cc1ccc(NC[C@]2(/N=C/c3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)cc1 ZINC000254047476 FD Annotated Mild Cc1ccc(NC[C@]2(/N=C\c3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)cc1 ZINC000254047479 FD Annotated Mild Cc1ccc(NC[C@]2(/N=C\c3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)cc1 ZINC000254047483 FD Annotated Mild Cc1ccc(NC[C@]2(/N=C/c3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)cc1 ZINC000254047485 FD Annotated Mild C[C@@H]1CC[C@@H](Oc2nc(N)c(C(N)=O)c(O[C@H]3CCC[C@@H]3O)n2)CC1 ZINC000254074036 FD Annotated Anodyne C[C@@H]1[C@@H]2CC[C@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@]3(C)O ZINC000254076474 FD Annotated Anodyne C[C@@H]1[C@@H]2CC[C@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@@H](O)C2(C)C)C[C@@]3(C)O ZINC000254076480 FD Annotated Anodyne C[C@@H]1[C@@H]2CC[C@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@]3(C)O ZINC000254076484 FD Annotated Anodyne C[C@@H]1[C@@H]2CC[C@H]3[C@H](O)[C@@]2(C[C@H](O)[C@]2(O)[C@@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000254076490 FD Annotated Anodyne CCC[S@](=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000254077239 FD Annotated Anodyne CCC[S@](=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@H]21 ZINC000254077242 FD Annotated Anodyne CCC[S@](=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]21 ZINC000254077244 FD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn(C4[C@@H](O)CC[C@@H]4O)c3n2)CC1 ZINC000254086090 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000254112463 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000254112464 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@@H]1[C@H]2[C@@]2(C)C(C)=C(C)[C@@]1(C)[S@]2=O ZINC000254113489 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@H]2O[C@H]1[C@H]1[C@H]2[C@@]2(C)C(C)=C(C)[C@@]1(C)S2=O ZINC000254113491 FD Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 ZINC000254121060 FD Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)cc1 ZINC000254121064 FD Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000254145389 FD Annotated Mild C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@@H](O)/C(=C/CO)C(=O)O ZINC000254145390 FD Annotated Mild C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@H]1C[C@H](O)/C(=C/CO)C(=O)O ZINC000254145392 FD Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)/C(=C/CO)C(=O)O ZINC000254145394 FD Annotated Mild CC(C)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254309926 FD Annotated Mild CC(C)C(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254309928 FD Annotated Mild CC(C)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1 ZINC000254309929 FD Annotated Mild CC(C)C(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1 ZINC000254309930 FD Annotated Mild COCCCn1c(=NC(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 ZINC000254364744 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C1CC1 ZINC000254385493 FD Annotated Mild COc1ccc(N2C(=NC(C)=O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254400682 FD Annotated Mild COc1ccc(N2C(=NC(C)=O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254400684 FD Annotated Mild COc1ccc(N2C(=NC(C)=O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC ZINC000254400686 FD Annotated Mild COc1ccc(N2C(=NC(C)=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC ZINC000254400687 FD Annotated Mild C=CCN1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000254419344 FD Annotated Mild C=CCN1C(=NC(=O)COc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000254419345 FD Annotated Mild C=CCN1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000254419346 FD Annotated Mild C=CCN1C(=NC(=O)COc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000254419347 FD Annotated Mild C=CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cccc(OC)c21 ZINC000254487791 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1)C1CC1 ZINC000254494138 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1)C1CC1 ZINC000254494139 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1)C1CC1 ZINC000254494142 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1)C1CC1 ZINC000254494143 FD Annotated Mild CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2c(C)ccc(OC)c21 ZINC000254520833 FD Annotated Anodyne O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C1CC1 ZINC000254566487 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C1CC1 ZINC000254566489 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1)C1CC1 ZINC000254566490 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1)C1CC1 ZINC000254566492 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F)C1CC1 ZINC000254711012 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F)C1CC1 ZINC000254711014 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F)C1CC1 ZINC000254711015 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F)C1CC1 ZINC000254711017 FD Annotated Mild CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 ZINC000254817945 FD Annotated Mild CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(OC)c1 ZINC000254817946 FD Annotated Mild CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 ZINC000254817947 FD Annotated Mild CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(OC)c1 ZINC000254817948 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccccc1)C1CC1 ZINC000254818418 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C1CC1 ZINC000254818421 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccccc1)C1CC1 ZINC000254818422 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)C1CC1 ZINC000254825002 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)C1CC1 ZINC000254825004 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1)C1CC1 ZINC000254825006 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1)C1CC1 ZINC000254825008 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CC1 ZINC000254826107 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CC1 ZINC000254826108 FD Annotated Mild O=C(N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CC1 ZINC000254826109 FD Annotated Mild O=C(N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CC1 ZINC000254826110 FD Annotated Mild CCOC(=O)Cn1c(=NC(=O)CSC(C)=O)sc2ccccc21 ZINC000254839263 FD Annotated Anodyne Cn1c(=NC(=O)CSCC(=O)N2CCOCC2)sc2ccccc21 ZINC000254840047 FD Annotated Anodyne O=c1nc2sc(=Cc3ccco3)c(=O)n2nc1Cc1ccc(F)cc1 ZINC000254898205 FD Annotated Anodyne aggregator O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCn2cccc2C1 ZINC000025982694 FD Annotated Anodyne C[C@@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN)OCO3 ZINC000025985903 FD Annotated Anodyne C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)CN)OCO3 ZINC000025985910 FD Annotated Anodyne C[C@H]1Cc2cc3c(cc2C(c2ccc(N)cc2)=NN1C(=O)[C@@H](C)N)OCO3 ZINC000025987595 FD Annotated Anodyne C[C@H](N)C(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 ZINC000025987602 FD Annotated Anodyne C[C@@H](N)C(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000025987607 FD Annotated Anodyne C[C@H](N)C(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000025987611 FD Annotated Anodyne CNCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@@H]1C)OCO3 ZINC000025987697 FD Annotated Anodyne CNCC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2C[C@H]1C)OCO3 ZINC000025987704 FD Annotated Anodyne C=C1[C@H]2C[C@]3([C@H](C[C@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255197515 FD Annotated Mild C=C1[C@H]2C[C@]3([C@H](C[C@@H]2O)[C@@]24[C@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255197516 FD Annotated Mild C=C1[C@H]2C[C@@]3([C@@H]4C[C@H]5[C@]6(C)CC[C@@H](O)[C@]5([C@H]4N(CC)C6)[C@H]3C[C@@H]2O)[C@@H]1O ZINC000255197517 FD Annotated Mild C=C1[C@H]2C[C@]3([C@H](C[C@@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255197518 FD Annotated Mild CCN1C[C@]2(C)CC[C@H](O)[C@]34[C@H]1[C@H](C[C@H]23)[C@]12C[C@H]([C@H](C)[C@H]1O)[C@H](O)C[C@H]24 ZINC000255200464 FD Annotated Anodyne C=C1[C@H]2CC[C@]3([C@H]([C@H]2O)[C@@]24[C@@H](O)CC[C@@]5(C)CN(CC)[C@H]2[C@@H]3C[C@H]54)[C@@H]1O ZINC000255205607 FD Annotated Mild CC(C)[C@@H]1[C@H](O)[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@@H]42)[C@@]13C ZINC000255207290 FD Annotated Anodyne CC(=O)[C@H]1CC[C@]23O[C@]24CC[C@@H]2C[C@H](O)CC[C@]2(C)[C@@H]4[C@@H](O)[C@H](O)[C@]13C ZINC000255210981 FD Annotated Anodyne CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6CC[C@@](O)([C@H]5C(=O)O6)[C@@H](C[C@@H]32)[C@@H]14 ZINC000255218812 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000255219513 FD Annotated Bother C=C1[C@@H](O)[C@@]23C[C@@H]4[C@H]5N(CC)C[C@]6(C)CC[C@H](O)[C@]5([C@H]46)[C@@H]2C[C@H](O)[C@@H]1C3 ZINC000255220608 FD Annotated Mild CCN1[C@H]2[C@@]34[C@@H]5CC[C@](C)([C@H]3C[C@]2(O)[C@@]2(O)CC[C@H]3C[C@@H]4[C@@H]2[C@H]3O)[C@H]1O5 ZINC000255221605 FD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@H]5[C@]67C[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@@H]73 ZINC000255226673 FD Annotated Mild C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)CC(=O)C[C@]57[C@@H]([C@H]2[C@H](O)[C@H]1C[C@]37OC(C)=O)N4C6 ZINC000255255431 FD Annotated Mild C[C@@]1(O)C[C@]23CC(=O)[C@]4(C)[C@@H]5CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@H]51 ZINC000255260712 FD Annotated Anodyne C[C@]1(O)C[C@]23CC(=O)[C@]4(C)[C@@H]5CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@H]51 ZINC000255260713 FD Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@@H]4N(CCO)C[C@]5(C)CCC[C@]46[C@H](C2)[C@]3([C@@H](O)C[C@@H]65)[C@@H]1O ZINC000255261455 FD Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@@H]2OC(C)=O)[C@]3([C@H](O)[C@H]5[C@@H]76)[C@@H]1O ZINC000255262423 FD Annotated Mild C[C@]1(O)C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000255263662 FD Annotated Anodyne C[C@@]1(O)C[C@]23CC(=O)[C@@H]4[C@@]5(C)CCC[C@]46[C@@H]([C@H]2C[C@H]1C[C@]36O)N1CCO[C@@H]15 ZINC000255263664 FD Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000255263839 FD Annotated Anodyne CC(=O)[C@@H]1CC[C@@]2(O)[C@]1(C)C[C@H](O)[C@H]1[C@@]3(C)CC[C@H](O)CC3=CC[C@@]12O ZINC000255263976 FD Annotated Anodyne C[C@@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@]4(O)O[C@H]([C@H]5[C@@H]3CC[C@]5(C)O)[C@@]2(O)[C@]14C ZINC000255264008 FD Annotated Anodyne C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)C[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O ZINC000255264820 FD Annotated Mild C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@H]4[C@@]5([C@@H]6CC[C@@]4(C)[C@H](N[C@H]15)O6)[C@@H]3C[C@@H]2O ZINC000255274889 FD Annotated Mild C[C@@H]1OC(=O)[C@]23C=C[C@@H]4[C@@]5(C)CC[C@H](O)CC5=CC[C@]4(O)[C@@]2(O)CC[C@H]13 ZINC000255280095 FD Annotated Anodyne CO[C@H]1C[C@]2(O)[C@H]3C[C@H]4[C@@]5([C@@H](OC)CC[C@@]4(C)C=N[C@H]35)[C@@H]3C[C@H]1[C@H](O)[C@@H]32 ZINC000255280574 FD Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C ZINC000255284091 FD Annotated Anodyne CC(=O)[C@H]1CC[C@]2(O)[C@]1(C)[C@@H](O)C[C@@H]1[C@@]3(C)CC[C@@H](O)CC3=CC[C@@]12O ZINC000255284092 FD Annotated Anodyne CC(=O)[C@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000255284093 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@@H]2O[C@@H]2[C@H]2[C@H](C)C[C@H]3OC(=O)[C@@H](C)[C@H]3[C@H](O)[C@@]21C ZINC000255284414 FD Annotated Anodyne Cc1noc(C)c1-c1cc(CC[C@H]2CN(CCC(N)=O)CCO2)ncn1 ZINC000257254885 FD Annotated Anodyne Cc1noc(C)c1-c1cc(CC[C@@H]2CN(CCC(N)=O)CCO2)ncn1 ZINC000257254886 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@@H]2CC[C@H](O)[C@@H](C)[C@@]12C ZINC000257394065 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@@H]2CC[C@H](O)[C@@H](C)[C@]12C ZINC000257394066 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000257394067 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C ZINC000257394068 FD Annotated Anodyne CC(C)=CC(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@H]2C=CC(=O)[C@@]12C ZINC000257406519 FD Annotated Mild CC(C)=CC(=O)O[C@@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000257406520 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@@H]3C(=O)O ZINC000257422445 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@H]3C(=O)O ZINC000257422446 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000257422447 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@H]3O ZINC000257423729 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@@H](O)[C@@H]3O ZINC000257423730 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000257423731 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@H]3O ZINC000257423732 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257435010 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257435011 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257435012 FD Annotated Mild CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257440958 FD Annotated Anodyne CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257440959 FD Annotated Anodyne CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257440960 FD Annotated Anodyne CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@](O)(C[C@@]2(C)[C@@]2(O)C[C@@H](O)[C@@H](C)[C@@H]42)[C@]13C ZINC000257440961 FD Annotated Anodyne CC1=C(C(C)C)C[C@@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@]1(O)CC[C@@H](C)[C@H]3O ZINC000257452985 FD Annotated Anodyne CC1=C(C(C)C)C[C@@]2(O)[C@]1(O)[C@]13OC(=O)C[C@@]2(C)[C@@]1(O)CC[C@@H](C)[C@H]3O ZINC000257452986 FD Annotated Anodyne CC1=C(/C=C/[C@@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000257453590 FD Annotated Anodyne CC1=C(/C=C/[C@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000257453591 FD Annotated Anodyne CC1=C(/C=C/[C@H](C)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000257453592 FD Annotated Anodyne CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1 ZINC000257453593 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)C(=O)CC[C@H](O)[C@H]1C ZINC000257456070 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)C(=O)CC[C@@H](O)[C@@H]1C ZINC000257456071 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@]1(C)C(=O)CC[C@@H](O)[C@H]1C ZINC000257456072 FD Annotated Anodyne CO[C@@H]1[C@H](O)c2coc3c2[C@@](C)(c2ccc4c(c2C3=O)CCC4=O)[C@H]1O ZINC000257460318 FD Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C[C@H](O)C1=CCOC1=O ZINC000257463464 FD Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@@H]1C[C@@H](O)C1=CCOC1=O ZINC000257463465 FD Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@@H]1O ZINC000257479655 FD Annotated Anodyne C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000257481438 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@@H]2[C@@H]3C(=O)O ZINC000257481439 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@@H]2[C@H]3C(=O)O ZINC000257481440 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12COC(=O)[C@@](C)(C[C@H](O)C1)[C@H]2[C@H]3C(=O)O ZINC000257481441 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000257500396 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@H]3C(=O)O ZINC000257500397 FD Annotated Mild C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@H]3C(=O)O ZINC000257500398 FD Annotated Mild C=C1C[C@H](C[C@@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000257523900 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O ZINC000257532013 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000257532014 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O ZINC000257532015 FD Annotated Mild C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000257532016 FD Annotated Mild C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@@]4(O)O[C@H]([C@@H]5[C@@H]3CC[C@]5(C)O)[C@@]2(O)[C@@]14C ZINC000257537731 FD Annotated Anodyne C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@@]4(O)O[C@H]([C@@H]5[C@@H]3CC[C@@]5(C)O)[C@@]2(O)[C@@]14C ZINC000257537732 FD Annotated Anodyne C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@@]4(O)O[C@H]([C@@H]5[C@H]3CC[C@@]5(C)O)[C@@]2(O)[C@@]14C ZINC000257537733 FD Annotated Anodyne C[C@H](CO)[C@@H]1C[C@H]2[C@@]3(C)C[C@@]4(O)O[C@H]([C@@H]5[C@H]3CC[C@]5(C)O)[C@@]2(O)[C@@]14C ZINC000257537734 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@@H]1CC[C@@H]2O[C@@H]2[C@H](O)[C@H](O)[C@H](CCC)OC1=O ZINC000257540942 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@@H]1CC[C@@H]2O[C@@H]2[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000257540943 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@@H]1CC[C@@H]2O[C@@H]2[C@H](O)[C@@H](O)[C@@H](CCC)OC1=O ZINC000257540944 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@@H]1CC[C@@H]2O[C@@H]2[C@H](O)[C@@H](O)[C@H](CCC)OC1=O ZINC000257540945 FD Annotated Anodyne C=C[C@@]12CN(C)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)N(OC)c4ccccc41)[C@H]32 ZINC000257545523 FD Annotated Mild C=C[C@@]12CN(C)[C@H]3[C@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)N(OC)c4ccccc41)[C@H]32 ZINC000257545524 FD Annotated Mild C=C[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@@]1(C(=O)N(OC)c4ccccc41)[C@H]32 ZINC000257545525 FD Annotated Mild C=C[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@H]41)[C@]1(C(=O)N(OC)c4ccccc41)[C@H]32 ZINC000257545526 FD Annotated Mild CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)C2=O ZINC000257547031 FD Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)OC4)C2=O ZINC000257547032 FD Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@]13C2=O ZINC000257547033 FD Annotated Anodyne CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@H]1O[C@]13C2=O ZINC000257547034 FD Annotated Anodyne C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@@H]2[C@H]3C(=O)O ZINC000257548892 FD Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000257548893 FD Annotated Mild C=C1[C@H](O)[C@@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@H]3C(=O)O ZINC000257548894 FD Annotated Mild C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@H]1[C@@H]2C[C@H](O)C[C@H]1C(=O)O ZINC000257560056 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@H]1[C@@H]2C[C@@H](O)C[C@H]1C(=O)O ZINC000257560057 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)O[C@@]13C[C@@H](OC3=O)[C@@H]1[C@H](C(=O)O)C[C@H](O)C[C@H]12 ZINC000257560058 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(F)c2)nc1O ZINC000258003690 FD Annotated Anodyne O=C(O)c1cn(C2CC2)c2nc(N3C[C@H]4CCC[C@H]3CN4)c(F)cc2c1=O ZINC000258011974 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000026002105 FD Annotated Anodyne N[C@@H](CC(=O)O)C(=O)N[C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000026002112 FD Annotated Anodyne C[C@@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000026005102 FD Annotated Anodyne C[C@]1(OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000026005108 FD Annotated Anodyne COCCN(C)C[C@H](C(=O)Nc1c(C)cccc1C)N(C)CCOC ZINC000026006789 FD Annotated Anodyne COCCN(C)C[C@@H](C(=O)Nc1c(C)cccc1C)N(C)CCOC ZINC000026006794 FD Annotated Anodyne O=S(=O)(Nc1nc2nc3c(c(O)n2n1)CCC3)c1ccc(Cl)cc1 ZINC000026022338 FD Annotated Anodyne CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCNCP(=O)(O)O)C(=O)O ZINC000026026209 FD Annotated Anodyne CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCNCP(=O)(O)O)C(=O)O ZINC000026026215 FD Annotated Anodyne NC(N)=Nc1nc(C(=O)Nc2nc3c([N+](=O)[O-])cccc3s2)cs1 ZINC000026145092 FD Annotated Mild CCOCC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000026148315 FD Annotated Anodyne CCOCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCOCC1 ZINC000026148322 FD Annotated Anodyne CC1(C)[C@H](COC(=O)c2ccccc2)N2C(=O)[C@H](Cl)[C@H]2S1(=O)=O ZINC000026151211 FD Annotated Reactive N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1 ZINC000026157858 FD Annotated Anodyne CCOC[C@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000026158314 FD Annotated Anodyne CCOC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000026158324 FD Annotated Anodyne COc1cc(N2C(=O)[C@H](O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026163985 FD Annotated Bother COc1cc(N2C(=O)[C@H](O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026163990 FD Annotated Bother COc1cc(N2C(=O)[C@@H](O)[C@@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026163995 FD Annotated Bother COc1cc(N2C(=O)[C@@H](O)[C@H]2c2ccc([N+](=O)[O-])o2)cc(OC)c1OC ZINC000026164002 FD Annotated Bother O=c1cc(CP(=O)(O)O)c2ccc(I)cc2[nH]1 ZINC000026166512 FD Annotated Anodyne COc1ccc([C@@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026174707 FD Annotated Anodyne COc1ccc([C@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026174712 FD Annotated Anodyne COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026174716 FD Annotated Anodyne COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1N ZINC000026174720 FD Annotated Anodyne COc1ccc([C@@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026174837 FD Annotated Anodyne COc1ccc([C@H]2[C@@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026174843 FD Annotated Anodyne COc1ccc([C@@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026174848 FD Annotated Anodyne COc1ccc([C@H]2[C@H](O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cn1 ZINC000026174853 FD Annotated Anodyne CN[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)[C@H]1C ZINC000026180299 FD Annotated Anodyne Cn1c2nc(=O)n(CCCCCS)c(=O)c-2nc2ccc(C#N)cc21 ZINC000026181500 FD Annotated Mild Cn1c2nc(=O)n(CCCCCCS)c(=O)c-2nc2ccc(C#N)cc21 ZINC000026181504 FD Annotated Mild C[C@@H]1C[C@@H](N)CN1c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1 ZINC000026182751 FD Annotated Anodyne C[C@H]1C[C@@H](N)CN1c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1 ZINC000026182755 FD Annotated Anodyne C[C@@H]1C[C@H](N)CN1c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1 ZINC000026182761 FD Annotated Anodyne C[C@H]1C[C@H](N)CN1c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1 ZINC000026182765 FD Annotated Anodyne OCCOCn1cc(I)c2c(Cl)ncnc21 ZINC000026184650 FD Annotated Anodyne O=C(O)c1cn(-c2nccs2)c2nc(N3CCOCC3)ccc2c1=O ZINC000026185504 FD Annotated Anodyne C[C@H]1[C@H](N)CCN1c1ccc2c(=O)c(C(=O)O)cn(-c3nccs3)c2n1 ZINC000026187387 FD Annotated Anodyne N[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026188250 FD Annotated Anodyne N[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026188255 FD Annotated Anodyne CCn1c(=O)c2ccc(Cl)cc2n2c(CSC3=NCCN3)nnc12 ZINC000026189274 FD Annotated Anodyne CN(NS(=O)(=O)Cc1ccccc1)S(=O)(=O)Cc1ccccc1 ZINC000026190006 FD Annotated Anodyne C[C@@]1(N)CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026248780 FD Annotated Anodyne C[C@]1(N)CCN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 ZINC000026248789 FD Annotated Anodyne C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1N ZINC000026252722 FD Annotated Anodyne COc1cc(O)c2c(=O)c3cc(N)c(N4CCN(C)CC4)cc3n(C)c2c1 ZINC000026259526 FD Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COc3cncc(Cl)c3)S[C@H]12 ZINC000026259882 FD Annotated Anodyne C[C@H]1C(/C=C/CSc2nncs2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026269651 FD Annotated Anodyne C[C@H]1C(/C=C/C[N+]23CCC(CC2)CC3)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026274629 FD Annotated Bother C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(COc3cncc4ccccc34)S[C@H]12 ZINC000026277849 FD Annotated Anodyne CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@@H]2N1CCCC1=O ZINC000026280010 FD Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(C)(C)[C@@H](O)[C@H]2N1CCCC1=O ZINC000026280016 FD Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000026280101 FD Annotated Bother CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[C@@H](N1CCCC1=O)[C@H](O)C(C)(C)O2 ZINC000026280106 FD Annotated Bother CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](O)CCc3ccc(O)cc3)[C@@H]2O1 ZINC000026283313 FD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)COc3ccccc3)[C@H]2O1 ZINC000026286277 FD Annotated Anodyne Cc1nc2ccccn2c1[C@@H](C)SCCNC1=NS(=O)N=C1N ZINC000026287470 FD Annotated Anodyne Cc1nc2ccccn2c1[C@H](C)SCCNC1=NS(=O)N=C1N ZINC000026287476 FD Annotated Anodyne N=C(N)c1ccc(O)c(/C=C/CNC(=O)c2cc3nnc(O)cc3s2)c1 ZINC000026287592 FD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H](CNC(=O)Cc3ccccc3)[C@H]2O1 ZINC000026290562 FD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@@H](O)CCc3ccc(O)cc3)[C@H]2O1 ZINC000026292804 FD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)CCc3ccc(O)cc3)[C@@H]2O1 ZINC000026294590 FD Annotated Anodyne CC(C)(C)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](O)CCc3ccc(O)cc3)[C@H]2O1 ZINC000026296268 FD Annotated Anodyne CCOC(=O)c1c(N2CCN(C)CC2)c2ccc(C)nc2n(CC)c1=O ZINC000026377804 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)CC[C@H]2C(=O)C3CCN2CC3)cc1 ZINC000026379261 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)CC[C@@H]2C(=O)C3CCN2CC3)cc1 ZINC000026379264 FD Annotated Anodyne CCOC(=O)C(=O)Nc1c(C(=O)OCC)c(=O)n(CC)c2ncccc12 ZINC000026382744 FD Annotated Anodyne CCOC(=O)c1c(N2CC[N+](C)(C)CC2)c2ccc(C)nc2n(CC)c1=O ZINC000026385290 FD Annotated Bother C[C@@H](O)C1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O ZINC000026394933 FD Annotated Anodyne C[C@H](O)C1=Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2S1(=O)=O ZINC000026394937 FD Annotated Anodyne CCOC(=O)c1cc([N+](=O)[O-])cnc1SNC(=O)Nc1ncccn1 ZINC000026400100 FD Annotated Bother CC1(C)[C@@](Cn2cncn2)(c2ccc(F)cc2F)OCCS1(=O)=O ZINC000026401343 FD Annotated Anodyne CN(C)CCNc1ccc(NCCN)c2c1C(=O)c1ccccc1C2=O ZINC000026468868 FD Annotated Clean C[C@H]1C(COc2cccc3c2CCC3=O)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026490432 FD Annotated Anodyne C[C@H]1C(COc2ccc3c(c2)CCC3)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12 ZINC000026494801 FD Annotated Anodyne O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 ZINC000026498812 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 ZINC000026498815 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@@H](O)CN[C@@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 ZINC000026498818 FD Annotated Reactive O=[N+]([O-])c1nccn1C[C@H](O)CN[C@@H]1[C@@H](Br)[C@H]2CC[C@@H]1C2 ZINC000026498822 FD Annotated Reactive C[C@H](Br)[C@H](C)NC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000026499764 FD Annotated Reactive C[C@H](Br)[C@H](C)NC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000026499766 FD Annotated Reactive CNS(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000261072200 FD Annotated Anodyne C[C@]12CC[C@](O)(C#Cc3ccc4c(c3)-c3nc(C(N)=O)cn3CCO4)[C@H]1O2 ZINC000261075942 FD Annotated Mild C[C@]12CC[C@@](O)(C#Cc3ccc4c(c3)-c3nc(C(N)=O)cn3CCO4)[C@H]1O2 ZINC000261075943 FD Annotated Mild C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@H]3CC[C@H]2C3)n1 ZINC000261082437 FD Annotated Mild C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 ZINC000261082440 FD Annotated Mild CC(C)(Oc1ccc(C#N)cn1)C(=O)N[C@H]1[C@H]2CCC[C@H]1C[C@H](C(N)=O)C2 ZINC000261110711 FD Annotated Mild O=C(N[C@@H]1CC[C@@H](O)CC1)c1[nH]ncc1NC(=O)c1c(F)cccc1F ZINC000261117242 FD Annotated Anodyne Oc1cc(O)c(/C=N/OCCO/N=C/c2cc(O)c(O)cc2O)cc1O ZINC000261142776 FD Annotated Mild N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](CSc4ccncc4)C3)c[nH]c21 ZINC000261151510 FD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](CSc4ccncc4)[C@@H](O)C3)c[nH]c21 ZINC000261151512 FD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccncc4)C3)c[nH]c21 ZINC000261151516 FD Annotated Anodyne N[C@@H]1CC[C@@H](NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)CC1 ZINC000261175395 FD Annotated Anodyne CC(C)(O)C#C[C@@H]1CC[C@@H]2OC[C@](C)(O)c3sc(C(N)=O)nc3[C@@H]2C1 ZINC000261180055 FD Annotated Mild CC(C)(O)C#C[C@@H]1CC[C@@H]2OC[C@@](C)(O)c3sc(C(N)=O)nc3[C@@H]2C1 ZINC000261180057 FD Annotated Mild CC(C)(O)C#C[C@@H]1CC[C@@H]2OC[C@@](C)(O)c3sc(C(N)=O)nc3[C@H]2C1 ZINC000261180058 FD Annotated Mild CC(C)(O)C#C[C@@H]1CC[C@@H]2OC[C@](C)(O)c3sc(C(N)=O)nc3[C@H]2C1 ZINC000261180059 FD Annotated Mild N[C@@H]1NC=Nc2c(CN3C[C@@H](O)[C@H](COCc4ccccc4)C3)c[nH]c21 ZINC000261183095 FD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@H](O)[C@@H](COCc4ccccc4)C3)c[nH]c21 ZINC000261183096 FD Annotated Anodyne N[C@@H]1NC=Nc2c(CN3C[C@@H](COCc4ccccc4)[C@@H](O)C3)c[nH]c21 ZINC000261183097 FD Annotated Anodyne COC(=O)[C@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000263590571 FD Annotated Anodyne COC1=C/C(=c2/[nH]c3n(c2=NC(C)(C)CC(C)(C)C)C=CNC=3)C=CC1=O ZINC000263591939 FD Annotated Mild CC(C)CN1CCN(Cc2cnc(N3CCOCC3)s2)C[C@H]1CCO ZINC000263592041 FD Annotated Anodyne COC1=C/C(=c2/[nH]c3n(c2=Nc2c(C)cccc2C)C=CNC=3)C=CC1=O ZINC000263592108 FD Annotated Mild COC1=C/C(=c2/[nH]c3n(c2=Nc2ccc(C(C)C)cc2)C=CNC=3)C=CC1=O ZINC000263592114 FD Annotated Mild O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NC1CCCCC1 ZINC000263592116 FD Annotated Bother O=C1C=CC=CC1=Nc1cc(N2CCOCC2)c2c(c1[N+](=O)[O-])NON2 ZINC000263592130 FD Annotated Mild O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCc1ccc2c(c1)OCO2 ZINC000263592144 FD Annotated Bother COc1ccc(-n2nc([N+](=O)[O-])c(=NCCc3ccccc3)n2O)cc1 ZINC000263592223 FD Annotated Bother O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=Nc1ccccc1 ZINC000263592224 FD Annotated Bother O=C(O)[C@@H]1[C@@H](C(=O)O)[C@@]23C[C@]2(C(=O)O)[C@@]2(C(=O)O)CCC3=C3CCC[C@@]312 ZINC000263610441 FD Annotated Anodyne O=C(O)[C@@H]1[C@@H](C(=O)O)[C@@]23C[C@@]2(C(=O)O)[C@@]2(C(=O)O)CCC3=C3CCC[C@@]312 ZINC000263610442 FD Annotated Anodyne O=C(O)[C@H]1[C@@H](C(=O)O)[C@@]23CCCC2=C2CC[C@]3(C(=O)O)[C@]3(C(=O)O)C[C@]213 ZINC000263610443 FD Annotated Anodyne C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@@H]2[C@H](Cl)C(=O)CC(=O)[C@@H]2C(=O)O1 ZINC000263620229 FD Annotated Anodyne in-vitro C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@@H]2[C@H](Cl)C(=O)CC(=O)[C@H]2C(=O)O1 ZINC000263620230 FD Annotated Anodyne in-vitro C=C1CS[C@H]([C@@](C=O)(NC(=O)Cc2cccs2)OC)N=C1C(=O)O ZINC000263620276 FD Annotated Mild O=NC1=c2ccc(=c3nc(C4CCNCC4)[nH]c3=C3C=CNC=C3)cc2CC1 ZINC000263620476 FD Annotated Anodyne in-vitro N=C(CCC(N)=O)C1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1CC=O ZINC000263620871 FD Annotated Mild N=C1N[C@H]2n3c(c(Br)c4ccccc43)C(=O)N3CCC[C@]23N1 ZINC000263621059 FD Annotated Anodyne CC(C)(CO)n1c(=O)[nH]c2c3cccnc3n(-c3ccccc3)c(=O)c21 ZINC000263621355 FD Annotated Anodyne C/C=C1/C[C@H](C)[C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000263636694 FD Annotated Mild COC1=CC(=c2ccc3c(c2)NNC=3c2nc3ccccc3[nH]2)C=CC1=O ZINC000263639044 FD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C(=O)CBr)cc2)C(=O)O1 ZINC000026570756 FD Annotated Reactive N#Cc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)NCC(=O)O)cc1 ZINC000026572415 FD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)O1 ZINC000026573616 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(I)cc2)C(=O)O1 ZINC000026573934 FD Annotated Anodyne CC1(C)[C@@H](n2cnc3ccccc3c2=O)C(=O)C[C@@H]2[C@@H](O)CCC[N+]21[O-] ZINC000026574193 FD Annotated Bother COCO[C@H]1CCCN2CO[C@H](Cn3cnc4ccccc4c3=O)C[C@H]12 ZINC000026575041 FD Annotated Anodyne CC(C)N1C[C@@H]2C[C@@H](CN(C(=O)c3ccc(NS(C)(=O)=O)cc3)C2)C1 ZINC000026575054 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([S@@](=O)C(F)(F)F)cc2)C(=O)O1 ZINC000026575063 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([S@](=O)C(F)(F)F)cc2)C(=O)O1 ZINC000026575065 FD Annotated Anodyne CCOC(=O)N1CCC[C@H](O)[C@@H]1CC(=O)Cn1cnc2ccccc2c1=O ZINC000026577108 FD Annotated Anodyne CCOC(=O)N1CCC[C@H](O)[C@H]1CC(=O)Cn1cnc2ccccc2c1=O ZINC000026577109 FD Annotated Anodyne O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1 ZINC000026578172 FD Annotated Anodyne CC1(C)OC[C@@H](COCC2=CC=C(COC[C@@H](O)CO)SS2)O1 ZINC000026578678 FD Annotated Reactive CC1(C)OC[C@H](COCC2=CC=C(COC[C@@H](O)CO)SS2)O1 ZINC000026578679 FD Annotated Reactive CC1(C)OC[C@@H](COCC2=CC=C(COC[C@H](O)CO)SS2)O1 ZINC000026578680 FD Annotated Reactive CC1(C)OC[C@H](COCC2=CC=C(COC[C@H](O)CO)SS2)O1 ZINC000026578681 FD Annotated Reactive O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@]23O[C@]12CCCC3=O ZINC000026578755 FD Annotated Anodyne O=C1[C@@H]2O[C@@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12CCCC3=O ZINC000026579561 FD Annotated Anodyne Cc1ccc(NC(=O)Nn2c(=O)c(=O)[nH]c3cc([N+](=O)[O-])ccc32)cc1 ZINC000026642498 FD Annotated Bother CCOC(=O)c1nc(O)c2cc3cc(OC(C)=O)c(OC)cc3nc2n1 ZINC000026644758 FD Annotated Bother CC(C)(C)c1ccc2ncc(NC(=O)CNC(=O)[C@H](N)CCCN)cc2c1 ZINC000026653920 FD Annotated Anodyne O=C1NCCC[C@H]1C(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000026658458 FD Annotated Reactive O=C1NCCC[C@@H]1C(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000026658464 FD Annotated Reactive CCCc1c(O)c2[nH]c(CCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026665724 FD Annotated Anodyne Cc1c(O)c2[nH]c(CCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026671810 FD Annotated Anodyne Cc1c(O)c2[nH]c(CCCCN3N=C(Cl)CCC3=O)nc2n(C)c1=O ZINC000026673551 FD Annotated Anodyne CNS(=O)(=O)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000026675290 FD Annotated Anodyne CCNC(=O)n1nc(-c2ccc(N)cc2)c2cc3c(cc2c1=O)OCO3 ZINC000026716288 FD Annotated Anodyne CN(C)S(=O)(=O)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 ZINC000026717313 FD Annotated Anodyne Cc1c(O)c2[nH]c(CN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O ZINC000026720228 FD Annotated Anodyne CCOC(=O)Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21 ZINC000026723641 FD Annotated Bother COC(=O)[C@H](NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000026723954 FD Annotated Bother Cc1c(F)c(N2[C@H]3CN[C@H](C3)[C@H]2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000026725166 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000026725243 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@@H]2[C@@H](C)N3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000026726057 FD Annotated Anodyne COCC(=O)N(c1ccccc1)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026726484 FD Annotated Anodyne COCC(=O)N(c1ccccc1)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026726489 FD Annotated Anodyne CNC(=O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21 ZINC000026729003 FD Annotated Anodyne NC(=O)c1nnn(Cc2cccc(C(=O)c3ccc(Cl)cc3)c2)c1N ZINC000026730143 FD Annotated Anodyne Cc1c(F)c(N2[C@@H](C)[C@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000026730493 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@@H]2[C@H](C)N3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000026730716 FD Annotated Anodyne O=C(O)CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21 ZINC000026731358 FD Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)CC[C@@H]2c3cc4c(cc3C(=O)N[C@@H]12)OCO4 ZINC000026734648 FD Annotated Anodyne CO[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736230 FD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736235 FD Annotated Anodyne CO[C@@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736240 FD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCn2cnnn2)C[C@@H]1C ZINC000026736245 FD Annotated Anodyne O=C(O)c1cccc(-n2c(=O)n(Cc3ccccc3)c(=O)c3[nH]cnc32)c1 ZINC000026740414 FD Annotated Anodyne O=c1ccccn1[C@@H]1c2cc([N+](=O)[O-])ccc2OC(CF)(CF)[C@H]1O ZINC000026740574 FD Annotated Bother O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@H]1O[C@H]1C5=O ZINC000026744471 FD Annotated Mild in-vivo CC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(=O)CCl)C1=N ZINC000026752785 FD Annotated Reactive CC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(=O)CCl)C1=N ZINC000026752790 FD Annotated Reactive CC(=O)NC[C@@H]1CC(c2cc(F)c(N3CCOCC3)c(Cl)c2)=NO1 ZINC000026820205 FD Annotated Anodyne CC(=O)NC[C@H]1CC(c2cc(F)c(N3CCOCC3)c(Cl)c2)=NO1 ZINC000026820210 FD Annotated Anodyne C[n+]1c(-c2ccc(/C=N/NC(=N)N3CCOCC3)cc2)cn2ccccc21 ZINC000026824195 FD Annotated Mild Cc1ccc2n(c1)cc(COc1ccc(/C=N/NC3=NCCN3)cc1)[n+]2C ZINC000026825721 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/Nc3nc(N)nc(N)n3)cc2)cn2ccccc21 ZINC000026826064 FD Annotated Mild C/N=C(/NC)N/N=C/c1ccc(OCc2cn3c(C)cccc3[n+]2C)cc1 ZINC000026827294 FD Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N[N+](=O)[O-])cc1)[n+]2C ZINC000026827868 FD Annotated Mild Cn1c(COc2ccc(/C=N/NC3=NCCN3)cc2)[n+](C)c2ccccc21 ZINC000026829183 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/Nc3nnc(S)n3N)cc2)cn2ccsc21 ZINC000026830246 FD Annotated Mild CNC(=N)N/N=C/c1ccc(-c2c([N+](=O)[O-])n3ccccc3[n+]2C)cc1 ZINC000026831637 FD Annotated Mild C/N=C(\NC)N/N=C/c1ccc(OCc2cn3ccccc3[n+]2C)cc1 ZINC000026832009 FD Annotated Mild CN(C)C(=N)N/N=C/c1ccc(-c2c([N+](=O)[O-])n3ccccc3[n+]2C)cc1 ZINC000026833440 FD Annotated Mild CC(=O)Nc1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026833824 FD Annotated Mild Cc1cccc2n1cc(COc1ccc(/C=N/NC(=N)NO)cc1)[n+]2C ZINC000026833832 FD Annotated Mild CC[S@@](=O)c1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026834115 FD Annotated Mild CC[S@](=O)c1ccc2n(c1)cc(-c1ccc(/C=N/NC(=N)N)cc1)[n+]2C ZINC000026834119 FD Annotated Mild O=c1n([C@H]2CS[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026834266 FD Annotated Bother O=c1n([C@H]2CS[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026834269 FD Annotated Bother O=c1n([C@@H]2CS[C@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026834271 FD Annotated Bother O=c1n([C@@H]2CS[C@@H](CO)O2)ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn12 ZINC000026834274 FD Annotated Bother Cc1ccc2n(c1)cc(COc1ccc(/C=N/NC(=N)NO)cc1)[n+]2C ZINC000026834578 FD Annotated Mild C/N=C(\NC)N/N=C/c1ccc(OCc2n(C)c3ccccc3[n+]2C)cc1 ZINC000026835395 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/Nc3nnc(S)n3N)cc2)cn2ccccc21 ZINC000026835522 FD Annotated Mild COc1ccc2c(c1)[C@H](NCCN1CCOCC1)c1cccnc1CO2 ZINC000026835848 FD Annotated Anodyne COc1ccc2c(c1)[C@@H](NCCN1CCOCC1)c1cccnc1CO2 ZINC000026835852 FD Annotated Anodyne CN(C)C(=N)N/N=C/c1ccc(OCc2cn3ccccc3[n+]2C)cc1 ZINC000026836500 FD Annotated Mild Cc1ccc2n(c1)cc(-c1ccc(/C=N/Nc3nc(N)nc(N)n3)cc1)[n+]2C ZINC000026836850 FD Annotated Mild O=C1NCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CNC1=O)N2 ZINC000026944310 FD Annotated Anodyne N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C1 ZINC000026947287 FD Annotated Anodyne N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C=O)cn3-c2nccs2)C1 ZINC000026947296 FD Annotated Anodyne CN1CCN(C2=CC(=O)c3c(c(CO)c(-c4ccccc4)n3C)C2=O)CC1 ZINC000026980293 FD Annotated Mild CC(=O)NCc1cccc(-c2csc(/N=C(/N)NCCN(C)C)n2)c1 ZINC000026980376 FD Annotated Mild N[C@@H]1CCN(c2nc3[nH]cc(CNCc4ccccc4)c(=O)c3cc2F)C1 ZINC000026986468 FD Annotated Anodyne N[C@H]1CCN(c2nc3[nH]cc(CNCc4ccccc4)c(=O)c3cc2F)C1 ZINC000026986476 FD Annotated Anodyne CCOC(=O)CNC(=O)OCc1c2c(n(C)c1C)C(=O)C=C(OC)C2=O ZINC000026990292 FD Annotated Mild C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCO)CC(=O)O1 ZINC000026991635 FD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCC(=O)O)CC(=O)O1 ZINC000026992506 FD Annotated Anodyne C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](SCCN)CC(=O)O1 ZINC000026994084 FD Annotated Anodyne CN(C)CCn1[nH]c2c3ccccc3nc3c(C(=O)NCCN)ccc1c32 ZINC000026995938 FD Annotated Bother CN1C(=O)C(=C(O)Nc2ccc(Br)cc2)C(=O)N(C)C1=O ZINC000026997786 FD Annotated Anodyne COC(=O)c1cc([C@@H](O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O ZINC000027079118 FD Annotated Anodyne COC(=O)c1cc([C@H](O)CN2CCN(C(=O)c3ccco3)CC2)ccc1O ZINC000027079124 FD Annotated Anodyne CC(C)CCOC(=O)OC[C@@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027082796 FD Annotated Anodyne CC(C)CCOC(=O)OC[C@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027082802 FD Annotated Anodyne CCCCCOC(=O)OC[C@@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027084099 FD Annotated Anodyne CCCCCOC(=O)OC[C@H](CO)CCn1cnc2cnc(N)nc21 ZINC000027084105 FD Annotated Anodyne O=C(O)CCCN1C(=O)C[C@@]2(CC(CCCC3CCNCC3)=NO2)C1=O ZINC000027088983 FD Annotated Anodyne O=C(O)CCCN1C(=O)C[C@]2(CC(CCCC3CCNCC3)=NO2)C1=O ZINC000027088990 FD Annotated Anodyne CC/N=C(/NC#N)NCCNc1nc(N(CC)CC)nc2ccccc12 ZINC000027097216 FD Annotated Mild O=C1c2c(O)ccc(O)c2-c2ncnc3ccc(NCCNCCO)c1c23 ZINC000027102024 FD Annotated Clean CC1(C)C=C(C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1O ZINC000027104427 FD Annotated Anodyne O=C(O)CCCCCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O ZINC000027184876 FD Annotated Reactive CCCn1c(=O)c2nn(CC(=O)OCC)c(=O)n2c2ccc(Cl)cc21 ZINC000027188454 FD Annotated Anodyne O=C(O)CCCCn1cc(N(CCCl)CCCl)c(=O)[nH]c1=O ZINC000027196118 FD Annotated Reactive O=C(O[C@H](C(=O)O)[C@@H](C(=O)O)C(=O)Oc1ccsc1)c1ccsc1 ZINC000027196800 FD Annotated Anodyne O=C(O[C@@H](C(=O)O)[C@@H](C(=O)O)C(=O)Oc1ccsc1)c1ccsc1 ZINC000027196806 FD Annotated Anodyne O=C(O[C@H](C(=O)O)[C@H](C(=O)O)C(=O)Oc1ccsc1)c1ccsc1 ZINC000027196810 FD Annotated Anodyne O=C(O[C@@H](C(=O)O)[C@H](C(=O)O)C(=O)Oc1ccsc1)c1ccsc1 ZINC000027196816 FD Annotated Anodyne O=C(NNc1ccccc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000027207418 FD Annotated Reactive O=C(NNc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccccc1 ZINC000027207421 FD Annotated Reactive COc1cc2c(cc1OC)C(c1ccccc1)=Nn1c(n[nH]c(=O)c1=O)C2 ZINC000027207793 FD Annotated Anodyne CN/C(=N/CCCCn1nc(-c2ccc(OC)cc2)ccc1=O)NC#N ZINC000027208327 FD Annotated Mild CO[C@H]1Nc2cc3c(cc2C(=O)N2C=C(/C=C/C(=O)N(C)C)C[C@@H]12)OCO3 ZINC000027210266 FD Annotated Anodyne COC(=O)N/N=C/c1ccc2c(c1)[n+](=O)c1cc(C#N)c(N)cc1n2O ZINC000027216766 FD Annotated Anodyne C/N=C(/NC#N)NCCCCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000027298822 FD Annotated Mild N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)cn1 ZINC000027300281 FD Annotated Anodyne N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H](CC(=O)O)C3=O)cn1 ZINC000027300287 FD Annotated Anodyne CCC(C)(C)C(=O)C(=O)N1[C@@H]2CCC[C@@H]1C(=O)OCCCCOC2=O ZINC000027300828 FD Annotated Anodyne CCC(C)(C)C(=O)C(=O)N1[C@H]2CCC[C@@H]1C(=O)OCCCCOC2=O ZINC000027300834 FD Annotated Anodyne CCC(C)(C)C(=O)C(=O)N1[C@H]2CCC[C@H]1C(=O)OCCCCOC2=O ZINC000027300844 FD Annotated Anodyne O=C(O)C[C@@H]1CCc2cc(NC(=O)COC3CCNCC3)ccc2C1=O ZINC000027305016 FD Annotated Anodyne O=C(O)C[C@H]1CCc2cc(NC(=O)COC3CCNCC3)ccc2C1=O ZINC000027305023 FD Annotated Anodyne CC(C)NC(=N)N/C(N)=N\OCCCOc1ccc(Br)cc1 ZINC000027306558 FD Annotated Mild COC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027312468 FD Annotated Anodyne CCN1c2nc(C(F)(F)F)c(C(F)(F)F)nc2C(N)=NS1(=O)=O ZINC000027316338 FD Annotated Anodyne C=CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027316933 FD Annotated Anodyne NC(=S)NC[C@H]1CN(c2cc(F)c3c(c2)OC[C@@H]2CCCN32)C(=O)O1 ZINC000027320920 FD Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCCNCCNCCO)cccc21 ZINC000027409452 FD Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CO)s3)c(F)c2)C(=O)O1 ZINC000027411429 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(O)s3)c(F)c2)C(=O)O1 ZINC000027411502 FD Annotated Anodyne CCNCCCCNC/C=C\CNCCCCNCCCCNCC ZINC000027414642 FD Annotated Anodyne CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2Cl)C1 ZINC000027415363 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cncnc4C3)c(F)c2)C(=O)O1 ZINC000027417293 FD Annotated Anodyne COC(=O)Cc1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@H]1C2 ZINC000027417644 FD Annotated Anodyne COC(=O)Cc1cc(=O)n2c(c1C(=O)OC)[C@H]1Cc3ccccc3C[C@@H]1C2 ZINC000027417648 FD Annotated Anodyne COC(=O)Cc1cc(=O)n2c(c1C(=O)OC)[C@@H]1Cc3ccccc3C[C@H]1C2 ZINC000027417653 FD Annotated Anodyne COC(=O)Cc1cc(=O)n2c(c1C(=O)OC)[C@@H]1Cc3ccccc3C[C@@H]1C2 ZINC000027417657 FD Annotated Anodyne CN(C)S(=O)(=O)Nc1cccc(/C(=N/O)c2ccc3c(c2)OCO3)c1 ZINC000027418157 FD Annotated Mild CCn1cc(C(=O)O)c(=O)c2c(N)c(F)c(N3CC(C)(N)C3)c(F)c21 ZINC000027419337 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc(CN)s3)c(F)c2)C(=O)O1 ZINC000027420314 FD Annotated Anodyne COC(=O)N1CCCc2cc(N3C[C@H](CNC(C)=O)OC3=O)ccc2C1 ZINC000027424148 FD Annotated Anodyne Cc1nc2c(nc1-c1ccccc1)C(N1CCCC1)=NS(=O)(=O)N2C ZINC000027424596 FD Annotated Anodyne COc1ccccc1-c1cn2c(O)c3ncn(COCCO)c3nc2n1 ZINC000027424790 FD Annotated Anodyne O=[N+]([O-])c1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000027425169 FD Annotated Bother COc1ccc(-c2cn3c(O)c4ncn(COCCO)c4nc3n2)cc1 ZINC000027428365 FD Annotated Anodyne Cc1cc(N(CCO)CCO)n2nc(SCc3ccccc3)nc2n1 ZINC000027429222 FD Annotated Anodyne Cc1c(-c2ccccc2)nc2nc3c(ncn3COC(CO)CO)c(O)n12 ZINC000027430450 FD Annotated Anodyne Cc1ccc(-c2cn3c(O)c4ncn(COC(CO)CO)c4nc3n2)cc1 ZINC000027430458 FD Annotated Anodyne CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000027433683 FD Annotated Clean CC(C)O[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000027433687 FD Annotated Clean CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000027433692 FD Annotated Clean CCNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3 ZINC000027437569 FD Annotated Anodyne CCNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027440439 FD Annotated Anodyne CN1N=C(O[C@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027442348 FD Annotated Bother CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027442354 FD Annotated Bother CN1N=C(O[C@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027442360 FD Annotated Bother CN1N=C(O[C@@H]2c3ccc([N+](=O)[O-])cc3OC(C)(C)[C@H]2O)[C@@H]2C[C@@H]2C1=O ZINC000027442366 FD Annotated Bother CCN(CC)C1=CC(=O)C(=NNc2cc(S(=O)(=O)O)ccc2O)C=C1 ZINC000271773467 FD Annotated Mild CC(=O)OCC(=O)N1C(=O)C[C@@H]2[C@@H]1CC[C@H]2C(=O)OCc1ccccc1 ZINC000027517544 FD Annotated Anodyne CC(=O)OCC(=O)N1C(=O)C[C@H]2[C@@H](C(=O)OCc3ccccc3)CC[C@@H]21 ZINC000027517545 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)n(C[C@H](CO)NC(=O)OC(C)(C)C)c2cc1C ZINC000027517565 FD Annotated Anodyne CNC(=O)N1N=C(c2cccc(N)c2)c2cc3c(cc2CC1=O)OCO3 ZINC000027518644 FD Annotated Anodyne CCC[C@H](N[C@@H](C)C(=O)N1N=C(C(C)(C)C)S[C@H]1C(=O)O)C(=O)O ZINC000027520059 FD Annotated Anodyne C/C(=C\c1ncco1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O ZINC000027521108 FD Annotated Anodyne CC(=O)NN1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027523431 FD Annotated Anodyne CC(=O)NN1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027523627 FD Annotated Anodyne CC(=O)NN1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027523628 FD Annotated Anodyne O=C(O)C1=CCS[C@@H]2[C@H](Nc3cc[n+](Cc4ccccc4)cc3)C(=O)N12 ZINC000027524123 FD Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCCC4)c(F)cc3c1=O)[S@](=O)CC2 ZINC000027524359 FD Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCCC4)c(F)cc3c1=O)[S@@](=O)CC2 ZINC000027524360 FD Annotated Anodyne O=C(O)c1cn2c3c(c(N4CCCC4)c(F)cc3c1=O)S(=O)(=O)CC2 ZINC000027524497 FD Annotated Anodyne O=C(O)c1c2n(c3cc(N4CCNCC4)c(Cl)cc3c1=O)CS2 ZINC000027524850 FD Annotated Anodyne CCC(=O)NN1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027525085 FD Annotated Anodyne CCC(=O)NN1N[C@@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027525087 FD Annotated Anodyne CCC(=O)NN1N[C@H](c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCO3 ZINC000027525089 FD Annotated Anodyne O=C(O)c1cn2c3c(c(Cl)c(N4CCNCC4)cc3c1=O)SCC2 ZINC000027525822 FD Annotated Anodyne CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)nc3)o2)cn1 ZINC000027546732 FD Annotated Mild C[C@@]1(CO)COc2c(NC(CO)CO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027557666 FD Annotated Clean C[C@]1(CO)COc2c(NC(CO)CO)ccc(C(=O)c3ccccc3)c2N1 ZINC000027557668 FD Annotated Clean COC1(C(=O)CC(=O)OCc2ccc3c(ccc(=O)n3C)c2)CCOCC1 ZINC000027560096 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3CC[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027560533 FD Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000027560746 FD Annotated Anodyne Cc1c(F)c(N2C[C@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2C(C)(C)C ZINC000027563419 FD Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2[C@@H](C)F ZINC000027564255 FD Annotated Anodyne Cc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2[C@H](C)F ZINC000027564257 FD Annotated Anodyne COc1ccccc1OC[C@@H]1SCC[N+]1(C(=O)CS)C(=O)CS ZINC000027564334 FD Annotated Mild COc1ccccc1OC[C@H]1SCC[N+]1(C(=O)CS)C(=O)CS ZINC000027564336 FD Annotated Mild COc1ccccc1OC[C@@H]1N(C(=O)CSC(C)=O)CC[S@]1=O ZINC000027564510 FD Annotated Anodyne COc1ccccc1OC[C@H]1N(C(=O)CSC(C)=O)CC[S@]1=O ZINC000027564512 FD Annotated Anodyne COc1ccccc1OC[C@@H]1N(C(=O)CSC(C)=O)CC[S@@]1=O ZINC000027564514 FD Annotated Anodyne COc1ccccc1OC[C@H]1N(C(=O)CSC(C)=O)CC[S@@]1=O ZINC000027564516 FD Annotated Anodyne CCc1c(F)c(N2CC[C@H](N)C2)nc2c1c(=O)c(C(=O)O)cn2C1CC1 ZINC000027564686 FD Annotated Anodyne CN(C)CCNc1ccc2c3c(nn2CCO)-c2cnccc2C(=O)c13 ZINC000027622332 FD Annotated Clean CN(C)C(=O)c1cc(/C=C/S(N)(=O)=O)cc(C(=O)c2ccccc2)c1 ZINC000027624983 FD Annotated Anodyne CNCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13 ZINC000027628871 FD Annotated Clean CN(C)CCn1nc2c3c(c(NCCCN)ccc31)C(=O)c1ccncc1-2 ZINC000027629909 FD Annotated Clean COc1cccc2c1C(=N)c1c(O)ccc(NCCNCCO)c1C2=O ZINC000027630021 FD Annotated Clean CN(C)CCn1nc2c3c(c(NCCO)ccc31)C(=O)c1ccncc1-2 ZINC000027630755 FD Annotated Clean O=C(O)c1cn(-c2nccs2)c2nc(-n3ccnc3)c(F)cc2c1=O ZINC000027632346 FD Annotated Anodyne CNCCNc1ccc2c3c(nn2CCNC)-c2cnccc2C(=O)c13 ZINC000027635381 FD Annotated Clean CC(=O)OC[C@]12CC[C@H](C)C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2 ZINC000027637595 FD Annotated Anodyne NCCSc1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1nccs1 ZINC000027640161 FD Annotated Anodyne CC1=C(NCCCN2CCN(CCCN)CC2)C(=O)c2ccccc2C1=O ZINC000027643274 FD Annotated Mild CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1C(=O)C[C@@]2(C)[C@]12CO2 ZINC000027644003 FD Annotated Anodyne N[C@@H]1CCN(c2cc3c(cn2)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000027645451 FD Annotated Anodyne N[C@H]1CCN(c2cc3c(cn2)c(=O)c(C(=O)O)cn3-c2nccs2)C1 ZINC000027645457 FD Annotated Anodyne Cc1c(O)c(O)c2c(c1O)C(=O)C(SCCO)=C(SCCO)C2=O ZINC000027646215 FD Annotated Mild CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c(O)c3cccnc3nc12 ZINC000027647410 FD Annotated Bother CC1=C[C@@H]2O[C@@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@@]31CO1 ZINC000027650651 FD Annotated Mild CC1=C[C@H]2O[C@@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(C=O)CC1)[C@@]31CO1 ZINC000027650656 FD Annotated Mild C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]21CO1 ZINC000027650953 FD Annotated Anodyne C/C=C/C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000027650957 FD Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000027653298 FD Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O[C@H]4CCCCO4)[C@@H](O)[C@](C)([C@@]2(CO)CC1)[C@@]31CO1 ZINC000027653301 FD Annotated Anodyne C/C=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000027654917 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@@]21CO1 ZINC000027655301 FD Annotated Mild C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000027655304 FD Annotated Mild Cc1c(CSC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@@H]3[C@H]2C)ccc[n+]1C ZINC000027658022 FD Annotated Anodyne Cc1c(CSC2=C(C(=O)O)N3C(=O)[C@H]([C@H](C)O)[C@@H]3[C@H]2C)ccc[n+]1C ZINC000027658024 FD Annotated Anodyne Cc1c(CSC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3[C@H]2C)ccc[n+]1C ZINC000027658026 FD Annotated Anodyne Cc1c(CSC2=C(C(=O)O)N3C(=O)[C@H]([C@H](C)O)[C@H]3[C@H]2C)ccc[n+]1C ZINC000027658028 FD Annotated Anodyne CN(C)CCNC(=O)C1=CC=C([N+](=O)[O-])[C@H]2C(=O)c3ccccc3N=C12 ZINC000027704857 FD Annotated Anodyne CN(C)CCNC(=O)c1cccc2c(=O)c3cc([N+](=O)[O-])ccc3[nH]c12 ZINC000027704861 FD Annotated Bother CN(C)CCNC(=O)c1cccc2c(=O)c3ccc([N+](=O)[O-])cc3[nH]c12 ZINC000027707060 FD Annotated Bother CN(C)CCNC(=O)c1ccc([N+](=O)[O-])c2c(O)c3cccnc3nc12 ZINC000027710100 FD Annotated Bother C=C1[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027722711 FD Annotated Mild C=C1[C@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C(C(=O)O)=CC1(C)C ZINC000027722718 FD Annotated Mild COc1ccc(-c2[nH]c(NCCN3CCOCC3)nc(=O)c2C#N)cc1 ZINC000027724022 FD Annotated Mild N#Cc1c(-c2ccc(F)cc2)[nH]c(NCCCN2CCOCC2)nc1=O ZINC000027730863 FD Annotated Mild Cc1ccc(-c2[nH]c(NCCCN3CCOCC3)nc(=O)c2C#N)cc1 ZINC000027731687 FD Annotated Mild Cc1cc(NC(=O)C2=C(O)c3sccc3S(=O)(=O)N2C)nc(C)n1 ZINC000027734631 FD Annotated Anodyne CS(=O)(=O)c1ccc(OCCCNc2nc(N)nc(O)c2N=O)cc1 ZINC000027738963 FD Annotated Anodyne CC(C)(C)c1oc(=O)oc1COC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1 ZINC000027752711 FD Annotated Clean CC(C)(C)c1oc(=O)oc1COC(=O)[C@](C)(N)Cc1ccc(O)c(O)c1 ZINC000027752720 FD Annotated Clean C[n+]1ccn(C[C@@H](O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1 ZINC000027760087 FD Annotated Anodyne C[n+]1ccn(C[C@H](O)c2ccc(NS(=O)(=O)C(F)(F)F)cc2)c1 ZINC000027760096 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@H]21)OCO5 ZINC000027853630 FD Annotated Anodyne O=C1[C@@H]2[C@H](CO)CO[C@@H](C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000027853724 FD Annotated Anodyne CCC1(CCC/C=C/I)C(=O)NC(=O)NC1=O ZINC000027854730 FD Annotated Anodyne O=C1[C@@H]2OCCC[C@@](O)(C(=O)N2Cc2ccccc2)N1Cc1ccccc1 ZINC000027858539 FD Annotated Anodyne O=C(CO)N1[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027858973 FD Annotated Anodyne O=C(CO)N1[C@@H]2Cc3cc4c(cc3[C@H]1Cc1cc3c(cc12)OCO3)OCO4 ZINC000027858979 FD Annotated Anodyne CC(C)(C)c1cc(I)c(OCC(N)=O)c(CN)c1 ZINC000027859222 FD Annotated Anodyne CCCCCCn1c2nc(=O)n(C)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000027864280 FD Annotated Mild CCOC(=O)C(=O)Nc1ccc(C(F)(F)F)c(N2CCOCC2)c1C#N ZINC000027867040 FD Annotated Mild C[N+]1(CCO[P@](=O)(O)OCCOC2CCCCC2)CCOCC1 ZINC000027874609 FD Annotated Bother NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=NCCN2 ZINC000027875418 FD Annotated Bother COc1ncccc1C(=O)NCCc1ccc([C@@H]2OC(=O)NC2=O)cc1 ZINC000027880459 FD Annotated Anodyne COc1ncccc1C(=O)NCCc1ccc([C@H]2OC(=O)NC2=O)cc1 ZINC000027880464 FD Annotated Anodyne CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2ncnn2)CC1 ZINC000027896920 FD Annotated Anodyne NCCCNc1ccc(NCCCN)c2c1C(=O)c1ccncc1C2=O ZINC000027978245 FD Annotated Clean Cc1nn2c(N)nc(Oc3ccc4c(O)cc(=O)oc4c3)nc2c1C#N ZINC000027983990 FD Annotated Mild CNCCNc1ccc(NCCNC)c2c1C(=O)c1ccncc1C2=O ZINC000027987445 FD Annotated Clean COc1cc(S(=O)(=O)Oc2ccn(C)c(=O)c2)cc(OC)c1OC ZINC000027993771 FD Annotated Anodyne COc1cc(OS(=O)(=O)c2ccc(=O)n(C)c2)cc(OC)c1OC ZINC000027996014 FD Annotated Anodyne C/C(=N\NC(=S)N1CCN(c2ccccn2)CC1)c1cccc[n+]1[O-] ZINC000027998085 FD Annotated Mild Cc1cc([C@@H](O)c2ccccc2C)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000028002206 FD Annotated Anodyne Cc1cc([C@H](O)c2ccccc2C)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000028002210 FD Annotated Anodyne Cc1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)c2ccccc2C)c1 ZINC000028005090 FD Annotated Anodyne O[C@@H](c1ccc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1Cl ZINC000028005711 FD Annotated Anodyne O[C@H]1[C@H](O)CO[C@@H](Oc2ccc([C@@H](O)c3ccccc3Cl)cc2)[C@@H]1O ZINC000028005714 FD Annotated Anodyne Cc1cc(C(=O)c2ccccc2C)ccc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O ZINC000028006449 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C(N)=O)c3)c(F)c2)C(=O)O1 ZINC000028011100 FD Annotated Anodyne CNC(=O)OCc1c2c(n3c1[C@@H](OC(C)=O)CC3)C(=O)C=C(OC)C2=O ZINC000028011670 FD Annotated Mild CNC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C=C(OC)C2=O ZINC000028011675 FD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000028013852 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@H](N(C)C)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000028013857 FD Annotated Anodyne Cc1nnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 ZINC000028014725 FD Annotated Anodyne O=S(=O)(Nc1cccc(F)c1)NS(=O)(=O)Nc1cccc(F)c1 ZINC000028017734 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C(C)=O)nn3)c(F)c2)C(=O)O1 ZINC000028017956 FD Annotated Anodyne O=c1[nH]/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C\c1ccc(Cl)cc1 ZINC000028018399 FD Annotated Bother NS(=O)(=O)c1cc2c(cc1Cl)C(=O)N(Cc1ccccc1)NC2 ZINC000028020269 FD Annotated Anodyne COc1cc(C2=N[C@@H](COC(=O)[C@@H](N)CCSC)CO2)ccc1O ZINC000028086733 FD Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)NS(=O)(=O)Nc1ccc(F)cc1 ZINC000028086958 FD Annotated Anodyne O=C(NCCCCCc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)F ZINC000028086962 FD Annotated Mild O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccc(Cl)cc1 ZINC000028090133 FD Annotated Bother CC[C@@H](C)[C@H](N)C(=O)OCCN(O)C(=O)Cc1ccc(OC)c(O)c1 ZINC000028090587 FD Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCN(O)C(=O)Cc1ccc(OC)c(O)c1 ZINC000028090594 FD Annotated Anodyne CC(=O)Oc1ccc2c(c1)c1c(=O)oc(=O)[nH]c1n2Cc1ccccn1 ZINC000028094885 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1[C@@]3(CO3)[C@@]2(C)[C@@H]2OC(C)=N[C@@]21O ZINC000028094998 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@@]3(CO3)[C@@]2(C)[C@@H]2OC(C)=N[C@@]21O ZINC000028095004 FD Annotated Anodyne C[N+](C)(C)[C@@H](CSC[C@H](C#N)NC(=O)Nc1ccccc1)C(=O)O ZINC000028097941 FD Annotated Mild C[N+](C)(C)[C@H](CSC[C@H](C#N)NC(=O)Nc1ccccc1)C(=O)O ZINC000028097947 FD Annotated Mild C[N+](C)(C)[C@@H](CSC[C@@H](C#N)NC(=O)Nc1ccccc1)C(=O)O ZINC000028097952 FD Annotated Mild C[N+](C)(C)[C@H](CSC[C@@H](C#N)NC(=O)Nc1ccccc1)C(=O)O ZINC000028097959 FD Annotated Mild CCOC(=O)COC(=O)c1c(CC)[n+]([O-])c2ccc(Cl)cc2[n+]1[O-] ZINC000028099037 FD Annotated Anodyne CN1/C(=c2\s/c(=C\c3cccc[n+]3C)n(C)c2=O)Sc2ccccc21 ZINC000028100245 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000028100589 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@]12CO2 ZINC000028100594 FD Annotated Anodyne OC1COc2ccccc2CNCCNCCNCc2ccccc2OC1 ZINC000028106692 FD Annotated Anodyne CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)c1cccnc1 ZINC000028107690 FD Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3NC(=O)c1cccnc1 ZINC000028107698 FD Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@@H]3NC(=O)c1ccncc1 ZINC000028108776 FD Annotated Mild CC1=C(N2CC2)C(=O)c2nc3n(c2C1=O)CC[C@H]3NC(=O)c1ccncc1 ZINC000028108780 FD Annotated Mild COC(=O)CN1C[C@@](Cc2ccccc2)(NC(=O)c2ccccc2)C1=O ZINC000028109221 FD Annotated Anodyne COC(=O)CN1C[C@](Cc2ccccc2)(NC(=O)c2ccccc2)C1=O ZINC000028109226 FD Annotated Anodyne Cc1c(SC2CCCCC2)n(COCN2CCOCC2)c(=O)[nH]c1=O ZINC000028118401 FD Annotated Anodyne NCCCCN1C(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028118891 FD Annotated Mild NCCCCN1C(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000028118898 FD Annotated Mild Cc1c(SC2CCCCC2)n(COCN2CCNCC2)c(=O)[nH]c1=O ZINC000028137751 FD Annotated Anodyne CS(=O)(=O)c1c([C@@H]2NC(=O)NC2=O)cc(Cl)cc1C(F)(F)F ZINC000028225031 FD Annotated Anodyne CS(=O)(=O)c1c([C@H]2NC(=O)NC2=O)cc(Cl)cc1C(F)(F)F ZINC000028225035 FD Annotated Anodyne CCCCCNS(=O)(=O)c1ccc(Cl)cc1[C@@H]1NC(=O)NC1=O ZINC000028225877 FD Annotated Anodyne CCCCCNS(=O)(=O)c1ccc(Cl)cc1[C@H]1NC(=O)NC1=O ZINC000028225881 FD Annotated Anodyne CN(C)CCN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000028226702 FD Annotated Bother O=C(CCn1c(=O)oc2ncccc21)N1CCN(c2ccc(F)cc2)CC1 ZINC000028263175 FD Annotated Anodyne C[S@@](=O)CCOc1ccc(-c2cc([S@@](C)=O)c(C#N)c(=O)o2)cc1 ZINC000028352237 FD Annotated Mild C[S@@](=O)c1cc(-c2ccc(OCC[S@](C)=O)cc2)oc(=O)c1C#N ZINC000028352244 FD Annotated Mild C[S@@](=O)CCOc1ccc(-c2cc([S@](C)=O)c(C#N)c(=O)o2)cc1 ZINC000028352252 FD Annotated Mild C[S@](=O)CCOc1ccc(-c2cc([S@](C)=O)c(C#N)c(=O)o2)cc1 ZINC000028352257 FD Annotated Mild CCN(CC)C(=S)SCc1cc(O)n2nc(N)c([N+](=O)[O-])c2n1 ZINC000028352492 FD Annotated Bother COC(=O)[C@@]12C[C@H]3C[C@@H](C(C)=O)[C@@H]1NCCc1c2n(c2ccccc12)[C@H]3O ZINC000028362732 FD Annotated Anodyne N[C@H]1CCN(c2c(F)cc3c(=O)n(O)c(=O)n(C4CC4)c3c2Cl)C1 ZINC000028374421 FD Annotated Anodyne O=S(=O)(/N=C(\O)c1nc(-c2cccs2)nc(O)c1O)C(F)(F)F ZINC000028375726 FD Annotated Mild C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC[C@@]1(CO1)[C@H]2C/C=C1/C(=O)OC[C@H]1O ZINC000028377890 FD Annotated Anodyne CN[C@@H](C)[C@@H]1CCN(c2cc3c(cc2F)c(=O)n(O)c(=O)n3C2CC2)C1 ZINC000028379618 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C(/C(=O)O)[C@H](O)CO ZINC000028381332 FD Annotated Mild CC(=O)OC[C@H]1S[C@@H](n2nc(C)c(=S)nc2O)C[C@@H]1OC(C)=O ZINC000028384355 FD Annotated Anodyne COc1cc(OC)c(CCN/C(N)=N/c2nc(C)cc(C)n2)c(OC)c1 ZINC000028391131 FD Annotated Mild CC(C)(C)[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCNC1=O ZINC000028458120 FD Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3CCN(C(C)=O)CC3)cc2)c(=O)o1 ZINC000028460927 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3 ZINC000028461946 FD Annotated Mild biogenic CC(=O)NC[C@H]1CN(c2cc(F)c(N3C[C@H]4C[C@H]4C3)c(F)c2)C(=O)O1 ZINC000028465698 FD Annotated Anodyne COc1ccc2c(c1)C(=O)C[C@H](CCN1CCC3(CC1)NCNC3=O)C2 ZINC000028466030 FD Annotated Anodyne COc1ccc2c(c1)C(=O)C[C@@H](CCN1CCC3(CC1)NCNC3=O)C2 ZINC000028466034 FD Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CCS(=O)(=O)CC3)cc2)c(=O)o1 ZINC000028467706 FD Annotated Anodyne CC(=O)NCn1cc(-c2ccc(C3=CCN(C(=N)N)CC3)cc2)c(=O)o1 ZINC000028468257 FD Annotated Anodyne N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](COCc4ccccc4)C3)c[nH]c21 ZINC000028468827 FD Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@@H](O)[C@@H](COCc4ccccc4)C3)c[nH]c21 ZINC000028468830 FD Annotated Anodyne O[C@H]1CN[C@H](CN[C@H](COCc2cccc(F)c2)c2ccccc2)[C@H]1O ZINC000028469689 FD Annotated Anodyne COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H]([C@](C)(O)CO)O4 ZINC000028470089 FD Annotated Bother N[C@@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccncc4)C3)c[nH]c21 ZINC000028473231 FD Annotated Anodyne N[C@H]1N=CNc2c(CN3C[C@@H](O)[C@@H](CSc4ccncc4)C3)c[nH]c21 ZINC000028473234 FD Annotated Anodyne COc1ccc(C(=O)C[C@@H](SCC(=O)O)C(=O)O)c(OC)c1OC ZINC000028473525 FD Annotated Anodyne COc1ccc(C(=O)C[C@H](SCC(=O)O)C(=O)O)c(OC)c1OC ZINC000028473528 FD Annotated Anodyne O[C@@H]1C=C[C@@H](N(CCc2ccccc2)CCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000028474857 FD Annotated Anodyne O[C@H]1C=C[C@@H](N(CCc2ccccc2)CCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000028474860 FD Annotated Anodyne O[C@@H]1C=C[C@H](N(CCc2ccccc2)CCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000028474863 FD Annotated Anodyne O[C@H]1C=C[C@H](N(CCc2ccccc2)CCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000028474866 FD Annotated Anodyne COc1cccc2c(=O)c3c(O)cc4c(c3oc12)C[C@H]([C@@](C)(O)CO)O4 ZINC000028474967 FD Annotated Bother N=C(N)/N=N/c1ccc(NNC(=N)N)c2ncc3c(nc4sccn43)c12 ZINC000028475986 FD Annotated Clean COc1ccc(-c2ccc(=O)n(CCCCCCN=C(N)N)n2)cc1OC ZINC000028476139 FD Annotated Mild COc1cccc2c(=O)c3c(O)cc4c(c3oc12)[C@@H]1OC[C@](O)(CO)[C@@H]1O4 ZINC000028477345 FD Annotated Bother C[C@@H]1CC(=O)N1[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C=Nc2cncnc21 ZINC000028522920 FD Annotated Anodyne C[C@H]1CC(=O)N1[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1C=Nc2cncnc21 ZINC000028522921 FD Annotated Anodyne C[C@@H]1CC(=O)N1[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C=Nc2cncnc21 ZINC000028522922 FD Annotated Anodyne C[C@H]1CC(=O)N1[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C=Nc2cncnc21 ZINC000028522923 FD Annotated Anodyne CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000028523484 FD Annotated Mild CCN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C\c1ccc([N+](=O)[O-])cc1 ZINC000028523485 FD Annotated Mild CCN1C(=O)[C@@H](CC(=O)O)S/C1=N\N=C\c1ccccc1[N+](=O)[O-] ZINC000028523889 FD Annotated Mild CCN1C(=O)[C@H](CC(=O)O)S/C1=N\N=C\c1ccccc1[N+](=O)[O-] ZINC000028523890 FD Annotated Mild NC(N)=NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1 ZINC000028524740 FD Annotated Mild CC(=O)NCn1cc(-c2ccc(-c3cncc(C(=O)O)c3)cc2)c(=O)o1 ZINC000028524776 FD Annotated Anodyne C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCOCC2)c1O ZINC000028527175 FD Annotated Reactive C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(C)CC2)c1O ZINC000028527960 FD Annotated Reactive O=C(CCC(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO ZINC000028529017 FD Annotated Bother CN1CCN(/N=C\c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000028530727 FD Annotated Mild Cc1nc(N2CCN(C(=O)c3ccccn3)CC2)c2c(n1)c(C)nn2C ZINC000028557493 FD Annotated Anodyne CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3c(cc2CC1=O)OCCO3 ZINC000028566370 FD Annotated Anodyne CCCC[C@@H](/C=N/NC(=O)NCC(=O)OCC)NC(=O)OC(C)(C)C ZINC000028569687 FD Annotated Reactive CCOC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570757 FD Annotated Bother CCOC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 ZINC000028570758 FD Annotated Bother O=[N+]([O-])c1ccc([C@@H]2OC[C@H]3O[C@@H](c4ccccc4)[C@H](O)[C@@H](O)[C@@H]3O2)cc1 ZINC000028571470 FD Annotated Bother O=Cc1c(N2CCOCC2)oc2cc(N3CCOCC3)c(F)cc2c1=O ZINC000028571684 FD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@@H](C)CO)=C/C[C@H]12 ZINC000028572632 FD Annotated Mild C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)[C@H](C)CO)=C/C[C@H]12 ZINC000028572633 FD Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028634953 FD Annotated Mild CC(C)C[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O ZINC000028634976 FD Annotated Mild CNC(=O)N1CCN(Cc2ccnc(Nc3ncc(C#N)s3)c2C)CC1 ZINC000028636306 FD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(N3Cc4cn(C)nc4C3)c(F)c2)C(=O)O1 ZINC000028637831 FD Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](COC(=O)CCC)[C@]1(O)CCC(=O)[C@@]21C ZINC000028639024 FD Annotated Mild CCN(CC)c1nc2nc(SCC(=O)NCCCN)nc-2c(C)[nH]1 ZINC000028639781 FD Annotated Anodyne O=C(Nc1ccn([C@@H]2CO[C@H](CO)O2)c(=O)n1)c1ccc(Cl)cc1 ZINC000028644118 FD Annotated Anodyne CO[C@@]1(CC(C)C)NC(=O)[C@H](CCC(N)=O)n2c1nc1ccccc1c2=O ZINC000028644222 FD Annotated Anodyne C=CCSc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)o1 ZINC000028647618 FD Annotated Mild O=c1c2ccccc2n2c(CN3CCNCC3)nnc2n1Cc1ccccc1 ZINC000028648719 FD Annotated Anodyne CC(=O)OCO/N=[N+](\[O-])N(C)CCOC(=O)c1ccccc1OC(C)=O ZINC000028649090 FD Annotated Clean CCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649518 FD Annotated Anodyne CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1 ZINC000028649525 FD Annotated Anodyne CSc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649542 FD Annotated Anodyne CC(C)Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649546 FD Annotated Anodyne CCCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649549 FD Annotated Anodyne C#CCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] ZINC000028649573 FD Annotated Mild COCCN1CC(c2cc(OCc3ccc(F)cc3)ncn2)=C(O)C1=O ZINC000028649611 FD Annotated Anodyne C=C1C(=O)[C@]23[C@H](O)[C@@H](O)[C@H]1C[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000028651453 FD Annotated Mild CCNC(=S)N/N=C1\C(=O)N(CN2CCCCC2)c2ccc(F)cc21 ZINC000028651477 FD Annotated Mild C=CCN1C(=O)[C@H](C)S/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000028651614 FD Annotated Mild C=CCN1C(=O)[C@@H](C)S/C1=N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000028651618 FD Annotated Mild C=CCNc1nc(SC)nc(CCO)c1I ZINC000028653477 FD Annotated Mild O=c1c2ccc(Cl)cc2[nH]c2c(O)nn(Cc3cnccn3)c(=O)c12 ZINC000028655944 FD Annotated Bother COc1c(N2CC[C@@H](CN)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000028703388 FD Annotated Anodyne COc1c(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)ccc(C#N)c1C(F)(F)F ZINC000028704401 FD Annotated Mild O=S(=O)(O)c1ccc(O)c(/C=N/NC(=S)NC2CCCCC2)c1 ZINC000028705992 FD Annotated Mild CCC1(O)CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1 ZINC000028708286 FD Annotated Anodyne COC1CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1 ZINC000028708290 FD Annotated Anodyne COC1(C)CN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1 ZINC000028708292 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CC(C)(F)C3)c(F)c2)C(=O)O1 ZINC000028708296 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(O)CC3)c(F)c2)C(=O)O1 ZINC000028708298 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]1(COC3=O)C(=O)C=CC(C)(C)[C@H]1C(=O)O ZINC000028708337 FD Annotated Mild O=S(=O)(c1cnc(Cl)c(Br)c1)N1C[C@H]2C[C@@H]1CN2 ZINC000028708981 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(C(=O)/C=C/c3ncc[nH]3)c(F)c2)C(=O)O1 ZINC000028709419 FD Annotated Mild Cc1cc(C)c2nc(NC[C@@H](O)CO)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710371 FD Annotated Anodyne Cc1cc(C)c2nc(NC[C@H](O)CO)n(Cc3nc(C)ccc3O)c2c1 ZINC000028710372 FD Annotated Anodyne O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO)nc2)c(F)c1 ZINC000028711429 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000028754670 FD Annotated Anodyne N[C@@H](CNC(=O)C1CCC2(CC1)CCN(c1ccncc1)CC2)C(=O)O ZINC000028755607 FD Annotated Anodyne COCO[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@]35[C@@H](C[C@@H](C(C)(C)C)[C@]125)OC4=O ZINC000028756884 FD Annotated Anodyne O=C1c2ccccc2-c2nn(CCNCCO)c3ccc(NCCO)c1c23 ZINC000028757495 FD Annotated Clean NCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccccc1-2 ZINC000028757504 FD Annotated Clean CC(=O)O[C@@H]1C(=O)O[C@H]2O[C@@]34CCC[C@]35[C@@H](C[C@@H](C(C)(C)C)[C@]125)OC4=O ZINC000028758104 FD Annotated Anodyne NCCNc1ccc2c3c(nn2CCO)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028758113 FD Annotated Clean COCCn1nc2c3c(c(NCCN)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758152 FD Annotated Clean Cn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2 ZINC000028758388 FD Annotated Clean NCCNc1ccc2c3c(nn2CCNCCO)-c2ccccc2C(=O)c13 ZINC000028758790 FD Annotated Clean NCCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028758823 FD Annotated Clean O=C1c2ccccc2-c2nn(CCO)c3ccc(NCCNCCO)c1c23 ZINC000028758943 FD Annotated Clean CNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13 ZINC000028759395 FD Annotated Clean CC[C@@H]1NC(=O)OC12CCN(C[C@@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759959 FD Annotated Anodyne CC[C@H]1NC(=O)OC12CCN(C[C@@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759961 FD Annotated Anodyne CC[C@@H]1NC(=O)OC12CCN(C[C@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759964 FD Annotated Anodyne CC[C@H]1NC(=O)OC12CCN(C[C@H](O)[C@@H]1COc3ccccc3O1)CC2 ZINC000028759966 FD Annotated Anodyne CCN1CC2(CCN(C[C@@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028760918 FD Annotated Anodyne CCN1CC2(CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028760920 FD Annotated Anodyne CCN1CC2(CCN(C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028760922 FD Annotated Anodyne CCN1CC2(CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O ZINC000028760923 FD Annotated Anodyne O=c1cnn(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(=O)[nH]1 ZINC000028762307 FD Annotated Anodyne C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1 ZINC000028764142 FD Annotated Anodyne C[C@H](c1ccccc1)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1 ZINC000028764143 FD Annotated Anodyne CCN(CCCn1cc[n+](C)c1/C=N/O)S(=O)(=O)c1ccccc1 ZINC000028768592 FD Annotated Mild CCCN(CCn1cc[n+](C)c1/C=N/O)S(=O)(=O)c1ccccc1 ZINC000028769527 FD Annotated Mild C[n+]1ccn(CCC[n+]2cccc(C(=O)c3ccccc3)c2)c1/C=N/O ZINC000028770464 FD Annotated Mild CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3CCS2)CC1 ZINC000028772034 FD Annotated Anodyne CCOP(=O)(CCN(CCOC(C)=O)CCOC(C)=O)OCC ZINC000028817033 FD Annotated Anodyne CCS(=O)(=O)CCNc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C)n1 ZINC000028821439 FD Annotated Bother Cc1nc(NC2CCS(=O)(=O)CC2)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821470 FD Annotated Bother Cc1nc(N[C@H]2CCS(=O)(=O)[C@@H]2C)nc(-n2ccnc2C)c1[N+](=O)[O-] ZINC000028821496 FD Annotated Bother CO/N=C(/C(=O)OC)c1cccc(Cn2cc(-c3cccnc3)nn2)c1 ZINC000028822384 FD Annotated Mild COC(=O)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCCN ZINC000028822798 FD Annotated Anodyne CCOC(=O)CO/N=C1/c2ccncc2C(=O)c2c1ccn2CCN(C)C ZINC000028824267 FD Annotated Mild CCOC(=O)CO/N=C1/c2ccncc2C(=O)c2cn(CCN(C)C)cc21 ZINC000028824276 FD Annotated Mild NC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000028825356 FD Annotated Anodyne NC(=O)[C@H]1CN(c2cc(F)c(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1 ZINC000028825358 FD Annotated Anodyne CCOC(=O)C(=Cc1cc(=O)n(C)nc1-c1ccccc1)C(=O)OCC ZINC000028825816 FD Annotated Anodyne CCOC(=O)C(=Cc1cnn(Cc2ccccc2)c(=O)c1)C(=O)OCC ZINC000028825829 FD Annotated Anodyne COc1ccc2c(c1)[n+]([O-])c(C(=O)c1ccco1)c(C(F)(F)F)[n+]2[O-] ZINC000028861822 FD Annotated Anodyne CCCCO/C=C/c1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000028862620 FD Annotated Anodyne CCCCO/C=C/c1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000028862622 FD Annotated Anodyne O=C1C=C(c2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CCC1 ZINC000028862627 FD Annotated Mild O=C1C=C(c2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CCC1 ZINC000028862629 FD Annotated Mild O=C1CC[C@@H](N2C(=O)c3ccc(/C=C/[C@@H]4CC=CO4)cc3C2=O)C(=O)N1 ZINC000028862642 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(/C=C/[C@@H]4CC=CO4)cc3C2=O)C(=O)N1 ZINC000028862644 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccc(/C=C/[C@H]4CC=CO4)cc3C2=O)C(=O)N1 ZINC000028862646 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(/C=C/[C@H]4CC=CO4)cc3C2=O)C(=O)N1 ZINC000028862648 FD Annotated Anodyne CCCCO/C=C/c1ccc2c(c1)C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O ZINC000028862650 FD Annotated Anodyne CCCCO/C=C/c1ccc2c(c1)C(=O)N([C@H]1CCC(=O)NC1=O)C2=O ZINC000028862651 FD Annotated Anodyne O=C1C=C(c2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CCC1 ZINC000028862656 FD Annotated Mild O=C1C=C(c2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CCC1 ZINC000028862658 FD Annotated Mild O=C(N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)Nc1nnc(S)s1 ZINC000028863676 FD Annotated Reactive O=c1cc(Cc2c(F)cccc2F)nc(N2CCC3(CC2)OCCO3)[nH]1 ZINC000028866186 FD Annotated Anodyne CC1(C)COCN1c1nc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C1CC1 ZINC000028868408 FD Annotated Bother O/N=C\c1cc[n+](COCCCCOC[n+]2ccc(/C=N\O)cc2)cc1 ZINC000028872338 FD Annotated Mild O/N=C\c1cccc[n+]1COCCCCOC[n+]1ccccc1/C=N\O ZINC000028872342 FD Annotated Mild CC1=CC(C(=O)NN2CCCCC2)=NS(=O)(=O)N1Cc1ccccc1 ZINC000028876166 FD Annotated Anodyne CC1=CC(C(=O)NN2CCCCC2)=NS(=O)(=O)N1C1CCCCC1 ZINC000028876184 FD Annotated Anodyne CCCCCCN1C(C)=CC(C(=O)NN2CCCCC2)=NS1(=O)=O ZINC000028876187 FD Annotated Anodyne C/C=C/C(=O)OCC1=C[C@H]2O[C@](C)(OC)[C@@](C)(OC)O[C@@H]2[C@H](F)C1=O ZINC000028891988 FD Annotated Mild CCCN(CCO[N+](=O)[O-])C(=O)COC(=O)c1ccccc1OC(C)=O ZINC000028948275 FD Annotated Anodyne CCCN(CCOC(=O)c1ccccc1OC(C)=O)CCO[N+](=O)[O-] ZINC000028948290 FD Annotated Anodyne CN1C(N/N=C\c2ccc([N+](=O)[O-])s2)=NS(=O)(=O)c2ccccc21 ZINC000028951256 FD Annotated Mild CCN1C(N/N=C\c2ccc([N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 ZINC000028951261 FD Annotated Mild COC(=O)c1ccc2c(c1)c(/C=C1\C(=O)NN=C1c1cnns1)cn2C ZINC000028955003 FD Annotated Clean COc1ccc(OC)c2c1c(/C=C1\C(=O)NN=C1c1cnns1)cn2C ZINC000028955070 FD Annotated Clean N[C@H]1CN(Cc2ccc(-c3csnn3)cc2)C[C@H]1C(=O)N1CCCC1 ZINC000028955073 FD Annotated Anodyne CN(C)CCNC(=O)c1ccc2c(CCCN)cc3cc[nH]c(=O)c3c2c1 ZINC000028955884 FD Annotated Bother CCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CN(C(=O)NCCN)CC3 ZINC000028957013 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N(C)C3CCNCC3)c(F)c2)C(=O)O1 ZINC000028959057 FD Annotated Anodyne CCOP(=O)(OCC)OCn1c(=O)c(F)cn([C@@H]2CCCO2)c1=O ZINC000028966484 FD Annotated Anodyne CCOP(=O)(OCC)OCn1c(=O)c(F)cn([C@H]2CCCO2)c1=O ZINC000028966489 FD Annotated Anodyne COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N[C@@H]1c1ccccn1 ZINC000028970597 FD Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccccn2)N[C@@H]1c1ccccn1 ZINC000028970599 FD Annotated Anodyne COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccn2)N[C@@H]1c1ccccn1 ZINC000028970604 FD Annotated Anodyne COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@H](c2ccccn2)N[C@@H]1c1ccccn1 ZINC000028970609 FD Annotated Anodyne N=C(NO)c1ccc(N2CCN(c3ccc(C(=N)NO)cc3)CC2)cc1 ZINC000028972446 FD Annotated Anodyne COC(=O)C1=CO[C@@H]2O[C@H]3/C(=C\c4ccc(O)cc4)C(=O)O[C@]34C=C[C@H]1[C@H]24 ZINC000028975230 FD Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2cc(O)ccc2O)s1 ZINC000028975835 FD Annotated Mild Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C/c2cccc(O)c2O)s1 ZINC000028975848 FD Annotated Mild NC(=O)c1[nH]c2ccc(C#CC3CC3)cc2c1S(=O)(=O)N1CCCC1 ZINC000029038968 FD Annotated Mild C[C@@]12C[C@H](O)[C@@]3(O)[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC1=O)C2 ZINC000029041831 FD Annotated Anodyne C[C@@]12CC[C@]3(O)[C@@](CC1=O)(C2)C(=O)C[C@H]1[C@@]3(C)[C@@H](O)CC[C@@]1(C)C(=O)O ZINC000029041872 FD Annotated Anodyne COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@H](O)C=C1CCN3C(=O)C2=O ZINC000029042025 FD Annotated Anodyne O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@@](O)(CO)CCl)O3 ZINC000029042036 FD Annotated Reactive O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@@H]([C@](O)(CO)CCl)O3 ZINC000029042038 FD Annotated Reactive O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@@](O)(CO)CCl)O3 ZINC000029042039 FD Annotated Reactive O=c1c2c(O)cccc2oc2ccc3c(c12)C[C@H]([C@](O)(CO)CCl)O3 ZINC000029042041 FD Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@H](C[C@@]3(C)O[C@@H]3[C@]3(O)C=C(C)C(=O)[C@H]1O3)OC2=O ZINC000029042240 FD Annotated Mild C[C@@]12CC[C@@]3(O)[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(CC1=O)C2 ZINC000029042282 FD Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@]13CC(=O)[C@](CO)(C1)[C@H](O)C[C@@H]23 ZINC000029042326 FD Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H](O)[C@]13CC(=O)[C@](CO)(C1)[C@H](O)C[C@H]23 ZINC000029042328 FD Annotated Anodyne C[C@]12C[C@H](O)[C@@]3(O)[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@@]3(C1)[C@H](O)C2=O ZINC000029042367 FD Annotated Anodyne C[C@@]12C[C@H](O)[C@@]3(O)[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C[C@@H](O)[C@]3(CC1=O)C2 ZINC000029042372 FD Annotated Anodyne COC(=O)Cn1nnc(CNC(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000029042957 FD Annotated Anodyne CCS(=O)(=O)CCSc1nnc(-c2ncc([N+](=O)[O-])n2C)s1 ZINC000029043821 FD Annotated Bother NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(F)c3)c(O)c2)nc1C(N)=O ZINC000029056790 FD Annotated Anodyne NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(O)c3)cc2)nc1C(N)=O ZINC000029056843 FD Annotated Clean NC(=O)Nc1cn(-c2ccc(-c3ccc(O)c(F)c3)cc2)nc1C(N)=O ZINC000029056891 FD Annotated Anodyne COc1cc(-c2ccc(-n3cc(NC(N)=O)c(C(N)=O)n3)cc2)ccc1O ZINC000029056908 FD Annotated Anodyne NC(=O)Nc1cn(-c2ccc(-c3ccc(O)cc3)c(F)c2)nc1C(N)=O ZINC000029056993 FD Annotated Anodyne O=C(O)c1nn2c(O)nc3cc(Cl)c(-n4cnnc4)cc3c2c1C(=O)O ZINC000029060309 FD Annotated Anodyne CC(=O)O[C@@H]1C#C/C=C\C#CC[C@H]2C(=O)N(C(=O)NCc3ccccc3)[C@H]12 ZINC000029062671 FD Annotated Mild CCOC(=O)C[S@@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000029123257 FD Annotated Anodyne CCOC(=O)C[S@](=O)c1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000029123258 FD Annotated Anodyne CC(C)C(=O)[C@H]1[C@@H](O)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@]213 ZINC000029126374 FD Annotated Anodyne O=S1(=O)C[C@@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128671 FD Annotated Anodyne O=S1(=O)C[C@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128672 FD Annotated Anodyne O=c1ccc2c(Br)c(S(=O)(=O)N3CCNCC3)ccc2o1 ZINC000029131974 FD Annotated Anodyne O=c1ccc2cc(S(=O)(=O)N3CCNCC3)cc(Br)c2o1 ZINC000029131976 FD Annotated Anodyne O=C(CCCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133309 FD Annotated Anodyne O=C(CCCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133311 FD Annotated Anodyne O=C(CCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133315 FD Annotated Anodyne O=C(CCC[C@H](CO[N+](=O)[O-])O[N+](=O)[O-])Oc1ccccc1C(=O)O ZINC000029133317 FD Annotated Anodyne C=C(C(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](C)O ZINC000029134056 FD Annotated Mild C=C(C(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=CC[C@H]2O)[C@H]2OC(=O)C(=C)[C@H]12)[C@H](C)O ZINC000029134058 FD Annotated Mild c1ccc2c(c1)O[C@@H](N1CCOCC1)c1cnc(N3CCOCC3)nc1-2 ZINC000029209827 FD Annotated Anodyne c1ccc2c(c1)O[C@H](N1CCOCC1)c1cnc(N3CCOCC3)nc1-2 ZINC000029209832 FD Annotated Anodyne CN(C)CCS(=O)(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000029217948 FD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3ncc4ccccc4n3)[C@H](C)[C@H]12 ZINC000029219319 FD Annotated Anodyne CCCCC[C@@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029229187 FD Annotated Reactive CCCCC[C@H]1O[C@@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029229194 FD Annotated Reactive CCCCC[C@@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029229200 FD Annotated Reactive CCCCC[C@H]1O[C@H]1[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O ZINC000029229206 FD Annotated Reactive NCC(=O)NCc1nncn1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000029240621 FD Annotated Anodyne O=C(C[C@@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO ZINC000029251232 FD Annotated Bother O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO ZINC000029251240 FD Annotated Bother NS(=O)(=O)c1cscc1C(=O)NCCCOc1cccc(C=O)c1 ZINC000029253613 FD Annotated Anodyne CSCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)n2)cs1 ZINC000029309621 FD Annotated Mild CC(=O)NCc1cccc(-c2csc(N/C(N)=N/CCN(C)C)n2)n1 ZINC000029309688 FD Annotated Mild N=C(N)Nc1nc(O)c(I)c(-c2ccccc2)n1 ZINC000029315521 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O ZINC000029321813 FD Annotated Anodyne C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)O ZINC000029323703 FD Annotated Anodyne CO[C@@H]1OC(C(=O)N(C)CCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029330231 FD Annotated Mild CO[C@H]1OC(C(=O)N(C)CCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029330236 FD Annotated Mild COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCO)cc(OC)c1C2=O ZINC000029338249 FD Annotated Clean CCNC(=O)OCc1c2c(n3c1[C@@H](O)CCC3)C(=O)C(C)=C(OC)C2=O ZINC000029344292 FD Annotated Mild CCNC(=O)OCc1c2c(n3c1[C@H](O)CCC3)C(=O)C(C)=C(OC)C2=O ZINC000029344296 FD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCCC3)[C@H](C)[C@H]12 ZINC000029345442 FD Annotated Anodyne Cc1cc(NS(=O)(=O)c2ccccc2)cc(OCCCN=C(N)N)c1 ZINC000029345920 FD Annotated Mild CO[C@@H]1OC(C(=O)NCC[N+](C)(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029346158 FD Annotated Mild CO[C@H]1OC(C(=O)NCC[N+](C)(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000029346161 FD Annotated Mild CCCCc1ccc(C(=O)COC2=C(O)C(=O)O[C@@H]2[C@@H](O)CO)cc1 ZINC000029388679 FD Annotated Anodyne CCCCc1ccc(C(=O)COC2=C(O)C(=O)O[C@H]2[C@@H](O)CO)cc1 ZINC000029388682 FD Annotated Anodyne CCCCc1ccc(C(=O)COC2=C(O)C(=O)O[C@@H]2[C@H](O)CO)cc1 ZINC000029388685 FD Annotated Anodyne CCCCc1ccc(C(=O)COC2=C(O)C(=O)O[C@H]2[C@H](O)CO)cc1 ZINC000029388688 FD Annotated Anodyne Cc1cc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2cc1Cl ZINC000029389696 FD Annotated Anodyne CCCN(C)C(=S)SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029389957 FD Annotated Anodyne CCOc1ccc2cc(CP(=O)(O)O)c(C[C@@H](N)C(=O)O)nc2c1 ZINC000029390512 FD Annotated Anodyne O=C(Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O)c1ccco1 ZINC000029391243 FD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SC(=S)N3CCCCC3)[C@H](C)[C@H]12 ZINC000029392438 FD Annotated Anodyne CCN(CC)C(=S)SC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C ZINC000029392576 FD Annotated Anodyne CCCNC(=O)NS(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1 ZINC000029396530 FD Annotated Anodyne Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029407827 FD Annotated Bother Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029407830 FD Annotated Bother Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029408409 FD Annotated Bother Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(=O)O)NC(=O)C(F)(F)F ZINC000029408412 FD Annotated Bother Cc1c(N2CCN[C@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029412790 FD Annotated Anodyne Cc1c(N2CCN[C@@H](C)C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029412793 FD Annotated Anodyne C[C@@H]1CC[C@@H](C)C1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000029413393 FD Annotated Anodyne C[C@H]1CC[C@@H](C)C1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000029413396 FD Annotated Anodyne C[C@H]1CC[C@H](C)C1OC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000029413400 FD Annotated Anodyne CN1CCN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1 ZINC000029413927 FD Annotated Anodyne CN1c2nc(-c3ccccn3)c(-c3ccccn3)nc2C(N)=NS1(=O)=O ZINC000029416743 FD Annotated Anodyne CC1=C(C(=O)O)N[C@@H]([C@@H]2NC(=O)[C@@H](c3ccccc3)N=C2S)SC1 ZINC000029464103 FD Annotated Anodyne CC1=C(C(=O)O)N[C@@H]([C@H]2NC(=O)[C@@H](c3ccccc3)N=C2S)SC1 ZINC000029464106 FD Annotated Anodyne CC1=C(C(=O)O)N[C@@H]([C@@H]2NC(=O)[C@H](c3ccccc3)N=C2S)SC1 ZINC000029464110 FD Annotated Anodyne CC1=C(C(=O)O)N[C@@H]([C@H]2NC(=O)[C@H](c3ccccc3)N=C2S)SC1 ZINC000029464113 FD Annotated Anodyne CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@H]2C1)S(=O)(=O)CCO ZINC000029464180 FD Annotated Anodyne CCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 ZINC000029466539 FD Annotated Bother CN([C@@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO ZINC000029469376 FD Annotated Anodyne COC(=O)SNN(C)S(=O)(=O)c1ccc(Br)cc1 ZINC000029470934 FD Annotated Anodyne CN([C@H]1CCN2CCc3c(oc4ccccc34)[C@@H]2C1)S(=O)(=O)CCO ZINC000029471866 FD Annotated Anodyne CC(=O)N1C(=O)[C@@H](C)[C@H]2[C@@H]1CCN2S(=O)(=O)CCc1ccccc1 ZINC000029479008 FD Annotated Anodyne CN1Cc2cc(C(=O)NCc3ccccn3)ccc2N[C@@H](CC(=O)O)C1=O ZINC000029479816 FD Annotated Anodyne COCCN(CCOC)Cc1cc2sc(S(N)(=O)=O)cc2s1 ZINC000029482757 FD Annotated Anodyne COCCN(CCOC)Cc1cc2cc(S(N)(=O)=O)sc2s1 ZINC000029487725 FD Annotated Anodyne O=C(O)CCN1Cc2ccc(C(=O)NCCC3CCNCC3)cc2C1=O ZINC000029546844 FD Annotated Anodyne CNC(=O)OCc1c2c(n(C)c1COC(=O)NC)C(O)=C(C)C(=N)C2=O ZINC000029548115 FD Annotated Clean Cc1c(N2CC[C@@H](N)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000029548637 FD Annotated Anodyne Cc1c(N2CC[C@H](N)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000029548641 FD Annotated Anodyne Cc1c(N2CCN[C@H](C)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000029552615 FD Annotated Anodyne Cc1c(N2CCN[C@@H](C)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000029552616 FD Annotated Anodyne COc1cccc(-c2nc(N)[nH]c(=O)c2I)c1OC ZINC000029553181 FD Annotated Anodyne CNC(=O)OCc1c2c(n(C)c1COC(C)=O)C(=O)C(C)=C(OC)C2=O ZINC000029553559 FD Annotated Mild Cc1c(N2C[C@H](N)[C@@H](F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000029563045 FD Annotated Anodyne N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C#Cc2ccccc2)C1 ZINC000029563189 FD Annotated Mild Cc1ncc([N+](=O)[O-])n1CCON(C)CCCCn1ccnc1[N+](=O)[O-] ZINC000029565809 FD Annotated Bother NC(N)=Nc1nc(C(=O)Nc2nc3cc([N+](=O)[O-])ccc3s2)cs1 ZINC000029568715 FD Annotated Mild C[C@@H](CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N(CCC1CCNCC1)C2 ZINC000029569281 FD Annotated Anodyne C[C@H](CC(=O)O)NC(=O)c1ccc2c(c1)C(=O)N(CCC1CCNCC1)C2 ZINC000029569283 FD Annotated Anodyne COC(=O)[C@]1(C)N=C2C(=O)C=C3N(C(=O)OC(C)(C)C)C[C@H]4C[C@@]34C2=C1O ZINC000029569640 FD Annotated Mild CN(C)/C(=N\S(N)(=O)=O)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21 ZINC000029570269 FD Annotated Mild Cc1c(N2C[C@@H](N)[C@H](F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000029571543 FD Annotated Anodyne CC[C@@H]1NC(=O)OC12CCN(C[C@H](O)[C@H]1COc3ccccc3O1)CC2 ZINC000299804485 FD Annotated Anodyne CC[C@@H]1NC(=O)OC12CCN(C[C@@H](O)[C@H]1COc3ccccc3O1)CC2 ZINC000299804486 FD Annotated Anodyne C[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@H]21)c1ccccc1 ZINC000299805009 FD Annotated Anodyne C[C@H](CC(=O)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H](O)CO)c1ccccc1 ZINC000299805010 FD Annotated Anodyne C[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O)CO)O[C@H]2OC(C)(C)O[C@@H]21)c1ccccc1 ZINC000299805011 FD Annotated Anodyne C[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O)CO)O[C@@H]2OC(C)(C)O[C@@H]21)c1ccccc1 ZINC000299805012 FD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000299805031 FD Annotated Anodyne O[C@H]1[C@@H](N(CCc2ccccc2)CCc2ccccc2)C=C[C@@H](O)[C@H]1O ZINC000299807335 FD Annotated Anodyne O[C@@H]1[C@@H](O)[C@H](O)C=C[C@@H]1N(CCc1ccccc1)CCc1ccccc1 ZINC000299807336 FD Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H]3CO3)[C@@H]1C2=O ZINC000299807955 FD Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H]3CO3)[C@H]1C2=O ZINC000299807957 FD Annotated Anodyne COc1cccc(OCC(=O)NN=C(C)CC(=O)NCc2ccco2)c1 ZINC000299811108 FD Annotated Reactive COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N@@+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000299811592 FD Annotated Bother CN1C[C@H]2CC[C@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 ZINC000299812620 FD Annotated Anodyne C[C@@H]1CC[C@@H](Oc2nc(N)c3c(=O)ccn([C@H]4CC[C@H](O)[C@@H]4O)c3n2)CC1 ZINC000299814758 FD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)o1 ZINC000299815005 FD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)o1 ZINC000299815007 FD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)o1 ZINC000299815010 FD Annotated Anodyne COc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000299815119 FD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CC[N@@+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] ZINC000299815141 FD Annotated Bother Cc1ncc([N+](=O)[O-])n1CC[N@+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] ZINC000299815143 FD Annotated Bother COc1ccccc1C=c1nc(O)c(=Cc2nc[nH]c2C(C)(C)C)nc1O ZINC000299815630 FD Annotated Anodyne C[C@]12C=C[C@](C)([C@@H]3C(=O)[C@@H]4[C@@H](C(=O)[C@H]31)[C@@]1(C)C=C[C@@]4(C)S1=O)S2=O ZINC000299815855 FD Annotated Anodyne C[C@]12C=C[C@](C)([C@H]3C(=O)[C@H]4[C@@H](C(=O)[C@H]31)[C@@]1(C)C=C[C@@]4(C)[S@@]1=O)[S@@]2=O ZINC000299815856 FD Annotated Anodyne C[C@]12C=C[C@](C)([C@@H]3C(=O)[C@H]4[C@@H](C(=O)[C@H]31)[C@@]1(C)C=C[C@@]4(C)[S@@]1=O)[S@@]2=O ZINC000299815857 FD Annotated Anodyne C[C@]12C=C[C@](C)([C@H]3C(=O)[C@H]4[C@H](C(=O)[C@H]31)[C@@]1(C)C=C[C@@]4(C)[S@@]1=O)[S@@]2=O ZINC000299815858 FD Annotated Anodyne Cc1ccc(NC[C@]2(/N=C/c3ccccc3)O[C@H](CO)[C@@H](O)[C@H]2O)cc1 ZINC000299816445 FD Annotated Mild CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(O)c2)nc1O ZINC000299816504 FD Annotated Anodyne Cc1ccccc1C=c1nc(O)c(=Cc2nc[nH]c2C(C)(C)C)nc1O ZINC000299816508 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc(C#N)c2)nc1O ZINC000299816633 FD Annotated Mild Cc1ccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)cc1 ZINC000299816684 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2O)nc1O ZINC000299816707 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(F)cc2)nc1O ZINC000299816815 FD Annotated Anodyne COc1ccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)cc1 ZINC000299816850 FD Annotated Anodyne Cc1cccc(C=c2nc(O)c(=Cc3nc[nH]c3C(C)(C)C)nc2O)c1 ZINC000299816865 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccccc2F)nc1O ZINC000299816889 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc(Cl)o2)nc1O ZINC000299816890 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cc(F)ccc2F)nc1O ZINC000299816909 FD Annotated Anodyne C[n+]1c(-c2ccc(/C=N/N[C@@H]3N=NC(=S)N3N)cc2)cn2ccsc21 ZINC000299818146 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/N[C@H]3N=NC(=S)N3N)cc2)cn2ccsc21 ZINC000299818148 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/N[C@H]3N=NC(=S)N3N)cc2)cn2ccccc21 ZINC000299818166 FD Annotated Mild C[n+]1c(-c2ccc(/C=N/N[C@@H]3N=NC(=S)N3N)cc2)cn2ccccc21 ZINC000299818167 FD Annotated Mild O=C(Nc1cccnc1)[C@H]1CO[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2C1 ZINC000299818358 FD Annotated Anodyne Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000299819085 FD Annotated Bother Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000299819089 FD Annotated Bother O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000299821279 FD Annotated Bother O=C1C[C@@H](O)[C@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O ZINC000299823006 FD Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2C[C@@H]1O ZINC000299824029 FD Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCN(C)CC3)[C@@H]2C[C@H]1O ZINC000299824036 FD Annotated Anodyne Nc1ccc(C(=O)N[C@H](C(=O)NO)c2ccc(-n3cccn3)cc2)cc1 ZINC000299825197 FD Annotated Bother CN(CCO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O ZINC000299825219 FD Annotated Clean N#Cc1ccc(-c2cnc3nnn(Cc4n[nH]c5ncccc45)c3n2)cn1 ZINC000299825446 FD Annotated Mild O=C1C=C(NCc2ccc(O)cc2)C(=O)C=C1NCc1ccc(O)cc1 ZINC000299826762 FD Annotated Mild COc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000299826883 FD Annotated Mild CCOC(=O)C1=C(NC2CCC2)C(=O)N(C2CCC2)[C@@H]1C(=O)OCC ZINC000299827984 FD Annotated Anodyne CCOC(=O)C1=C(NC2CCC2)C(=O)N(C2CCC2)[C@H]1C(=O)OCC ZINC000299827985 FD Annotated Anodyne CCNC(=S)NNC(=O)Cc1nc(O)c2c3c(sc2n1)CCCC3 ZINC000299828150 FD Annotated Reactive C[C@@]12CC[C@H]3O[C@]3(C)[C@H](O)C[C@@H]3[C@H](OC(=O)[C@H]3CN3CCCCC3)[C@H]1O2 ZINC000299828223 FD Annotated Anodyne Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ncc([N+](=O)[O-])s1 ZINC000299828224 FD Annotated Bother C[C@@H](c1ccc2nccn2c1)n1nnc2nc(O)c(-c3cnn(C)c3)nc21 ZINC000299828677 FD Annotated Anodyne NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCCCl)nn2)c(F)c1F ZINC000299828823 FD Annotated Reactive C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN(C)CCN(C)C)[C@@H]2C[C@H]1O ZINC000299829916 FD Annotated Anodyne COc1cc(CC(=O)NC(=N)NCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000299830044 FD Annotated Bother Cn1c([C@H]2CCCCO2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000299830869 FD Annotated Anodyne Cn1c([C@@H]2CCCCO2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000299830871 FD Annotated Anodyne C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](CN3CCOCC3)[C@@H]2C[C@H]1O ZINC000299830907 FD Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)[C@]2(CCN3CCOCC3)CCOC2=O)cc1 ZINC000299831041 FD Annotated Mild CN(C)c1ccc(/C=C/C(=O)[C@@]2(CCN3CCOCC3)CCOC2=O)cc1 ZINC000299831050 FD Annotated Mild CCNC(=O)Nc1ccc(C(=O)NC2=C[C@@H]3OC(=O)C=C(C)[C@H]3C=C2)cn1 ZINC000299831752 FD Annotated Anodyne CCNC(=O)Nc1ccc(C(=O)NC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)cn1 ZINC000299831753 FD Annotated Anodyne CCNC(=O)Nc1ccc(C(=O)NC2=C[C@H]3OC(=O)C=C(C)[C@H]3C=C2)cn1 ZINC000299831755 FD Annotated Anodyne CCNC(=O)Nc1ccc(C(=O)NC2=C[C@H]3OC(=O)C=C(C)[C@@H]3C=C2)cn1 ZINC000299831756 FD Annotated Anodyne COC(=O)[C@H](Cc1nc[nH]c1Cl)NC(=O)CCNC(=O)OC(C)(C)C ZINC000299831877 FD Annotated Anodyne CC(=O)OCc1cn([C@@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833100 FD Annotated Mild CC(=O)OCc1cn([C@H]2C3=C(OC2(C)C)c2ccccc2C(=O)C3=O)nn1 ZINC000299833102 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000299833377 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]2O)CC1 ZINC000299833379 FD Annotated Mild COc1ccc([C@@H]2C(C#N)=C(N)O[C@]3(OC)CCN(C)C[C@@H]23)cc1OC ZINC000299833392 FD Annotated Reactive COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncccn1 ZINC000299834716 FD Annotated Anodyne COC(=O)[C@H](C)NC(=O)CSC1=CC(=O)c2cccc(OC)c2C1=O ZINC000299834846 FD Annotated Mild O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1ccc(O)cc1 ZINC000299835055 FD Annotated Anodyne O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1ccc(O)cc1 ZINC000299835056 FD Annotated Anodyne C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@@H](CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]2O)CC1 ZINC000299835494 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@@H](CO)[C@H](N=[N+]=[N-])[C@@H](O)[C@@H]2O)CC1 ZINC000299835496 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@H]2O)CC1 ZINC000299835497 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@H](CO)[C@@H](N=[N+]=[N-])[C@H](O)[C@H]2O)CC1 ZINC000299835499 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=[N+]=[N-])CC1 ZINC000299835589 FD Annotated Mild C=C(C)[C@@H]1CC=C(CN(OC)[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=[N+]=[N-])CC1 ZINC000299835590 FD Annotated Mild O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ncc([N+](=O)[O-])s1 ZINC000299835792 FD Annotated Bother COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncns1 ZINC000299835979 FD Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cnncn1 ZINC000299836062 FD Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cnccn1 ZINC000299836693 FD Annotated Anodyne O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@@H]1c1ccc(F)cc1 ZINC000299836813 FD Annotated Anodyne O=C(CNC(=O)c1ccccc1)NN1C(=O)CS[C@H]1c1ccc(F)cc1 ZINC000299836818 FD Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1nncs1 ZINC000299836819 FD Annotated Anodyne CCn1c(=O)c2c3c(cnc2n(CC)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299838941 FD Annotated Mild COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cccnn1 ZINC000299839418 FD Annotated Anodyne COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1cncnc1 ZINC000299840272 FD Annotated Anodyne COc1cc(C#Cc2ccc(C#CCOc3cccnc3)cn2)nc(N)n1 ZINC000299840359 FD Annotated Mild Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299840724 FD Annotated Mild COC(=O)CNC(=O)CSC1=C(C)C(=O)c2cccc(OC)c2C1=O ZINC000299840846 FD Annotated Mild COC(=O)[C@H](C)NC(=O)CSC1=C(OC)C(=O)c2ccccc2C1=O ZINC000299840859 FD Annotated Mild Cc1noc([C@H]2CC[C@H]3[C@@H](CCN3S(=O)(=O)c3cccnc3)O2)n1 ZINC000299841654 FD Annotated Anodyne O=C(c1cc[nH]n1)N1CC[C@H]2CN(Cc3ccccc3)S(=O)(=O)[C@@H]2CC1 ZINC000299841691 FD Annotated Anodyne CCS(=O)(=O)NC[C@@]12COC[C@@H]1CN(Cc1cccc(OC)c1)C2 ZINC000299841761 FD Annotated Anodyne COCCN1CCO[C@H]2CN(Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 ZINC000299841804 FD Annotated Anodyne CN(C)C(=O)CN1CC[C@]2(CN(CC3CC3)C[C@@H]2c2ccccc2)C1=O ZINC000299841849 FD Annotated Anodyne O=C(c1cnccn1)N1CCN2C[C@@H](OCc3ccccc3F)C[C@H]2C1 ZINC000299841885 FD Annotated Anodyne O=C(Nc1cnccn1)[C@H]1CO[C@@H]2CCN(c3ncc(F)cn3)C[C@H]2C1 ZINC000299841909 FD Annotated Anodyne Cc1ncccc1NC(=O)[C@H]1CC[C@H]2[C@@H](CCN2Cc2cnn(C)c2)O1 ZINC000299841946 FD Annotated Anodyne O=C(C1CCOCC1)N1C[C@H]2OCCN(Cc3ccsc3)C[C@@H]2C1 ZINC000299842004 FD Annotated Anodyne Cn1ccnc1C(=O)N[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@@H]12 ZINC000299842010 FD Annotated Anodyne O=C(CO[C@H]1CC[C@H]2[C@@H]1OCCN2CC1CCOCC1)N1CCCC1 ZINC000299842021 FD Annotated Anodyne CCOC(=O)[C@@]12CCCN(Cc3ccco3)C[C@@H]1CN(CCN(C)C)C2 ZINC000299842078 FD Annotated Anodyne O=C(c1ccncn1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842197 FD Annotated Anodyne O=C(NCC1CCOCC1)[C@H]1CC[C@H]2[C@@H](CCN2Cc2ccncc2)O1 ZINC000299842229 FD Annotated Anodyne Cc1ccc(N2CCO[C@@H]3CN(Cc4cc(C)on4)CC[C@@H]3C2=O)cn1 ZINC000299842258 FD Annotated Anodyne O=C(O)[C@@]12CCCN(Cc3ccncc3)C[C@@H]1CN(c1ncccn1)C2 ZINC000299842281 FD Annotated Anodyne O=C(Cc1cccc(F)c1)N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC000299842434 FD Annotated Anodyne Cn1cc([C@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2N)c2ccncc21 ZINC000299842509 FD Annotated Anodyne O=C(c1ccncc1F)N1CC[C@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC000299842549 FD Annotated Anodyne CCN1CC[C@]2(C(=O)N3CCOCC3)CCN(C(=O)C(C)C)CC[C@@H]12 ZINC000299842550 FD Annotated Anodyne O=C(Cc1ccccn1)N1CC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842685 FD Annotated Anodyne O=C(c1ncccn1)N1CCC[C@@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000299842748 FD Annotated Anodyne COc1ccc(CN2C[C@H]3CCCO[C@@H]3[C@H](NS(C)(=O)=O)C2)cc1 ZINC000299842770 FD Annotated Anodyne CS(=O)(=O)N[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1ccncc1 ZINC000299842777 FD Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(C(=O)c2cnccn2)C[C@H]2CCCO[C@@H]12 ZINC000299842789 FD Annotated Anodyne Cc1ncsc1CN1C[C@H]2COC[C@@]2(C(=O)NC2CC(F)(F)C2)C1 ZINC000299842798 FD Annotated Anodyne CCN1CC[C@]2(C(=O)N3CCOCC3)CCN(C(=O)CC(C)C)CC[C@@H]12 ZINC000299842880 FD Annotated Anodyne Cc1cccc(CN2C[C@H]3COC[C@@]3(CNC(=O)c3cccn3C)C2)n1 ZINC000299842886 FD Annotated Anodyne O=C(Cc1ccccn1)N1CCN2C[C@H](OCCN3CCCC3)C[C@@H]2C1 ZINC000299842892 FD Annotated Anodyne O=C(NCC1CCOCC1)[C@H]1C[C@H]2CCN(Cc3ccncc3)C[C@@H]2O1 ZINC000299842908 FD Annotated Anodyne O=C(NCc1ccco1)[C@H]1C[C@H]2OCC[C@@H]2N(C(=O)c2ccncc2)C1 ZINC000299842960 FD Annotated Anodyne Cn1cc([C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@@H]2N)c2ccncc21 ZINC000299842962 FD Annotated Anodyne Cc1ncsc1CN1C[C@H]2COC[C@@]2(C(=O)NCc2cccnc2)C1 ZINC000299843121 FD Annotated Anodyne O=S(=O)(C1CC1)N1CCO[C@H]2C[C@H](COCc3cccnc3)C[C@H]21 ZINC000299843159 FD Annotated Anodyne O=S(=O)(C1CC1)N1CCO[C@H]2C[C@@H](COCc3cccnc3)C[C@H]21 ZINC000299843160 FD Annotated Anodyne Cn1ccc(C(=O)N2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC000299843163 FD Annotated Anodyne CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@@H]1C(=O)N(C)CCN(C)C ZINC000299843171 FD Annotated Anodyne Cc1noc(C)c1CN1C[C@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC000299843177 FD Annotated Anodyne O=C(NCC1CCOCC1)[C@H]1C[C@H]2[C@@H](CCN2Cc2nccs2)O1 ZINC000299843180 FD Annotated Anodyne CNC(=O)[C@H]1CN(C(=O)C2CCC2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000299843392 FD Annotated Anodyne Cc1ncsc1CN1C[C@H]2COC[C@@]2(C(=O)NCc2ccccn2)C1 ZINC000299843448 FD Annotated Anodyne CCc1ccc(CN2C[C@H]3OCCN(c4ccnc(N(C)C)n4)[C@@H]3C2)o1 ZINC000299843473 FD Annotated Anodyne Cc1cccc(C(=O)N2C[C@H]3COC[C@@H](CC(=O)N4CCCC4)[C@@H]3C2)n1 ZINC000299843501 FD Annotated Anodyne O=C(NCCc1cccs1)[C@@]12COC[C@@H]1CN(C1CCOCC1)C2 ZINC000299843509 FD Annotated Anodyne Cc1ccc(CC(=O)N2CC[C@@H]3CN(CCN(C)C)CCO[C@H]3C2)cc1 ZINC000299843611 FD Annotated Anodyne CC(C)[C@@H](N)C(=O)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000299843635 FD Annotated Anodyne CC(C)[C@@H](N)C(=O)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C1 ZINC000299843636 FD Annotated Anodyne Cc1ccc(CN2C[C@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)s1 ZINC000299843637 FD Annotated Anodyne CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@@H]1C(=O)NCCN1CCCC1 ZINC000299843653 FD Annotated Anodyne O=C(C[C@H]1COC[C@H]2CN(CC3CCOCC3)C[C@@H]12)N1CCCCO1 ZINC000299843712 FD Annotated Anodyne Cn1cc([C@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2N)c2ccncc21 ZINC000299843718 FD Annotated Anodyne Cc1noc([C@H]2C[C@H]3OCC[C@@H]3N(S(=O)(=O)c3cccnc3)C2)n1 ZINC000299843729 FD Annotated Anodyne CNC(=O)[C@H](c1ccccc1F)N1CCC[C@@H]1C(=O)NC1CCOCC1 ZINC000299843744 FD Annotated Anodyne O[C@H]1CC(CNCc2cccc(Cl)c2)(COc2cnccn2)C[C@@H]1O ZINC000299843747 FD Annotated Anodyne O=C(C[C@@H]1COC[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]12)N1CCOCC1 ZINC000299843859 FD Annotated Anodyne CN(Cc1ccco1)[C@H]1CN(C(=O)c2ccnnc2)C[C@H]2CCCO[C@@H]12 ZINC000299843904 FD Annotated Anodyne CO[C@H]1CCN(S(=O)(=O)c2cccnc2)[C@H]2CN(CC3CC3)C[C@@H]12 ZINC000299843935 FD Annotated Anodyne O=C(NCC1CCOCC1)[C@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1 ZINC000299843938 FD Annotated Anodyne CC[N+]12CC[N+](CCCCC[N+]34CC[N+](CC)(CC3)CC4)(CC1)CC2 ZINC000299844694 FD Annotated Bother COc1ccc(S(=O)(=O)N2C(=O)N[C@]3(C[C@H]4CC[C@H]3C4)C2=O)cc1 ZINC000299844807 FD Annotated Anodyne COc1ccc(S(=O)(=O)N2C(=O)N[C@@]3(C[C@H]4CC[C@H]3C4)C2=O)cc1 ZINC000299844808 FD Annotated Anodyne N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1/N=C/c1ccc(Cl)cc1 ZINC000299846415 FD Annotated Reactive N#CC1=C2CCCN2[C@@](O)(N2CCOCC2)[C@H]1NC(=O)Nc1ccccc1 ZINC000299846703 FD Annotated Reactive O=C1N[C@@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299847095 FD Annotated Bother O=C1N[C@]2(C[C@H]3CC[C@H]2C3)C(=O)N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299847098 FD Annotated Bother CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@@H](OC)[C@](C)(O)N1C ZINC000299847275 FD Annotated Anodyne CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])[C@H](OC)[C@](C)(O)N1C ZINC000299847282 FD Annotated Anodyne C[C@H]1ON2CCC[C@H]2[C@H]1C(=O)N1[C@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000299847585 FD Annotated Anodyne C[C@H]1ON2CCC[C@H]2[C@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000299847586 FD Annotated Anodyne CN=[S@](=O)(C[C@]1(O)C[C@H]2O[C@@H]1[C@H]1OC(C)(C)O[C@@H]12)c1ccccc1 ZINC000299848345 FD Annotated Anodyne CN=[S@](=O)(C[C@]1(O)C[C@H]2O[C@@H]1[C@@H]1OC(C)(C)O[C@H]21)c1ccccc1 ZINC000299848351 FD Annotated Anodyne CC[C@H](CN)C[C@H](C)CCNC[C@H](O)CNC[C@@H](C)C[C@H](CC)CN ZINC000299848540 FD Annotated Anodyne CC[C@H](CN)C[C@H](C)CCNC[C@H](O)CNC[C@H](C)C[C@@H](CC)CN ZINC000299848541 FD Annotated Anodyne CC[C@H](CN)C[C@H](C)CCNC[C@H](O)CNC[C@H](C)C[C@H](CC)CN ZINC000299848542 FD Annotated Anodyne COc1cccc(-c2ncc3c(n2)N(C)CCN(CCN(C)C)C3=O)c1 ZINC000299849398 FD Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)Nc1nc(-c2cnc(N(C)CCO)nc2)cs1 ZINC000299849405 FD Annotated Anodyne Cc1csc2ncc(-c3ccnc(N4CCCN(C)CC4)n3)c(=O)n12 ZINC000299849415 FD Annotated Anodyne CC(C)Nc1ncc(-c2csc(NC(=O)C[C@H]3COCCN3)n2)cn1 ZINC000299849421 FD Annotated Anodyne CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(-c2cnc(N(C)CCO)nc2)c1 ZINC000299849460 FD Annotated Anodyne Cc1csc2ncc(-c3ccnc(N4CCC[C@H](C(N)=O)C4)n3)c(=O)n12 ZINC000299849471 FD Annotated Anodyne Cc1csc2ncc(-c3ccnc(N4CCCC[C@@H]4CO)n3)c(=O)n12 ZINC000299849838 FD Annotated Anodyne O=S1(=O)NC[C@]2(CCCN(Cc3cccnc3)C2)Oc2ncccc21 ZINC000299849839 FD Annotated Anodyne O=S1(=O)NC[C@@]2(CCCN(Cc3cccnc3)C2)Oc2ncccc21 ZINC000299849840 FD Annotated Anodyne O=S1(=O)NCC2(CCN(Cc3ccncc3)CC2)Oc2ncccc21 ZINC000299849863 FD Annotated Anodyne O=C(C1CCCCC1)N1CC[C@@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299849909 FD Annotated Anodyne O=C(C1CCCCC1)N1CC[C@]2(COc3ncccc3S(=O)(=O)N2)C1 ZINC000299849910 FD Annotated Anodyne CN(C)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c2cnn(C)c2n1 ZINC000299849924 FD Annotated Anodyne O=S(=O)(c1ccccc1)N1C2CCC(O)(CC2)[C@H]1CN1CCOCC1 ZINC000299850171 FD Annotated Anodyne O=S(=O)(c1ccccc1)N1C2CCC(O)(CC2)[C@@H]1CN1CCOCC1 ZINC000299850173 FD Annotated Anodyne O=S1(=O)NC[C@]2(CCCN(Cc3ccccn3)C2)Oc2ncccc21 ZINC000299850213 FD Annotated Anodyne O=S1(=O)NC[C@@]2(CCCN(Cc3ccccn3)C2)Oc2ncccc21 ZINC000299850214 FD Annotated Anodyne CC(C)(C)c1nnc2n1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000299850265 FD Annotated Anodyne CC(C)(C)c1nnc2n1[C@H](C(=O)N1CCN(c3ncccn3)CC1)CC2 ZINC000299850266 FD Annotated Anodyne CC1(C)OC[C@@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2N)O1 ZINC000299850377 FD Annotated Anodyne CC1(C)OC[C@H](CNC(=O)c2cnn(-c3ccc(Cl)cc3)c2N)O1 ZINC000299850379 FD Annotated Anodyne O=C1c2cccnc2O[C@@H](CN2CCOCC2)CN1Cc1cccs1 ZINC000299850665 FD Annotated Anodyne O=C1c2cccnc2O[C@H](CN2CCOCC2)CN1Cc1cccs1 ZINC000299850667 FD Annotated Anodyne O=C(CSc1nc2nncc-2c(O)n1-c1ccccc1)N1CCOCC1 ZINC000299850767 FD Annotated Anodyne CN1C(=O)CO[C@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)CC[C@@H]21 ZINC000299851117 FD Annotated Anodyne CC(C)[C@]1(C)SC(N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3OS(=O)(=O)O)=NC1=O ZINC000299851171 FD Annotated Anodyne CNC(=O)CN([C@H]1C[C@H]2CCOC[C@H]2C1)S(=O)(=O)c1ccccc1 ZINC000299851345 FD Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCOc1ccccc1 ZINC000299851432 FD Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCOc1ccccc1 ZINC000299851433 FD Annotated Anodyne CNC(=O)[C@@H]1[C@@H](c2ccccc2)CN2CCN(Cc3ccccn3)C[C@H]12 ZINC000299851713 FD Annotated Anodyne CNC(=O)[C@@H]1[C@H]2CN(Cc3ccccn3)CCN2C[C@H]1c1ccccc1 ZINC000299851714 FD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](OC)C(=O)N(C)C12CCN(C(=O)C(CC)CC)CC2 ZINC000299852122 FD Annotated Anodyne CCC[C@H](O)CN1CCC(=O)N(CCOC)Cc2cc3c(cc21)OCO3 ZINC000299852234 FD Annotated Clean CCC[C@@H](O)CN1CCC(=O)N(CCOC)Cc2cc3c(cc21)OCO3 ZINC000299852235 FD Annotated Clean COC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cnccc2O1 ZINC000299852339 FD Annotated Anodyne COC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cnccc2O1 ZINC000299852340 FD Annotated Anodyne CCN1C[C@@H](COc2ccc(OC)cc2)Oc2ccncc2S1(=O)=O ZINC000299852366 FD Annotated Anodyne CCN1C[C@H](COc2ccc(OC)cc2)Oc2ccncc2S1(=O)=O ZINC000299852367 FD Annotated Anodyne CC(=O)N1N=C(Cc2ccccc2)O[C@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000299852383 FD Annotated Anodyne CC(=O)N1N=C(Cc2ccccc2)O[C@@H]1C(=O)NCC(=O)OC(C)(C)C ZINC000299852384 FD Annotated Anodyne CCOC(=O)N1[C@@H](c2ccco2)[C@@H](C(=O)NC)C[C@]12CCCCNC2=O ZINC000299852430 FD Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@H]1C(=O)NCCN(C(C)C)C(C)C ZINC000299852529 FD Annotated Anodyne CC(=O)N1N=C(c2ccccc2)O[C@@H]1C(=O)NCCN(C(C)C)C(C)C ZINC000299852530 FD Annotated Anodyne CNC(=O)[C@@H]1[C@@H](c2ccccc2)CN2CCN(Cc3cc(C)no3)C[C@H]12 ZINC000299852574 FD Annotated Anodyne CC(=O)N1N=C(c2ccncc2)O[C@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852723 FD Annotated Anodyne CC(=O)N1N=C(c2ccncc2)O[C@@H]1C(=O)N(C)CCc1ccccc1 ZINC000299852724 FD Annotated Anodyne CCOC(=O)N1[C@@H](c2ccco2)[C@@H](C(=O)O)C[C@]12CCCCNC2=O ZINC000299852787 FD Annotated Anodyne CCOC(=O)N1CC[C@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 ZINC000299852839 FD Annotated Anodyne CCOC(=O)N1CC[C@@H](OC)c2ccccc2N(CC(=O)NC)C(=O)C1 ZINC000299852840 FD Annotated Anodyne N=C(N)NC(=O)c1cnn(-c2c(O)ccc3nc(O)ccc23)c1C1CC1 ZINC000299853094 FD Annotated Anodyne C[C@@H](Oc1ccc(O[C@@H]2N=c3cc(Cl)ccc3=NC2=O)cc1)C(=O)O ZINC000299853379 FD Annotated Anodyne C[C@@H](Oc1ccc(O[C@H]2N=c3cc(Cl)ccc3=NC2=O)cc1)C(=O)O ZINC000299853380 FD Annotated Anodyne Cc1ccc2nc(O)ccc2c1-n1ncc(C(=O)NC(=N)N)c1C1CC1 ZINC000299853394 FD Annotated Anodyne COc1ccc2nc(O)ccc2c1-n1ncc(C(=O)NC(=N)N)c1C1CC1 ZINC000299853641 FD Annotated Anodyne COc1ccc2nc(COc3ccc(C[C@H](O)C(N)=O)cc3)n(C)c2c1 ZINC000299854012 FD Annotated Anodyne COc1ccc2nc(COc3ccc(C[C@@H](O)C(N)=O)cc3)n(C)c2c1 ZINC000299854013 FD Annotated Anodyne Oc1c2ccc(NC3=NCCN3)cc2nc2cc(NC3=NCCN3)ccc12 ZINC000299854167 FD Annotated Bother O=C1c2ccc(NC3=NCCN3)cc2C(=O)c2ccc(NC3=NCCN3)cc21 ZINC000299854488 FD Annotated Clean Cc1cc(C)n(Cc2ccc(C(=O)Nc3cnn4c3C(=O)NCC4)o2)n1 ZINC000299854568 FD Annotated Anodyne O=NN(CCF)C(=O)N[C@@H]1CC[C@@H](NC(=O)N(CCCl)N=O)CC1 ZINC000299855378 FD Annotated Reactive COc1ccccc1C=c1nc(O)c(=Cc2ccccc2OC)n(C)c1=O ZINC000299856504 FD Annotated Anodyne COc1ccccc1C=c1c(O)nc(=Cc2ccccc2Cl)c(=O)n1C ZINC000299856593 FD Annotated Anodyne COc1ccc(CN2C[C@H](O)CN(C(=O)OCC(C)C)CC2=O)cc1 ZINC000299858585 FD Annotated Anodyne COc1ccc(CN2C[C@@H](O)CN(C(=O)OCC(C)C)CC2=O)cc1 ZINC000299858586 FD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H]1C[C@H]1[C@@H]2[C@@]23C=N[C@]1(O)[C@@H](O)[C@@H]2C(C)(C)CC[C@@H]3O ZINC000299860364 FD Annotated Mild CCOC(=O)CNC(=O)N1CC[C@H](OC)c2ccccc2N(C)C(=O)C1 ZINC000299861520 FD Annotated Anodyne CCOC(=O)CNC(=O)N1CC[C@@H](OC)c2ccccc2N(C)C(=O)C1 ZINC000299861521 FD Annotated Anodyne COc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](CO)N2)cc1OC ZINC000299862077 FD Annotated Anodyne COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O ZINC000299863664 FD Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2O)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1OC(C)=O ZINC000299865160 FD Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@](CO)(OC)NC1=O ZINC000299866051 FD Annotated Mild C=C1[C@@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@]5([C@@H](O)CC[C@@]4(C)CN(CC)[C@@H]15)[C@@H]3C[C@@H]2O ZINC000299874197 FD Annotated Mild CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000299876353 FD Annotated Anodyne CN1C(=O)[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000299876354 FD Annotated Anodyne CN1C(=O)[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000299876355 FD Annotated Anodyne C=C1CCC2=C(C)C[C@H](OC(=O)/C(=C/CO)CO)[C@@H]3C(=C)C(=O)O[C@H]3[C@@H]12 ZINC000299878390 FD Annotated Mild C=C1CCC2=C(C)C[C@H](OC(=O)/C(=C/CO)CO)[C@@H]3C(=C)C(=O)O[C@@H]3[C@@H]12 ZINC000299878391 FD Annotated Mild C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(=C/CO)CO)CC(C)=C1CCC(=C)[C@H]12 ZINC000299878392 FD Annotated Mild C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(=C/CO)CO)CC(C)=C1CCC(=C)[C@H]12 ZINC000299878393 FD Annotated Mild O=C1C[C@@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccc(Br)cc1 ZINC000299882469 FD Annotated Anodyne O=C1C[C@H](N2CCC[C@@H](CO)C2)C(=O)N1c1ccc(Br)cc1 ZINC000299882470 FD Annotated Anodyne C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]3(C)[C@@H](O)[C@H]12 ZINC000299882729 FD Annotated Mild C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]3(C)[C@@H](O)[C@H]12 ZINC000299882730 FD Annotated Mild Cc1ccccc1CS(=O)(=O)CCC(=O)N1CCC2(CC1)OCCO2 ZINC000003006228 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000003039040 FD Annotated Anodyne O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NC[C@H]1CCCO1 ZINC000003046818 FD Annotated Anodyne O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NC[C@H]1CCCO1 ZINC000003046822 FD Annotated Anodyne O=C(C[C@H](C(=O)N1CCc2ccccc21)n1ccnc1)NC[C@@H]1CCCO1 ZINC000003046824 FD Annotated Anodyne O=C(C[C@@H]1Nc2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 ZINC000003057931 FD Annotated Anodyne O=C(C[C@H]1Nc2ccccc2NC1=O)NC[C@H]1COc2ccccc2O1 ZINC000003057932 FD Annotated Anodyne O=C(C[C@@H]1Nc2ccccc2NC1=O)NC[C@@H]1COc2ccccc2O1 ZINC000003057933 FD Annotated Anodyne O=C(C[C@H]1Nc2ccccc2NC1=O)NC[C@@H]1COc2ccccc2O1 ZINC000003057934 FD Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000003097822 FD Annotated Mild O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc[n+]([O-])c1 ZINC000003175569 FD Annotated Reactive Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000003195063 FD Annotated Anodyne Cn1nc([N+](=O)[O-])c([C@H](C#N)c2nc3ccccc3n2C)c(Cl)c1=O ZINC000003225025 FD Annotated Mild COC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000003265074 FD Annotated Anodyne COC(=O)c1cc(C(=O)c2ccccc2)n2c(=O)/c(=C\N(C)C)sc12 ZINC000003272823 FD Annotated Anodyne CCN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1cccc2ccccc12 ZINC000003280279 FD Annotated Anodyne N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc(SCC(=O)O)cc12 ZINC000003326524 FD Annotated Mild O=C(N/N=C/c1ccc(N2CCOCC2)cc1)[C@@H]1COc2ccccc2O1 ZINC000003334211 FD Annotated Reactive O=C(N/N=C/c1ccc(N2CCOCC2)cc1)[C@H]1COc2ccccc2O1 ZINC000003334217 FD Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)OCC(=O)N(C)C)cc1 ZINC000003341297 FD Annotated Anodyne COc1ccccc1C[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003437531 FD Annotated Anodyne COc1ccccc1C[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O ZINC000003437536 FD Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCNC(=O)C1 ZINC000003439922 FD Annotated Anodyne CCOc1ccccc1NC(=O)CN1C(=O)C(=O)N(Cc2ccco2)C1=O ZINC000003446711 FD Annotated Anodyne O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3cccs3)n(CCO)c12 ZINC000003457965 FD Annotated Anodyne CC(=O)c1cc2c(cc1NC(=O)Cn1cnc3ccccc3c1=O)OCO2 ZINC000003486585 FD Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@H](OS(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000301054967 FD Annotated Mild CO[C@]1(C)O[C@@H]2C=C(I)C(=O)C[C@H]2O[C@@]1(C)OC ZINC000306146563 FD Annotated Mild CO[C@@]1(C)O[C@@H]2CC(=O)C(I)=C[C@H]2O[C@@]1(C)OC ZINC000306146564 FD Annotated Mild OC[C@@]1(O)[C@@H](Cc2ccc3c(c2)OCO3)CO[C@@H]1c1ccc2c(c1)OCO2 ZINC000031169244 FD Annotated Anodyne C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@H]12 ZINC000031539446 FD Annotated Anodyne in-vitro biogenic O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7cccc(O)c7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000031571238 FD Annotated Anodyne CC(/C=C/c1ccc([N+](=O)[O-])o1)=N/N1C[C@@H](CN2CCOCC2)OC1=O ZINC000031623567 FD Annotated Mild CCCC(=O)C1=C(O)C(=O)c2cc(OS(=O)(=O)O)cc(O)c2C1=O ZINC000031706497 FD Annotated Mild CC(=O)O[C@H]1C[C@@H]2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000031851884 FD Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CCN3Cc4cc5c(cc4[C@H]([C@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000031851887 FD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000031851890 FD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CCN3Cc4cc5c(cc4[C@H]([C@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000031851892 FD Annotated Anodyne C[C@H]1ON2CCC[C@@H]2[C@@H]1C(=O)N1[C@H]2C[C@@H]3CC[C@@]2(CS1(=O)=O)C3(C)C ZINC000031861048 FD Annotated Anodyne O=C(O[C@@H]1C=C=CS(=O)(=O)CC#C/C=C\1)c1cnc2ccccc2n1 ZINC000031861832 FD Annotated Mild C=C[C@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000031870584 FD Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)o1 ZINC000031871669 FD Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nnc([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)o1 ZINC000031871672 FD Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nnc([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)o1 ZINC000031871674 FD Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nnc([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)o1 ZINC000031871676 FD Annotated Anodyne O=C(O)C[C@@H]1N[C@@H](/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC1=O ZINC000031871917 FD Annotated Anodyne COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@H]3OC(C)=O ZINC000031905202 FD Annotated Anodyne COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@@H]3OC(C)=O ZINC000031905203 FD Annotated Anodyne O=C1[C@H](O)[C@]23C=CCN4CC=C5c6cc7c(cc6N1[C@@]5(CC2)[C@@H]43)OCO7 ZINC000032072211 FD Annotated Anodyne Cc1cn(CO[C@H]2C[P@](=O)(Oc3ccccc3)O[C@H]2C)c(=O)[nH]c1=O ZINC000032153841 FD Annotated Anodyne Cc1cn(CO[C@H]2C[P@](=O)(Oc3ccccc3)O[C@@H]2C)c(=O)[nH]c1=O ZINC000032153846 FD Annotated Anodyne Cc1cn(CO[C@H]2C[P@@](=O)(Oc3ccccc3)O[C@H]2C)c(=O)[nH]c1=O ZINC000032153850 FD Annotated Anodyne Cc1cn(CO[C@H]2C[P@@](=O)(Oc3ccccc3)O[C@@H]2C)c(=O)[nH]c1=O ZINC000032153854 FD Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1cn(-c2ccccc2)nn1 ZINC000032220155 FD Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)c1cn(-c2ccccc2)nn1 ZINC000032220156 FD Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)c1cn(-c2ccccc2)nn1 ZINC000032220157 FD Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)c1cn(-c2ccccc2)nn1 ZINC000032220158 FD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)OC ZINC000032274403 FD Annotated Mild C[C@@H]1C[C@H]2O[C@@]34C[C@@H](O)C[C@H]([C@@]15C[C@@H](c1ccoc1)OC5=O)[C@@]23COC4=O ZINC000032296189 FD Annotated Anodyne C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)[C@H](O)C1 ZINC000032296380 FD Annotated Mild CC1=C(C(C)C)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4(C(=O)[C@@H](C)CC[C@]34O)[C@@]12O ZINC000032296621 FD Annotated Anodyne COc1cc(/C=C2/C(=O)[C@H]3C[C@@]45CCO[C@@H]2[C@@]4(COC5=O)O3)ccc1O ZINC000032303236 FD Annotated Mild CC(=O)O[C@H](/C=C\C=C1\C=CC(=O)O1)C[C@@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000032303247 FD Annotated Anodyne in-vitro biogenic Nc1ncc(-c2cncnc2)nc1N1CCCC[C@@H]1CN1CCOCC1 ZINC000032508984 FD Annotated Anodyne Nc1ncc(-c2cncnc2)nc1N1CCCC[C@H]1CN1CCOCC1 ZINC000032508985 FD Annotated Anodyne Cc1nc(C2CCN(Cc3cnc(N4CCOCC4)nc3)CC2)cc(=O)[nH]1 ZINC000032576327 FD Annotated Anodyne C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1Cl)CS2 ZINC000032975853 FD Annotated Reactive C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)c1ccccc1Cl)CS2 ZINC000032975854 FD Annotated Reactive C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1Cl)CS2 ZINC000032975855 FD Annotated Reactive C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)c1ccccc1Cl)CS2 ZINC000032975856 FD Annotated Reactive C/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000033625077 FD Annotated Mild Cc1nc2sc([C@@H](c3ccco3)N3CCC(C(N)=O)CC3)c(O)n2n1 ZINC000033682167 FD Annotated Anodyne Cc1nc2sc([C@H](c3ccco3)N3CCC(C(N)=O)CC3)c(O)n2n1 ZINC000033682168 FD Annotated Anodyne O=C(NCCN1CCN=C1c1ccncc1)Nc1ccc(C(=O)O)cc1 ZINC000033753323 FD Annotated Anodyne CC1=CC(=O)O[C@@H]1[C@@]1(C)C[C@@H]2OC(=O)C[C@H]3[C@@H](C)C(=O)C(O)=C1[C@@]23CO ZINC000033804496 FD Annotated Mild COC(=O)C[C@@H]1CNC(=O)c2cc(Br)c(Br)n21 ZINC000033807308 FD Annotated Anodyne COC(=O)C[C@H]1CNC(=O)c2cc(Br)c(Br)n21 ZINC000033807309 FD Annotated Anodyne CC1(C)[C@@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4C[C@]3(C[C@@H](O)[C@@]21O)C[C@@]4(C)O ZINC000033824801 FD Annotated Anodyne in-vitro CO[C@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829250 FD Annotated Bother CO[C@@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] ZINC000033829251 FD Annotated Bother C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000033830071 FD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]12CCC[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000033830072 FD Annotated Mild in-man COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@H]1O ZINC000033831588 FD Annotated Anodyne C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccccc34)C[C@@H]21 ZINC000033832011 FD Annotated Anodyne in-vitro C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@@]34C(=O)Nc3ccccc34)C[C@H]12 ZINC000033832012 FD Annotated Anodyne in-vitro biogenic C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@H]([C@@]14C[C@@H](c1ccoc1)OC4=O)[C@]32CO ZINC000033833345 FD Annotated Mild in-vitro biogenic COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)C[C@H](C)O)C=C[C@@]31CCNC2 ZINC000033836474 FD Annotated Anodyne CCOC1=C/C(=C/NNC(=O)c2ccncc2)C=C(Br)C1=O ZINC000033837024 FD Annotated Reactive C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000033913485 FD Annotated Anodyne in-vitro biogenic CC(=O)N1[C@H](Cc2ccccc2)C=C[C@]1(C)C(=O)NCCN1CCOCC1 ZINC000033913746 FD Annotated Anodyne CC(=O)N1[C@H](C)C=C[C@]1(Cc1ccccc1)C(=O)NCCN1CCOCC1 ZINC000033913751 FD Annotated Anodyne C[C@@H]1/C=C/CC(=O)OC[C@H]2O[C@@H](C=C[C@@H]2O)[C@H](C)/C=C/CC(=O)OC1 ZINC000033943440 FD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C/[C@H]1C ZINC000033943444 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000033943479 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C/[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C/[C@@H]1C ZINC000033943481 FD Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1O ZINC000033953226 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000033955638 FD Annotated Mild in-vitro biogenic CC[C@H]1C[C@H](C)[C@H](O)/C=C\C=C\C[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@@H]1O ZINC000033956019 FD Annotated Anodyne in-vitro CC[C@@H]1C[C@@H](C)[C@H](O)/C=C\C=C\C[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@@H]1O ZINC000033956020 FD Annotated Anodyne in-vitro CC[C@H]1C[C@@H](C)[C@H](O)/C=C\C=C\C[C@H](C)OC(=O)C[C@H](O)[C@H](OC)[C@@H]1O ZINC000033956021 FD Annotated Anodyne in-vitro COc1cc2sc(C/N=C(\NO)S(=O)(=O)O)cc2c(F)c1OC ZINC000033998562 FD Annotated Mild investigational O=C1CC[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2[C@H]1O[C@H]1C3=O ZINC000034008125 FD Annotated Anodyne COC(=O)c1cccc(Cn2nnc3c(-c4ccco4)nc(N)nc32)c1 ZINC000034054493 FD Annotated Anodyne NC1=N[C@@H]2[C@H](CCCCC(=O)NCCCCCC(=O)O)SC[C@@H]2N1 ZINC000034054957 FD Annotated Anodyne in-vitro C[C@]1(COc2ccc(N3CCOCC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000034086761 FD Annotated Clean C[C@@H]1C[C@H](O)[C@]2(C)[C@H]([C@H](O)C[C@H](O)[C@]23CO3)[C@@]1(C)C[C@H](O)c1ccoc1 ZINC000034095901 FD Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4O[C@H]4[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000034096126 FD Annotated Anodyne COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@H]4O[C@H]4[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000034096128 FD Annotated Anodyne C=N[C@@H](C(=O)N[C@@H]1C(=O)[C@H]2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1 ZINC000034118669 FD Annotated Mild in-vitro CN1C(C(=O)Nc2ccc(O)cc2)=C(O)c2sccc2S1(=O)=O ZINC000034143619 FD Annotated Anodyne Cc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C ZINC000034168916 FD Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CC[N+](C)([O-])CCCCn1ccnc1[N+](=O)[O-] ZINC000034172562 FD Annotated Bother N[C@@H]1C[S@@](=O)CON2CCc3c([nH]c4cc(Br)ccc34)[C@H]12 ZINC000034215480 FD Annotated Anodyne C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O ZINC000034226624 FD Annotated Mild N#Cc1c(N)[nH]c2ccc(Oc3ccc(NC(=O)[C@H](N)CO)cc3)cc12 ZINC000034281221 FD Annotated Anodyne N#Cc1c(N)[nH]c2ccc(Oc3ccc(NC(=O)[C@@H](N)CO)cc3)cc12 ZINC000034281222 FD Annotated Anodyne in-vitro C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)[C@H](O)CC(C)(C)[C@H]1C[C@H]3O ZINC000034285776 FD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000034302850 FD Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)[C@@H](O)CC[C@H]34)[C@@H]2C1 ZINC000034326977 FD Annotated Anodyne CC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C ZINC000034336215 FD Annotated Anodyne Oc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](C=C[C@@H]4O)(O2)O1 ZINC000034345594 FD Annotated Anodyne O=c1[nH]cc([C@@H](CI)OCC(F)(F)F)c(=O)[nH]1 ZINC000034382923 FD Annotated Reactive O=c1[nH]cc([C@H](CI)OCC(F)(F)F)c(=O)[nH]1 ZINC000034382924 FD Annotated Reactive Oc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](CC[C@@H]4O)(O2)O1 ZINC000034383299 FD Annotated Anodyne O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2ccc(C(F)(F)F)cc2c1=O ZINC000034404853 FD Annotated Anodyne CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(C)s1 ZINC000034444283 FD Annotated Anodyne CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(C)s1 ZINC000034444286 FD Annotated Anodyne C[C@H]1CC[C@@]23[C@@H](O)OC[C@]2(O)[C@H](O)CC[C@H]3[C@]1(C)CCC1=CC(=O)OC1 ZINC000034500181 FD Annotated Anodyne CCC[C@@H](O)C[C@H](SC[C@@H](C(=O)O)N(C)C(=O)CC(C)C)[C@H](C)O ZINC000034505761 FD Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)C3=C(CC[C@H]12)[C@H](O)[C@](C)([C@H](O)CO)CC3=O ZINC000034578279 FD Annotated Mild CC(=O)O[C@@H]1[C@H]2[C@](C)(O)CC[C@@H](OC(C)=O)[C@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]21 ZINC000034587087 FD Annotated Anodyne Cc1nn(Cc2ccc(F)cc2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O ZINC000034600337 FD Annotated Anodyne CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1[C@@H](O)[C@@H]2O)OCO3 ZINC000034628344 FD Annotated Anodyne CCOC(=O)c1cn2c3c([nH]c(=O)c2n1)-c1ccc(NC(=O)NC)cc1C3 ZINC000034633870 FD Annotated Anodyne Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3cccc(C(=O)O)c3)oc12 ZINC000034633917 FD Annotated Anodyne C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N ZINC000034634852 FD Annotated Reactive C[C@H]1CCCN1CCN1CCN(CCN2CCC[C@@H]2C)C1=C(C#N)C#N ZINC000034634853 FD Annotated Reactive COc1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000034640810 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCOCC3)c(F)c2F)C(=O)O1 ZINC000034641180 FD Annotated Anodyne CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3 ZINC000034650064 FD Annotated Anodyne CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)C1 ZINC000034651109 FD Annotated Anodyne O=C(O[C@H]1CCN2C[C@@H]3C[C@@H](CN4C(=O)CCC[C@H]34)[C@@H]2[C@@H]1O)c1ccc[nH]1 ZINC000034773579 FD Annotated Anodyne Nc1ncnc2c(CN3C[C@H](O)[C@H](CSCc4ccccc4)C3)n[nH]c12 ZINC000034803671 FD Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](O)[C@H](CSc4ccncc4)C3)c[nH]c21 ZINC000034803677 FD Annotated Anodyne N[C@H]1NC=Nc2c(CN3C[C@H](CSc4ccncc4)[C@@H](O)C3)c[nH]c21 ZINC000034803681 FD Annotated Anodyne CC(=O)O[C@H]1C=C(C=O)[C@](O)(C=O)[C@]2(C)[C@@H]1C(C)(C)CC[C@H]2OC(C)=O ZINC000034809163 FD Annotated Reactive CCN1CCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)CC1 ZINC000034858333 FD Annotated Anodyne CC(C)n1cnc2ccc3nc(/C(N)=N/CCN(C)C)sc3c2c1=O ZINC000034867382 FD Annotated Mild C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](C)(O)C2 ZINC000034870135 FD Annotated Anodyne in-vitro C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@H]23 ZINC000034871303 FD Annotated Bother in-vitro C=C1C(=O)O[C@H]2C/C(CO)=C/CC/C(COC(=O)C(C)(C)O)=C/C[C@H]12 ZINC000034950903 FD Annotated Mild COn1cc([C@H]2CCN=C(NC(C)=O)N2)c2cc(Br)ccc21 ZINC000034985646 FD Annotated Anodyne COn1cc([C@@H]2CCN=C(NC(C)=O)N2)c2cc(Br)ccc21 ZINC000034985647 FD Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@@H]2C3=C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]3OC[C@@H]12 ZINC000034985752 FD Annotated Mild C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@@H]2/C(=C\[C@H](O)[C@@H]3OC3(C)C)C(=O)OC[C@@H]12 ZINC000034985755 FD Annotated Mild C=Cc1cccc(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c1 ZINC000034986213 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2Cl)[nH]c1=O ZINC000034987532 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(Cl)c2)[nH]c1=O ZINC000034987533 FD Annotated Anodyne CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(Cl)cc2)[nH]c1=O ZINC000034987651 FD Annotated Anodyne CCSc1nnc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)s1 ZINC000003565564 FD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2cc[nH]n2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591244 FD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2ccno2)CC1)c1c[nH]c2cccc(F)c12 ZINC000003591249 FD Annotated Anodyne CC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ncccc3N)CC2)nc1 ZINC000003592329 FD Annotated Anodyne O=C(O)c1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596903 FD Annotated Mild CN(C)c1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596905 FD Annotated Mild O=[N+]([O-])c1ccc(-c2nnn(CC#CI)n2)cc1 ZINC000003596926 FD Annotated Mild C[C@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cccc3nonc23)C1 ZINC000003620082 FD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)c2cccc3nonc23)C1 ZINC000003620084 FD Annotated Anodyne C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)c2cccc3nonc23)C1 ZINC000003620087 FD Annotated Anodyne C[C@H](NC(=O)c1ccccc1SC(=O)NCCBr)C(N)=O ZINC000003633300 FD Annotated Reactive CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)c1ccccc1 ZINC000003643091 FD Annotated Mild CN1C(=O)[C@@]2(Cc3ccccc3)SSS[C@]1(CO)C(=O)N2C ZINC000003643805 FD Annotated Reactive CC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000003644710 FD Annotated Anodyne Cc1c(N2C[C@@H]3C[C@H]2CN3)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000003646693 FD Annotated Anodyne CCC1=C(C)[C@@H]2OC(O)(O)C[C@@H](CC3=CC4=C(C(=O)C=CC4=O)C(=O)[C@@H]32)O1 ZINC000003647290 FD Annotated Mild in-vitro CCC1=C(C)[C@@H]2OC(O)(O)C[C@@H](CC3=CC4=C(C(=O)C=CC4=O)C(=O)[C@H]32)O1 ZINC000003647292 FD Annotated Mild in-vitro CN(C)c1ccc(-c2nc(NCCN3CCOCC3)[nH]c(=O)c2C#N)cc1 ZINC000003649563 FD Annotated Mild CC1CCN(CCCNC(=O)CN2C(=S)NC(C)(C)C[C@@H]2C)CC1 ZINC000003654880 FD Annotated Anodyne CC1CCN(CCCNC(=O)CN2C(=S)NC(C)(C)C[C@H]2C)CC1 ZINC000003654881 FD Annotated Anodyne COC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)cc1 ZINC000003660516 FD Annotated Anodyne O=C(CCS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)N1CCc2ccccc21 ZINC000003660527 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000003660547 FD Annotated Anodyne O=C(O)c1ccc(N2CCOCC2)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000003672456 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCO5 ZINC000003784330 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCO5 ZINC000003784929 FD Annotated Anodyne C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(CN4CCCC4)cc3)C[C@H]12 ZINC000003789108 FD Annotated Anodyne CN1CCN(c2c(N)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1 ZINC000003789644 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(NC[C@H]2CNCCN2c2ccccc2)cc1 ZINC000003796601 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(OC[C@@H]2CN(c3ccccc3)CCN2)cc1 ZINC000003796605 FD Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000003808674 FD Annotated Anodyne CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12 ZINC000003811563 FD Annotated Anodyne C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12 ZINC000003811564 FD Annotated Mild N=C(N)c1ccc(C2=NO[C@@H](CC(=O)N3CCCC[C@H]3CC(=O)O)C2)cc1 ZINC000003812538 FD Annotated Anodyne C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccccc2)cc1)C(=O)NO ZINC000003818661 FD Annotated Mild Cc1c(N2CC[C@@H](CN)C2)c(F)c2c(c1N)c(=O)c(C(=O)O)cn2C1CC1 ZINC000003827697 FD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCc1ccc(F)cc1 ZINC000003896559 FD Annotated Anodyne O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NCCc1ccccc1 ZINC000003896564 FD Annotated Anodyne CCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000003905717 FD Annotated Anodyne CCc1nnc(NC(=O)NCCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000003905718 FD Annotated Anodyne C[C@@H]1CCCCN1C(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000003906642 FD Annotated Anodyne Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccco3)c2N)cc1 ZINC000003906907 FD Annotated Anodyne CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C)cc32)CC1 ZINC000003907217 FD Annotated Anodyne Cc1ccc2c(c1)N([C@@H](C)C(=O)N1CCC3(CC1)OCCO3)C(=O)CO2 ZINC000003907271 FD Annotated Anodyne Cc1ccc2c(c1)N([C@H](C)C(=O)N1CCC3(CC1)OCCO3)C(=O)CO2 ZINC000003907272 FD Annotated Anodyne Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccc([N+](=O)[O-])cc3)oc12 ZINC000003911076 FD Annotated Bother O=C1C(O)=CC2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12[C@@H](O)C=C[C@H]3O ZINC000003916976 FD Annotated Mild O=C1C(O)=CC2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12[C@@H](O)CC[C@H]3O ZINC000003916978 FD Annotated Mild CC(=O)OCc1c2c(n3c1[C@H](OC(C)=O)CC3)C(=O)C(C)=C(N1CC1)C2=O ZINC000003918313 FD Annotated Mild COC1=CC(=O)c2c(c(COC(C)=O)c3n2CCC[C@H]3OC(C)=O)C1=O ZINC000003918314 FD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(/C=N\O)c3)c(F)c2)C(=O)O1 ZINC000003918629 FD Annotated Mild CNC(=O)Nc1ccc2c(c1)[C@@H](CC(=O)O)c1c-2[nH]c(=O)c2nccn12 ZINC000003924254 FD Annotated Anodyne COC1=C(C)C(=O)c2c(c(COC(C)=O)c3n2CC[C@H]3OC(C)=O)C1=O ZINC000003924676 FD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[N+]4(C)CCCC4)cc3)C[C@H]12 ZINC000003924993 FD Annotated Bother CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N\OC)cn3)o2)nc1 ZINC000003926351 FD Annotated Mild C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CSC(=S)N3CCCC3)S[C@H]12 ZINC000003927508 FD Annotated Anodyne COc1c(N2CCC[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000003941691 FD Annotated Anodyne CCOCCN/C(N)=N\c1nc(-c2ccc(CNC(C)=O)o2)cs1 ZINC000003944563 FD Annotated Mild CO[C@@H]1OC(C(=O)NCCCN(C)C)=CC2=C1C(=O)c1ccccc1C2=O ZINC000003945689 FD Annotated Mild CCC[C@H]1O[C@H](CC(=O)OC)[C@H](O)C2=C1C(=O)c1c(O)cccc1C2=O ZINC000003946077 FD Annotated Mild O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CC[C@@H](O)C[C@H]2O1 ZINC000003953200 FD Annotated Clean CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1csnn1)CC2 ZINC000003956262 FD Annotated Anodyne Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21 ZINC000003958994 FD Annotated Anodyne COCCCNC(=O)[C@@H]1[C@@H]2C(=O)N(Cc3ccc(C)cc3)C[C@]23C=C[C@H]1O3 ZINC000003959039 FD Annotated Anodyne COCCCNC(=O)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccc(C)cc4)C(=O)[C@@H]13)O2 ZINC000003959040 FD Annotated Anodyne N#CCn1cc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)nn1 ZINC000003986872 FD Annotated Mild CC(=S)NC[C@H]1CN(c2ccc3c(c2)C[C@@H](C)N3C(=O)CO)C(=O)O1 ZINC000003994577 FD Annotated Anodyne CN1CCn2c(nc(C(=O)NCc3ccc(F)cc3)c(O)c2=O)C1(C)C ZINC000035017616 FD Annotated Anodyne CC1(C)NCCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O ZINC000035017726 FD Annotated Anodyne C[C@@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@](O)(CO)[C@](O)(C[C@H](O)[C@H]12)C3 ZINC000035066338 FD Annotated Anodyne Cc1ccc(S(=O)(=O)Cc2nc(C)n(C[C@@H](C)O)c2[N+](=O)[O-])cc1 ZINC000035075785 FD Annotated Bother Cc1ccc(S(=O)(=O)Cc2nc(C)n(C[C@H](C)O)c2[N+](=O)[O-])cc1 ZINC000035075786 FD Annotated Bother CCOC(=O)c1c(C)nn2c(=O)n(-c3ccc(C(F)(F)F)cc3)nnc12 ZINC000035245065 FD Annotated Anodyne C[C@@]12CC[C@@H](O)[C@](C)(CO)[C@H]1CC=C1C[C@H](C(O)(CO)CO)CC[C@H]12 ZINC000035261406 FD Annotated Anodyne CCC[C@H](O)c1c(O)cccc1[C@]1(O)CC(=O)C/C1=C\[C@H](O)CC(=O)O ZINC000035270857 FD Annotated Anodyne CCC[C@@H](O)c1c(O)cccc1[C@]1(O)CC(=O)C/C1=C\[C@H](O)CC(=O)O ZINC000035270860 FD Annotated Anodyne CCC[C@H](O)c1c(O)cccc1[C@@]1(O)CC(=O)C/C1=C\[C@H](O)CC(=O)O ZINC000035270861 FD Annotated Anodyne CCC[C@@H](O)c1c(O)cccc1[C@@]1(O)CC(=O)C/C1=C\[C@H](O)CC(=O)O ZINC000035270863 FD Annotated Anodyne O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000035323200 FD Annotated Bother CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000035325273 FD Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000035456799 FD Annotated Mild biogenic C=C[C@]1(C)C[C@H](OC(=O)[C@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000035456803 FD Annotated Mild biogenic C=C[C@@]1(C)C[C@H](OC(=O)[C@@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000035456808 FD Annotated Mild C=C[C@@]1(C)C[C@H](OC(=O)[C@H](C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000035456811 FD Annotated Mild C=Cc1ccc(Cc2ccccc2O[C@@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000035792172 FD Annotated Anodyne COCCNC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O ZINC000035813857 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](O)[C@H]1C(=O)OC[C@H]1O ZINC000035814536 FD Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@H](O)[C@@H]1C(=O)OC[C@H]1O ZINC000035814538 FD Annotated Mild O=C(CCl)N[C@@H](Cc1ccco1)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000035825672 FD Annotated Reactive O=C(CCl)N[C@H](Cc1ccco1)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000035825673 FD Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)[C@]2(O)OC(=C(C)C2=O)[C@H]1O ZINC000035825703 FD Annotated Mild CC(=O)O[C@H]1C=C2c3cc4c(cc3C(=O)N[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 ZINC000035846903 FD Annotated Anodyne CC(C)(O)/C=C/C=C(/C=O)[C@H]1CC[C@@]2(C)C[C@](O)(CC[C@H]2O)[C@@H]1C=O ZINC000035876388 FD Annotated Reactive C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)C(=O)[C@]2(O)O[C@@H]1C(=O)[C@@H]2C ZINC000035876686 FD Annotated Mild CN(C)c1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000035876952 FD Annotated Anodyne CC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@H]23)OCO5 ZINC000035877979 FD Annotated Anodyne O=C(O)C[C@H]1CNC(=O)c2cc(Br)c(Br)n21 ZINC000035906582 FD Annotated Anodyne C[C@@H]1[C@@H]2C(=O)C[C@@H]3[C@@]([C@H](O)C[C@@H]4[C@@](C)(CO)CCC[C@]43C)([C@@H]2O)[C@@H]1O ZINC000035906595 FD Annotated Anodyne CC(=O)c1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000035906921 FD Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)[C@]2(O)OC(=C(C)C2=O)[C@@H]1O ZINC000035942331 FD Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1[C@H](O)C[C@@]1(CO1)[C@@H]2C/C=C1/C(=O)OC[C@H]1O ZINC000035950425 FD Annotated Anodyne N#Cc1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000035979422 FD Annotated Mild CO/C(N)=N/S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000036107569 FD Annotated Mild N[C@H]1N=CNc2c(CN3C[C@@H](COCc4ccccc4)[C@@H](O)C3)c[nH]c21 ZINC000036143643 FD Annotated Anodyne N[C@H]1N=CNc2c(CN3C[C@H](O)[C@@H](COCc4ccccc4)C3)c[nH]c21 ZINC000036143649 FD Annotated Anodyne CCNC(=O)c1cccc(/N=c2\c(O)c(O)\c2=N/c2ccccc2)c1O ZINC000036143796 FD Annotated Clean COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000036242749 FD Annotated Anodyne COc1ccc(C2(C(=O)O)CCCCC2)cc1[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O ZINC000036242751 FD Annotated Anodyne N#CC(C#N)=C1N(CCN2CCCCC2)CCN1CCN1CCCCC1 ZINC000036289092 FD Annotated Reactive C[C@@H]1CCCN1CCN1CCN(CCN2CCCCC2)C1=C(C#N)C#N ZINC000036289096 FD Annotated Reactive C[C@H]1CCCN1CCN1CCN(CCN2CCCCC2)C1=C(C#N)C#N ZINC000036289097 FD Annotated Reactive C[C@@H]1CCCN1CCN1CCN(CCN2CCC[C@H]2C)C1=C(C#N)C#N ZINC000036289098 FD Annotated Reactive C=CC[C@]1(C(=O)N2CCOCC2)COC(c2ccc(OCCCO)cc2)=N1 ZINC000036376029 FD Annotated Mild C/C(=N\N)[C@H]1C(=O)N=c2ccc(Br)cc2=C1c1ccccc1 ZINC000036378050 FD Annotated Mild C/C(=N\N)[C@@H]1C(=O)N=c2ccc(Br)cc2=C1c1ccccc1 ZINC000036378051 FD Annotated Mild O=C1C[C@H](O)[C@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/CO)[C@@H]2C[C@H]31 ZINC000036378891 FD Annotated Anodyne O=C1C[C@@H](O)[C@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/CO)[C@@H]2C[C@H]31 ZINC000036378892 FD Annotated Anodyne Nc1scc2c(C(=O)N3CCOCC3)nn(-c3ccccc3)c(=O)c12 ZINC000036380594 FD Annotated Anodyne COc1ccc(CCn2c3c(c(=O)[nH]c2=S)CN(C)CN3)cc1OC ZINC000036380774 FD Annotated Anodyne CS(=O)(=O)c1ccccc1-c1csc(N2CCC(C(N)=O)CC2)n1 ZINC000036380791 FD Annotated Anodyne CS(=O)(=O)c1ccc(-c2csc(N3CCC(C(N)=O)CC3)n2)cc1 ZINC000036380814 FD Annotated Anodyne CCCN1CNc2c(c(=O)[nH]c(=O)n2CCc2ccc(OC)c(OC)c2)C1 ZINC000036380991 FD Annotated Anodyne COc1cc2c(cc1OC)CS[C@@H]1C(=O)N(C)[C@H](SC2)C(=O)N1C ZINC000036381738 FD Annotated Anodyne COC1=C[C@H](C(=O)NCCNC(C)=O)[C@]2(C)Cc3ccccc3[C@H]2CC1=O ZINC000036381808 FD Annotated Mild COC1=C[C@H](C(=O)NCCNC(C)=O)[C@H](C)[C@@H](c2ccccc2)CC1=O ZINC000036381824 FD Annotated Mild Cc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382416 FD Annotated Anodyne Cc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000036382417 FD Annotated Anodyne C=CCN([C@H](C(=O)OC)C(C)C)S(=O)(=O)CCNCc1ccccc1 ZINC000036382899 FD Annotated Mild COc1ccccc1CN1Cc2cccc3c2[C@@H](CC1=O)[C@H](O)[C@H](O)C3 ZINC000036383065 FD Annotated Anodyne COc1cccc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)c1 ZINC000036383119 FD Annotated Anodyne COc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCN)cc1 ZINC000036383472 FD Annotated Bother CCCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000036383542 FD Annotated Anodyne C[C@]1(CC/C(=C/CO)CO)[C@H](CO)CC[C@@]23COC(=O)C2=CCC[C@@H]31 ZINC000036383967 FD Annotated Anodyne COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036384256 FD Annotated Anodyne Cc1nn(CC(=O)NC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)c(=O)c(C#N)c1C ZINC000036384454 FD Annotated Mild Cc1nn(CC(=O)NC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(=O)c(C#N)c1C ZINC000036384456 FD Annotated Mild Cc1cccc(CN2CCN(Cc3cccc4nonc34)C[C@H]2CCO)n1 ZINC000036385847 FD Annotated Anodyne CCOC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000036387796 FD Annotated Anodyne CCN(CC)C(=O)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000036388130 FD Annotated Anodyne COC(=O)C1=C(c2cccc(C#N)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO ZINC000036388583 FD Annotated Mild CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)[C@@H](C)NC(=O)[C@@]12C ZINC000036388984 FD Annotated Anodyne Cc1cc(C)c(CN2CCN(C(=O)Cn3ccc(N)nc3=O)CC2)c(C)c1 ZINC000036389490 FD Annotated Anodyne CC(=O)OC[C@]12CC/C=C(\C)C(=O)C[C@]3(C[C@H]1O2)O[C@]3(C)COC(C)=O ZINC000036434452 FD Annotated Mild CC1=C(C(C)C)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4([C@H](O)[C@@H](C)CC[C@]34O)[C@@]12O ZINC000036434459 FD Annotated Anodyne in-vitro biogenic CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3c(nc21)N1CCC[C@H]1C(=O)N3 ZINC000036471453 FD Annotated Anodyne CC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(C)=O)[C@@H]23)OCO5 ZINC000036493614 FD Annotated Anodyne in-vivo COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c(OC)c1 ZINC000037858862 FD Annotated Anodyne COc1cc2c(cc1OC)CS[C@H]1C(=O)N(C)[C@@H](SC2)C(=O)N1C ZINC000037865789 FD Annotated Anodyne CCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797790 FD Annotated Anodyne CCOc1ccc2[nH][n+](=O)c3c(I)cnn3c2c1 ZINC000377797795 FD Annotated Anodyne C#CCOc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O ZINC000377797801 FD Annotated Mild CC(=O)Oc1ccccc1C(=O)Nc1c(C#N)n(O)c2ccccc2[n+]1=O ZINC000377810372 FD Annotated Mild O=[n+]1c(NCCCN2CCOCC2)cn(O)c2cc3c(cc21)CCCO3 ZINC000377811453 FD Annotated Anodyne COC1=CC2=C3C=c4c(OC)c(OC)c(OC)cc4=CN3CCC2=CC1=O ZINC000377815970 FD Annotated Mild CO[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32 ZINC000377819688 FD Annotated Mild CO[C@@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31C1=C3c5c(c[nH]c5C(=O)C1=N4)CCN32 ZINC000377819689 FD Annotated Mild O=[n+]1[nH]c2c(-c3nc[nH]n3)cnn2c2cc(OCc3ccncc3)ccc21 ZINC000377845528 FD Annotated Anodyne O=C1C2=N[C@H]3C[C@@]45C[C@@](O)(C(=O)C=C4S3)N3CCc4c[nH]c1c4C3=C25 ZINC000377845678 FD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])s2)[n+](=O)c2ccccc2n1O ZINC000377845806 FD Annotated Mild N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])o2)[n+](=O)c2ccc(F)cc2n1O ZINC000377845813 FD Annotated Mild COc1ccc2c(c1)n(O)c(C#N)c(NC(=O)c1ccc([N+](=O)[O-])o1)[n+]2=O ZINC000377845815 FD Annotated Mild CCCC/C=C\N(NC(C)=O)C(=O)[C@H](CO)N[N+](=O)CCCCCC ZINC000377848899 FD Annotated Reactive CCCC/C=C\N(NC(C)=O)C(=O)[C@@H](CO)N[N+](=O)CCCCCC ZINC000377848900 FD Annotated Reactive O=C(O)C1=CCS[C@@H]2[C@H](N=c3ccn(Cc4ccccc4)cc3)C(=O)N12 ZINC000377866945 FD Annotated Anodyne COc1cc2c(cc1OC)CS[C@@H]1C(=O)N(C)[C@@H](SC2)C(=O)N1C ZINC000038142244 FD Annotated Anodyne COC1=C[C@H](C(=O)NCCNC(C)=O)[C@@]2(C)Cc3ccccc3[C@H]2CC1=O ZINC000038142282 FD Annotated Mild C=CCN([C@@H](C(=O)OC)C(C)C)S(=O)(=O)CCNCc1ccccc1 ZINC000038143031 FD Annotated Mild COc1ccc2c(=O)n(C[C@@H](O)CO)c(C#N)c(-c3ccccc3)c2c1 ZINC000038149673 FD Annotated Mild COc1ccc2c(=O)n(C[C@H](O)CO)c(C#N)c(-c3ccccc3)c2c1 ZINC000038149674 FD Annotated Mild Cc1ccc(S(=O)(=O)ON2C(=O)c3ccc(N(C)C)cc3C2=O)cc1 ZINC000038152146 FD Annotated Mild C[C@@H]1CC/C(=N\Nc2ccc(CC(=O)O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153712 FD Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(CC(=O)O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000038153713 FD Annotated Mild COc1ccc(CC(=O)NCC(=O)NN/C=C2\C=Nc3ccccc32)cc1 ZINC000038160035 FD Annotated Reactive O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)NN/C=C1\C=Nc2ccccc21 ZINC000038162958 FD Annotated Reactive CCCCCCC1=Cc2c/c(=C(\C)N/N=C(\N)S)c(=O)oc2=CC1=O ZINC000038170398 FD Annotated Mild CC1=NC=C(CO)/C(=C/NNC(=O)c2ccccc2Br)C1=O ZINC000038179762 FD Annotated Reactive CC1=NC=C(CO)/C(=C/NNC(=O)c2ccc(Br)cc2)C1=O ZINC000038191328 FD Annotated Reactive CC(=O)Oc1ccccc1C(=O)NCCSSCCO[N+](=O)[O-] ZINC000038208758 FD Annotated Reactive [O-][n+]1ccc(CCOc2ccc3c(O)cc(=[N+]4CCOCC4)oc3c2)cc1 ZINC000038208936 FD Annotated Anodyne COC(=O)[C@]1(O)C[C@H]2C[C@@H]([C@H](C)O)CN3CCc4c(n1c1ccccc41)[C@@H]23 ZINC000038231139 FD Annotated Anodyne CCOc1ccc(N2C(=O)C(SCCO)=C(SCCO)C2=O)cc1 ZINC000038238490 FD Annotated Anodyne C[C@@H]1CN2C[C@H]3CCC(=O)OCC[C@@H]4CC5=C(C4=O)C(=O)[C@]1(O)C[C@@H]2[C@]53C ZINC000038252599 FD Annotated Mild COc1ccc([C@@H]2C3(C=CC(=O)C=C3)C[C@]3(O)N(C)C(N)=N[C@]23OC)cc1 ZINC000038261095 FD Annotated Mild CC(=O)O[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@H]12 ZINC000038267077 FD Annotated Anodyne C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@]5(O)OC4)[C@@H]1OC[C@@H]2O ZINC000038267285 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@H](O)[C@H]([C@H]12)[C@H]5C[C@H]43 ZINC000038307174 FD Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(CO[C@@H]2COC(C)=O)[C@H]3C1)OCO5 ZINC000038321641 FD Annotated Anodyne CO[C@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)/C=C/c2ccc(O)cc2)O1 ZINC000038345312 FD Annotated Anodyne COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12 ZINC000038464734 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H]4OC[C@](C)([C@@H](O)C[C@@H]1OC3=O)[C@@H]42 ZINC000038543568 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000038618919 FD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H]2C=C[C@H]3C[C@H](O)C[C@@H]4CC(=O)/C(=C\[C@H]3[C@@H]2C[C@H]1C)C(=O)O4 ZINC000038622591 FD Annotated Mild O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@](C=C[C@@H]5O)(O3)O2)[C@@H]2O[C@H]12 ZINC000038698079 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000038793072 FD Annotated Mild in-vitro biogenic O=C(O)C[C@@H]1CNC(=O)c2cc(Br)c(Br)n21 ZINC000038793278 FD Annotated Anodyne O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@](CC[C@@H]5O)(O3)O2)[C@@H]2O[C@H]12 ZINC000038794571 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000038824532 FD Annotated Mild CC1=C(Cl)C(=O)[C@@]2(C)C1=CC(=O)[C@@]1(C)[C@H]3C(=O)O[C@H]([C@@H]3C)[C@H](O)[C@H]21 ZINC000038894673 FD Annotated Mild in-vitro biogenic O=C1C=C2S[C@H]3C[C@@]24C[C@]1(O)N1CCc2c[nH]c5c(O)c(c4c1c25)N3 ZINC000038894815 FD Annotated Mild COc1cc([C@@H](O)[C@H](O)COC(=O)C(C)C)ccc1OC(=O)C(C)C ZINC000038930203 FD Annotated Anodyne O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@]3(O2)[C@@H]2O[C@@H]2C5=O)[C@@H]2O[C@H]12 ZINC000038931574 FD Annotated Anodyne O=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@@H]5O ZINC000038931964 FD Annotated Mild CCCC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1CC=CC(=O)O1 ZINC000038933083 FD Annotated Anodyne Cc1ccc2c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(O)c(C)c(O)c2c1 ZINC000038986498 FD Annotated Anodyne O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@@]13C[C@@H](N2)SC1=CC(=O)[C@H]1O[C@H]13 ZINC000039008329 FD Annotated Mild C=C1C(=O)C(C(C)C)=C2C[C@H](O)[C@H](C)[C@@H]3CC[C@](O)(COC)C3=C[C@@]12O ZINC000039030750 FD Annotated Mild Cc1cn(CO[C@@H]2C[P@](=O)(Oc3ccccc3)O[C@H]2C)c(=O)[nH]c1=O ZINC000039096085 FD Annotated Anodyne Cc1cn(CO[C@@H]2C[P@@](=O)(Oc3ccccc3)O[C@H]2C)c(=O)[nH]c1=O ZINC000039096086 FD Annotated Anodyne O=C1CCC(=O)[C@]2(O)[C@H]1C[C@H]1O[C@H]1C21Oc2cccc3cccc(c23)O1 ZINC000039138132 FD Annotated Anodyne COC(=O)[C@H]1CCN2C[C@@H](OC(=O)CCc3ccc(O)c(OC)c3)C[C@H]12 ZINC000039178733 FD Annotated Anodyne CC(=O)[C@@H]1CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000039205664 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@@H]([C@H]12)[C@H]5C[C@H]43 ZINC000039205788 FD Annotated Anodyne C=CCOn1cc(C(=O)O)c(=O)c2c3sc(=O)n(CC=C)c3ccc21 ZINC000039215009 FD Annotated Mild CCOC(=O)C(=O)Nc1cc(C#N)c(Cl)c(NC(=O)C(=O)OCC)c1 ZINC000039333566 FD Annotated Mild CCCc1cc(=O)[nH]c(-c2cccc(CN3CCN(C)[C@H](CCO)C3)c2)n1 ZINC000039357763 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000039365875 FD Annotated Mild CCOC(=O)CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1 ZINC000039412690 FD Annotated Anodyne COC(=O)CN(C)Cc1cnc(S(C)(=O)=O)n1CC1CCCCC1 ZINC000039437809 FD Annotated Anodyne CC(C)=CCN1CCNC(=O)[C@H]1CC(=O)NCCc1nc(C)c(C)s1 ZINC000039467571 FD Annotated Anodyne CC(C)=CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1nc(C)c(C)s1 ZINC000039467573 FD Annotated Anodyne Cn1ncc(N2CC[C@H](CNC3CCN(Cc4ccco4)CC3)C2)cc1=O ZINC000039500123 FD Annotated Anodyne Cn1ncc(N2CC[C@@H](CNC3CCN(Cc4ccco4)CC3)C2)cc1=O ZINC000039500124 FD Annotated Anodyne O=C(CCn1cnnn1)NCc1cccnc1N1CCc2ccccc2C1 ZINC000039551753 FD Annotated Anodyne CCOC(=O)c1cn(NC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O ZINC000039632125 FD Annotated Anodyne CNn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(C)C)CC3)cc21 ZINC000039632138 FD Annotated Anodyne COC(=O)CSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 ZINC000039930613 FD Annotated Anodyne O=C(C[C@@H](C(=O)N1CCc2ccccc21)n1ccnc1)NC[C@@H]1CCCO1 ZINC000004004141 FD Annotated Anodyne CCOC(=O)C1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1 ZINC000004033664 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000004035669 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1ccc2c(c1)OCCO2 ZINC000004035670 FD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039704 FD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@@H]2C(=O)NCCO)cc1 ZINC000004039706 FD Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccccc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039709 FD Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccccc3)[C@H]2C(=O)NCCO)cc1 ZINC000004039713 FD Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004049146 FD Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049147 FD Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 ZINC000004049148 FD Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 ZINC000004049149 FD Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049455 FD Annotated Anodyne O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049456 FD Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 ZINC000004049457 FD Annotated Anodyne O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 ZINC000004049458 FD Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@@H]3C(=O)NCc3ccccn3)sc2n1 ZINC000004057233 FD Annotated Anodyne Cc1cc(=O)n2nc(N3CCC[C@H]3C(=O)NCc3ccccn3)sc2n1 ZINC000004057234 FD Annotated Anodyne CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004079187 FD Annotated Anodyne CC(C)(C)c1nnc(NC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004079190 FD Annotated Anodyne C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000004097750 FD Annotated Mild in-vitro biogenic CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@]3(O)C[C@H]1[C@H]2[C@H]3O ZINC000004097818 FD Annotated Anodyne in-vitro C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@H](O)c1ccoc1)[C@@H](O)OC[C@]342 ZINC000004097936 FD Annotated Mild in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)CO[C@H](O)[C@H]21)COC3=O ZINC000004097947 FD Annotated Mild in-vitro biogenic C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000004098029 FD Annotated Mild in-vitro biogenic CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C ZINC000004098101 FD Annotated Mild in-vitro biogenic CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2nsnc12 ZINC000004101598 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)NCCc1ccccc1Cl ZINC000004102025 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)NCCc1ccccc1Cl ZINC000004102027 FD Annotated Anodyne CCCCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 ZINC000004102033 FD Annotated Anodyne C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(CO)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O ZINC000004102242 FD Annotated Mild in-vitro C[C@H]1C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O ZINC000004102285 FD Annotated Anodyne in-vitro Cc1ccc(CS(=O)(=O)CCC(=O)N2CCC3(CC2)OCCO3)cc1 ZINC000004111035 FD Annotated Anodyne CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)s1 ZINC000004124887 FD Annotated Anodyne CC(C)c1nnc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000004124888 FD Annotated Anodyne CN1C(=O)[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000004141707 FD Annotated Anodyne CN1C(=O)[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]21 ZINC000004141708 FD Annotated Anodyne Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1 ZINC000004143167 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000004153972 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000004153973 FD Annotated Anodyne CCOC(=O)c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 ZINC000004155004 FD Annotated Reactive CCOC(=O)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 ZINC000004155005 FD Annotated Reactive COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O ZINC000004161347 FD Annotated Anodyne CCOC(=O)CCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 ZINC000004162985 FD Annotated Anodyne CC(=O)N1CCN(CC/N=C/C2=C(O)C[C@@H](c3ccco3)CC2=O)CC1 ZINC000004181184 FD Annotated Mild O=C(CN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O)Nc1ccc(C(=O)O)cc1 ZINC000004197324 FD Annotated Anodyne CC(C)NC(=O)N1CCCC2(CCN(C(=O)c3csnn3)CC2)C1 ZINC000004238013 FD Annotated Anodyne Cc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2cccs2)c1=O ZINC000004238349 FD Annotated Anodyne N#CCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21 ZINC000004238352 FD Annotated Mild N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238354 FD Annotated Mild N#Cc1cccc(-c2nc3cnc(N4CCNCC4)nc3n(C3CC3)c2=O)c1 ZINC000004238528 FD Annotated Mild Cc1nc2cnc(N3CCNCC3)nc2n(Cc2ccc(F)cc2)c1=O ZINC000004238535 FD Annotated Anodyne Cc1nc2cnc(N3CCNCC3)nc2n(CCc2ccccc2)c1=O ZINC000004238556 FD Annotated Anodyne COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCOCC3)nc21 ZINC000004238699 FD Annotated Anodyne N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCOCC3)nc21 ZINC000004238728 FD Annotated Mild COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N(C)C)nc21 ZINC000004238781 FD Annotated Anodyne COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCOCC3)nc21 ZINC000004238863 FD Annotated Anodyne CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(C)c3n2)CC1 ZINC000004238937 FD Annotated Anodyne COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(C)c2=O)cc1 ZINC000004238955 FD Annotated Anodyne Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc21 ZINC000004238973 FD Annotated Anodyne COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N(C)C)nc21 ZINC000004239012 FD Annotated Anodyne Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc21 ZINC000004239036 FD Annotated Anodyne Cc1nc2cnc(N3CCN(C)CC3)nc2n(Cc2ccc(F)cc2)c1=O ZINC000004239098 FD Annotated Anodyne COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N(C)C)nc21 ZINC000004239106 FD Annotated Mild O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCNCC3)nc2n1C1CC1 ZINC000004239118 FD Annotated Anodyne O=c1c(-c2cccs2)nc2cnc(N3CCNCC3)nc2n1C1CC1 ZINC000004239165 FD Annotated Anodyne CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(C)c3n2)CC1 ZINC000004239174 FD Annotated Anodyne N#CCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCOCC3)nc21 ZINC000004239181 FD Annotated Mild CCCC[C@H](Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(=O)O ZINC000004248919 FD Annotated Anodyne CCCC[C@@H](Sc1nc(N)c(NC(=O)c2ccco2)c(=O)[nH]1)C(=O)O ZINC000004248920 FD Annotated Anodyne Cc1c(O)nc2nnc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)n2c1C ZINC000004250458 FD Annotated Anodyne Cc1c(O)nc2nnc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)n2c1C ZINC000004250459 FD Annotated Anodyne CCCN1C(=O)[C@@H]2[C@@H](CCN2C(=O)COC)N(Cc2cccs2)C1=O ZINC000004260471 FD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004296274 FD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCO)c(OC)c1 ZINC000004296275 FD Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004296277 FD Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCO)c(OC)c1 ZINC000004296278 FD Annotated Anodyne O=S(=O)(C/C(=C/CO)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000004312968 FD Annotated Anodyne O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCOCC1 ZINC000004320795 FD Annotated Anodyne S=C(NCc1ccco1)N/N=C\C=N\NC(=S)NCc1ccco1 ZINC000004381854 FD Annotated Mild C[C@H]1C=C[C@H]2CCCC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N2CC[C@H]3C(=O)O[C@@H]1[C@]32O ZINC000004392662 FD Annotated Anodyne O=C(CO)CNNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000004398769 FD Annotated Anodyne Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000004399688 FD Annotated Anodyne Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2CCCO2)c(C)c1 ZINC000004399689 FD Annotated Anodyne Cc1cc(C)c(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000004399690 FD Annotated Anodyne Cc1cc(C)c(NC(=O)C[S@](=O)CC(=O)NC[C@H]2CCCO2)c(C)c1 ZINC000004399691 FD Annotated Anodyne Cc1cc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)no1 ZINC000004479730 FD Annotated Anodyne Cc1cc(NC(=O)N[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)no1 ZINC000004479731 FD Annotated Anodyne C[C@@H](C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)[C@@H](C)C=O ZINC000040375175 FD Annotated Mild C[C@@H](C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)[C@H](C)C=O ZINC000040375178 FD Annotated Mild C[C@H](C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)[C@H](C)C=O ZINC000040375180 FD Annotated Mild CCOC(=O)Cc1n[nH]c(NC(=O)c2ccc(Br)cc2)n1 ZINC000040379466 FD Annotated Anodyne CCOC(=O)/C=C\n1nnc(-c2cccc(I)c2)n1 ZINC000040379812 FD Annotated Anodyne Cc1ccccc1-n1c(=O)c2ccccc2n2c(N3CCNCC3)nnc12 ZINC000040379935 FD Annotated Anodyne COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000040380113 FD Annotated Mild C=C1C[C@H](OC(=O)CC(C)(C)O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040380188 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1C[C@H]3O ZINC000040392879 FD Annotated Mild in-vitro biogenic C[C@@]12CC[C@@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@@H]4C[C@H](O)[C@]3(COC1=O)C2 ZINC000040393058 FD Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@@H]4C[C@H](O)[C@]3(COC1=O)C2 ZINC000040393059 FD Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(COC1=O)C2 ZINC000040393060 FD Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]4C[C@H](O)[C@]3(COC1=O)C2 ZINC000040393061 FD Annotated Anodyne CN(C)CCN1C(=O)c2cccc3cc(N4CCN(C)CC4)cc(c23)C1=O ZINC000040393855 FD Annotated Anodyne C=C1[C@@H](O)C[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000040394459 FD Annotated Mild in-vitro biogenic C=C1C(=O)O[C@H]2[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@](O)(CO)[C@@H](O)C[C@H]12 ZINC000040394750 FD Annotated Mild N[C@H](CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)C(=O)O ZINC000040395344 FD Annotated Anodyne C=C1[C@@H](CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2C[C@H]1O ZINC000040395449 FD Annotated Mild in-vitro biogenic N[C@@H](CN1CCN(c2nc3cc(F)ccc3n3cccc23)CC1)C(=O)O ZINC000040401805 FD Annotated Anodyne COC(=O)[C@H]1[C@H](C)C[C@H](OC(C)=O)[C@H]2C(C)(C)C[C@](C)(C(=O)OC)[C@@]12O ZINC000040402426 FD Annotated Anodyne CCO[P@]1(=O)C(C(=O)OC)=NN(CC)C12C(=O)c1ccccc1C2=O ZINC000040402814 FD Annotated Clean CCO[P@@]1(=O)C(C(=O)OC)=NN(CC)C12C(=O)c1ccccc1C2=O ZINC000040402817 FD Annotated Clean COC(=O)[C@H]1[C@H](C(=O)OC)[C@H](C(=O)c2ccc(F)cc2)N2N=CC=C[C@@H]12 ZINC000040403915 FD Annotated Anodyne CCOC(=O)CSc1nnc(CSc2nc3nc(C)ccn3n2)o1 ZINC000040408180 FD Annotated Anodyne CC(C)Nc1nccc(-c2c[nH]nc2C2CCN(S(C)(=O)=O)CC2)n1 ZINC000040410656 FD Annotated Anodyne C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21 ZINC000040411551 FD Annotated Anodyne CS(=O)(=O)Nc1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12 ZINC000040411876 FD Annotated Anodyne Cc1nc(C)c(CN2CCN(C(=O)C(=O)c3ccccc3)CC2)nc1C ZINC000040420626 FD Annotated Anodyne O=C(Nc1nccnn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000040421465 FD Annotated Anodyne O=C(Nc1nnn[nH]1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 ZINC000040421739 FD Annotated Anodyne COCCNC(=O)c1c(O)[nH]c2cc(Cc3ccc(F)cc3)cnc2c1=O ZINC000040421933 FD Annotated Anodyne C=C1C(=O)O[C@]2(C)CC[C@@H]1C[C@H](O)[C@@]1(C)CC[C@H](O1)[C@](C)(O)CC[C@H]2O ZINC000040422361 FD Annotated Mild O/N=C\c1cc[n+](COC/C=C\COC[n+]2ccc(/C=N/O)cc2)cc1 ZINC000040422375 FD Annotated Mild COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@](C)(O)CO)O2 ZINC000040423237 FD Annotated Bother CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc([S@](C)=O)cc1 ZINC000040423735 FD Annotated Anodyne CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc([S@@](C)=O)cc1 ZINC000040423736 FD Annotated Anodyne C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000040424846 FD Annotated Mild C=CCN(CC=C)C(=O)n1cnc(S(=O)(=O)[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000040424848 FD Annotated Mild CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 ZINC000040429476 FD Annotated Anodyne CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)CCO2)C1 ZINC000040429478 FD Annotated Anodyne O=C(NCCCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O ZINC000040431154 FD Annotated Clean COCC[C@@H](C(=O)Oc1c(OC)cccc1OC)N1CCCOCC1 ZINC000040434397 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CC/C(=C/C#N)C3)c(F)c2)C(=O)O1 ZINC000040447620 FD Annotated Reactive COCC(=O)N(c1ccccc1)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000040461337 FD Annotated Anodyne CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCn2cnnn2)C[C@H]1C ZINC000040461453 FD Annotated Anodyne COC(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1 ZINC000040465253 FD Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCOCC1 ZINC000040465254 FD Annotated Anodyne O=NN(CCF)C(=O)NC1CCC(NC(=O)N(CCCl)N=O)CC1 ZINC000040465356 FD Annotated Reactive COC(=O)C[C@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCC1 ZINC000040465380 FD Annotated Anodyne COC(=O)C[C@@H](C(=O)Oc1c(OC)cc(C)cc1OC)N1CCCC1 ZINC000040465382 FD Annotated Anodyne CC(=O)Nc1cc2c(c(N3CCCCC3)c1C(N)=O)C[C@H](O)C(C)(C)O2 ZINC000040465546 FD Annotated Anodyne C[C@@H]1CC/C(=N/Nc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000040465901 FD Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2C(=O)O)c2ncc(C(=O)NO)c(=O)n21 ZINC000040465904 FD Annotated Mild C[C@@H]1CC/C(=N/Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000040466119 FD Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2C(=O)O)c2ncc(C(=O)O)c(=O)n21 ZINC000040466122 FD Annotated Mild C/N=C(\NC#N)NCCSCCCn1nc(-c2ccccc2)ccc1=O ZINC000040466208 FD Annotated Mild C[C@@H]1CC/C(=N\Nc2ccc(C(=O)O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466270 FD Annotated Mild C[C@H]1CC/C(=N\Nc2ccc(C(=O)O)cc2)c2ncc(C(=O)O)c(=O)n21 ZINC000040466272 FD Annotated Mild CC1(C)C=C(C(=O)NCCCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C(C)(C)N1 ZINC000040466285 FD Annotated Anodyne CC1(C)C[C@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1 ZINC000040466396 FD Annotated Anodyne CC1(C)C[C@@H](C(=O)NCCCN2C(=O)c3ccccc3C2=O)C(C)(C)N1 ZINC000040466399 FD Annotated Anodyne C[C@H](N)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466494 FD Annotated Anodyne C[C@@H](N)[C@@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466496 FD Annotated Anodyne C[C@H](N)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466498 FD Annotated Anodyne C[C@@H](N)[C@H]1CCN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040466501 FD Annotated Anodyne C/N=C(\NC#N)NCCSCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000040466785 FD Annotated Mild CC/N=C(\NC#N)NCCSCCn1nc(-c2ccccc2)ccc1=O ZINC000040466873 FD Annotated Mild CC(=O)Nc1ccc(CNCCNC(=O)C2=CC(C)(C)NC2(C)C)cc1 ZINC000040467012 FD Annotated Anodyne CC(C)O[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000040496348 FD Annotated Clean CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)c2cccs2)C(C)(C)N1 ZINC000040503557 FD Annotated Anodyne CC1(C)C=C(C(=O)NC[C@@H](O)CNC(=O)c2cccs2)C(C)(C)N1 ZINC000040503559 FD Annotated Anodyne CCCCC(=O)O[C@@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000040504884 FD Annotated Mild CCCCC(=O)O[C@H]1CCn2c1nc1c2C(=O)C(C)=C(NC(C)=O)C1=O ZINC000040504888 FD Annotated Mild CC(=O)NC1=C(C)C(=O)c2c(nc3n2CC[C@H]3OC(=O)CCl)C1=N ZINC000040505130 FD Annotated Reactive CC(=O)NC1=C(C)C(=O)c2c(nc3n2CC[C@@H]3OC(=O)CCl)C1=N ZINC000040505133 FD Annotated Reactive CC1=C[C@H]2O[C@@H]3[C@H](O[C@@H]4CCCCO4)[C@@H](O)[C@@](C)([C@]34CO4)[C@@]2(CO)CC1 ZINC000040511519 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1[C@@]3(O)O[C@@H](C)O[C@H]3[C@]2(C)[C@@]12CO2 ZINC000040526069 FD Annotated Anodyne O[C@H]1CN[C@H](CN[C@@H](COCc2cccc(F)c2)c2ccccc2)[C@H]1O ZINC000040538345 FD Annotated Anodyne CC(C)(C)c1cccc2ncn(CC(=O)C[C@H]3NCCC[C@@H]3O)c(=O)c12 ZINC000040556683 FD Annotated Anodyne O=C(C[C@H]1NCCC[C@@H]1O)Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000040563988 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1 ZINC000040565965 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc([C@@H]3C=CS(=O)(=O)CC3)cc2)C(=O)O1 ZINC000040565967 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc3c(c2)N(C=O)C[C@@H]2CCCN32)C(=O)O1 ZINC000040566827 FD Annotated Anodyne COC(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000040566971 FD Annotated Clean NS(=O)(=O)c1cccc(-c2ccc(/C=N/[C@@H]3CCS(=O)(=O)C3)o2)c1 ZINC000040567028 FD Annotated Mild NS(=O)(=O)c1cccc(-c2ccc(/C=N/[C@H]3CCS(=O)(=O)C3)o2)c1 ZINC000040567029 FD Annotated Mild COC(=O)C1=C(C(=O)OC)C(=S)[C@@H]2SC(=S)S[C@@H]2C1=S ZINC000040576972 FD Annotated Clean CC1(C)C=C(C(=O)NCCCNC(=O)[C@H](O)c2ccccc2)C(C)(C)N1 ZINC000040617209 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCCNC(=O)[C@@H](O)c2ccccc2)C(C)(C)N1 ZINC000040617211 FD Annotated Anodyne C[C@@]1(CN)CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C1 ZINC000040631550 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C(C)(C)N1 ZINC000040631700 FD Annotated Anodyne CC(=O)O[C@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(N1CC1)=C(C)C3=O ZINC000040631872 FD Annotated Mild CC(=O)O[C@@H]1CCn2c3c(c(COC(N)=O)c21)C(=O)C(N1CC1)=C(C)C3=O ZINC000040631874 FD Annotated Mild C/N=C(\NC#N)NCCCCOCn1nc(-c2ccccc2)ccc1=O ZINC000040632319 FD Annotated Mild C[C@@H]1CC/C(=N\Nc2cccc(C(=O)O)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639359 FD Annotated Mild C[C@H]1CC/C(=N\Nc2cccc(C(=O)O)c2)c2ncc(C(=O)O)c(=O)n21 ZINC000040639361 FD Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@@H]3OC(C)=O)C1=O ZINC000040639663 FD Annotated Mild COC1=C(C)C(=O)c2c(c(COC(N)=O)c3n2CC[C@H]3OC(C)=O)C1=O ZINC000040639665 FD Annotated Mild CC/N=C(\NC#N)NCCSCn1nc(-c2ccccc2)ccc1=O ZINC000040639821 FD Annotated Mild CNC(=O)c1ccc(N/N=C2\CC[C@@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000040640980 FD Annotated Mild CNC(=O)c1ccc(N/N=C2\CC[C@H](C)n3c2ncc(C(=O)O)c3=O)cc1 ZINC000040640983 FD Annotated Mild CC1(C)C=C(C(=O)NCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040641439 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)C(C)(C)N1 ZINC000040641442 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040641445 FD Annotated Anodyne CC1(C)C=C(C(=O)NCCNC(=O)[C@H]2CCCC[C@H]2C(=O)O)C(C)(C)N1 ZINC000040641448 FD Annotated Anodyne COCO[C@H]1C(=O)OC[C@@]12[C@]13CCC[C@]14O[C@@]2(C(C)(C)C)C[C@H]3OC4=O ZINC000040650996 FD Annotated Anodyne O[C@H]1[C@H](O)C=C[C@H](N(CCc2ccccc2)CCc2ccccc2)[C@H]1O ZINC000040747352 FD Annotated Anodyne Cc1nccn1-c1nc(N(C)Cc2ccccc2)nc2c1S(=O)(=O)CC2 ZINC000040762752 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c3c(c2)N(C)C[C@@H]2CCCN32)C(=O)O1 ZINC000040763071 FD Annotated Anodyne CC(C)(C)c1ccc2ncn(CC(=O)C[C@H]3NCCC[C@@H]3O)c(=O)c2c1 ZINC000040764047 FD Annotated Anodyne CS(=O)(=O)ON1C(=O)C[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000040786227 FD Annotated Mild C/N=C(\NC#N)NCCSCCn1nc(-c2ccccc2)ccc1=O ZINC000040791408 FD Annotated Mild C[C@@H]1CC/C(=N\Nc2ccccc2CCO)c2ncc(C(=O)O)c(=O)n21 ZINC000040802315 FD Annotated Mild C[C@H]1CC/C(=N\Nc2ccccc2CCO)c2ncc(C(=O)O)c(=O)n21 ZINC000040802320 FD Annotated Mild Cc1cn(CO[C@@H]2C[P@](=O)(Oc3ccccc3)O[C@@H]2C)c(=O)[nH]c1=O ZINC000040812589 FD Annotated Anodyne Cc1cn(CO[C@@H]2C[P@@](=O)(Oc3ccccc3)O[C@@H]2C)c(=O)[nH]c1=O ZINC000040812591 FD Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N+](C)(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000040822817 FD Annotated Bother Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)nnn1Nc1ccccc1 ZINC000040828290 FD Annotated Reactive CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)N(C)C)n2n1 ZINC000040828573 FD Annotated Anodyne COc1ccc([C@H](OC(C)=O)C(=O)O)cc1I ZINC000040828665 FD Annotated Anodyne COc1ccc([C@@H](OC(C)=O)C(=O)O)cc1I ZINC000040828667 FD Annotated Anodyne C=C[C@]1(CO)C[C@@H](O)[C@@H]2[C@H](CC[C@H]3[C@H]2CC[C@@H](O)[C@]3(C)C(=O)OC)O1 ZINC000040835219 FD Annotated Mild C[C@H]1CC[C@@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000040843530 FD Annotated Anodyne C[C@H]1CC[C@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000040843533 FD Annotated Anodyne C[C@@H]1CC[C@@H](C)C1OC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)c1ccco1 ZINC000040843535 FD Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1C(=O)N/N=C/c1ccco1)OCO2 ZINC000040845139 FD Annotated Reactive O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(Br)cc1 ZINC000040845430 FD Annotated Reactive CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 ZINC000040845854 FD Annotated Bother CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CCO2)C1 ZINC000040845856 FD Annotated Bother C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C=C1[C@@H]4OC(=O)CC[C@]4(C)[C@H](O)[C@]13O)OC2=O ZINC000040846137 FD Annotated Anodyne O=Cc1ccc(O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H](O)[C@H]2O)cc1 ZINC000040846755 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040847306 FD Annotated Anodyne COC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc(Cl)cc2)CN1S(C)(=O)=O ZINC000040847740 FD Annotated Anodyne C[C@@]1(O)c2ccoc2C[C@H]2[C@H]1[C@@H](O)[C@H](O)[C@H]1[C@@](C)(CO)CCC[C@]21C ZINC000040848011 FD Annotated Anodyne NC(=O)[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2F)C(=O)O1 ZINC000040848189 FD Annotated Anodyne CNC(=O)[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 ZINC000040848257 FD Annotated Anodyne CC1(C)[C@H]2CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)[C@@H]1C2 ZINC000040861313 FD Annotated Anodyne CC1(C)[C@@H]2CC=C(CO[P@@](=O)(O)OC[C@@H](COC=O)OC=O)[C@H]1C2 ZINC000040861315 FD Annotated Anodyne CN(C)CCNc1cc2c3c(cccc3c1)C(=O)N(CCN(C)C)C2=O ZINC000040861668 FD Annotated Anodyne C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)OC[C@]32CCC[C@@]3(C)COC(=O)[C@H]32)[C@@H]1O ZINC000040862781 FD Annotated Mild in-vitro biogenic C=C[C@]1(C)C[C@H](OC(=O)C(=C)CCO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000040863915 FD Annotated Mild CC(=O)O[C@H](/C=C\[C@H]1CC=CC(=O)O1)C[C@@H](OC(C)=O)[C@H](C)OC(C)=O ZINC000040863927 FD Annotated Anodyne O[C@](CNCC1CCNCC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040866729 FD Annotated Anodyne O[C@@](CNCC1CCNCC1)(Cn1cncn1)c1ccc(F)cc1F ZINC000040866731 FD Annotated Anodyne CCOC(=O)c1c2c(c3[nH]c4ccccc4c3c1O)C(=O)N(CO)C2=O ZINC000040866912 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]1(CCC[C@@]2(C)COC(=O)[C@H]21)COC3=O ZINC000040867281 FD Annotated Anodyne in-vitro biogenic C[C@H]1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1C[C@H]3O ZINC000040872908 FD Annotated Anodyne in-vitro biogenic C=C1C[C@H](OC(=O)/C=C(/C)CO)[C@H]2[C@@H](C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000040873376 FD Annotated Mild CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2cnnc12 ZINC000040873643 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](N)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040874702 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](N)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040874704 FD Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)COC ZINC000040876640 FD Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@@H]2N=C1)[C@H](O)[C@@H](O)COC ZINC000040876643 FD Annotated Anodyne CCO[C@@H](C1=C[C@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)COC ZINC000040876646 FD Annotated Anodyne CCO[C@@H](C1=C[C@@H]2C(C)=NN(c3ccccc3)[C@H]2N=C1)[C@H](O)[C@@H](O)COC ZINC000040876648 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC[C@@H]2O[C@@H]2[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000040876902 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC[C@@H]2O[C@H]2[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000040876905 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC[C@H]2O[C@@H]2[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000040876908 FD Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC[C@H]2O[C@H]2[C@H](O)[C@H](O)[C@@H](CCC)OC1=O ZINC000040876912 FD Annotated Anodyne CC(=O)Cn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccccc2)c1=O ZINC000040876936 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](O)[C@H]1C(=O)OC[C@H]1O ZINC000040877794 FD Annotated Mild in-vitro biogenic CC(=O)NC[C@H]1CN(c2ccc(N3CC(=O)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040878260 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@H](O)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040878264 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3C[C@@H](O)C4(CC4)C3)c(F)c2)C(=O)O1 ZINC000040878268 FD Annotated Anodyne CC(C)OCCCNc1cc(OCCN(C)C)nc(OCCCN)n1 ZINC000040879861 FD Annotated Anodyne O=C(OC[C@@H]1CCOC1)c1cc(CO)cc(C(=O)OC[C@@H]2CCOC2)c1 ZINC000040879946 FD Annotated Anodyne O=C(OC[C@H]1CCOC1)c1cc(CO)cc(C(=O)OC[C@@H]2CCOC2)c1 ZINC000040879950 FD Annotated Anodyne O=C(OC[C@H]1CCOC1)c1cc(CO)cc(C(=O)OC[C@H]2CCOC2)c1 ZINC000040879954 FD Annotated Anodyne CNC(=O)[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2F)C(=O)O1 ZINC000040891529 FD Annotated Anodyne CCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)c(F)cc2[nH]1 ZINC000040891862 FD Annotated Anodyne C=CC[C@]12CC(=O)[C@@H](O)[C@](OC)([C@@H](c3ccc4c(c3)OCO4)[C@@H]1C)[C@@H]2O ZINC000040893595 FD Annotated Mild Cc1cc(F)ccc1NCc1cc(C(=O)NCCO)cc(NCCO)n1 ZINC000040894119 FD Annotated Anodyne Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(N(CCO)CCO)n1 ZINC000040895723 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000040897177 FD Annotated Mild in-vitro biogenic COC(=O)c1ccc(-c2c(C#N)[n+]([O-])c3cc(OC)ccc3[n+]2[O-])cc1 ZINC000040897763 FD Annotated Mild COC(=O)[C@H]1[C@H](C(=O)OC)[C@H](C(=O)c2ccc(C)cc2)N2N=CC=C[C@@H]12 ZINC000040898164 FD Annotated Anodyne O=C1[C@@H]2C=C(I)[C@@H](C[C@@H]2OCCCCO)[C@]12CO2 ZINC000040900020 FD Annotated Anodyne NNC(=O)CO[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000040914184 FD Annotated Reactive NNC(=O)CO[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(Cl)cc1 ZINC000040914186 FD Annotated Reactive CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(C(=O)NCC)n2n1 ZINC000040914823 FD Annotated Anodyne C=CCNC(=S)N/N=C1\C(=O)N(C)c2ccc(OC(F)(F)F)cc21 ZINC000040917350 FD Annotated Mild CCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC ZINC000040917531 FD Annotated Mild CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2NC(=O)C2CCCC2)O1 ZINC000040917845 FD Annotated Anodyne Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1C[C@@H](C)O ZINC000040918151 FD Annotated Bother Cc1nc(CS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])n1C[C@H](C)O ZINC000040918152 FD Annotated Bother COc1cc(NC(=O)CCCCCNS(N)(=O)=O)c2ncccc2c1 ZINC000040918255 FD Annotated Anodyne NCCCOc1c(Br)cc([C@H](O)CN)cc1Br ZINC000040918848 FD Annotated Anodyne NCCCOc1c(Br)cc([C@@H](O)CN)cc1Br ZINC000040918849 FD Annotated Anodyne CS(=O)(=O)Nc1cc2c(cc1C(=O)N/N=C/c1cccs1)OCO2 ZINC000040919131 FD Annotated Reactive COCC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)NC(C)C)O2)nn1 ZINC000040933409 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)CC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000040933980 FD Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@@H](C(C)C)[C@H](OC(C)=O)C[C@]2(C=O)O[C@@H]2CC[C@@]2(C)O[C@@H]12 ZINC000040934001 FD Annotated Mild C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@H](O)O2 ZINC000040934216 FD Annotated Clean C/C=C/c1cc2c(c(=O)o1)-c1c(O)c(O)c(OC)c(C(=O)O)c1[C@@H](O)O2 ZINC000040934217 FD Annotated Clean Cc1cc(/C=C/C(=O)NC(N)=O)cc(NC(=O)[C@@H](C)Br)c1 ZINC000040936330 FD Annotated Reactive Cc1cc(/C=C/C(=O)NC(N)=O)cc(NC(=O)[C@H](C)Br)c1 ZINC000040936332 FD Annotated Reactive C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)/C=C1\CCOC1=O ZINC000040936421 FD Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1[C@@H](O)/C=C1\CCOC1=O ZINC000040936423 FD Annotated Mild CS(=O)(=O)Nc1cc2c(cc1C(=O)N/N=C/c1ccccc1)OCO2 ZINC000040936435 FD Annotated Reactive C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C[C@@H](O)[C@@H]1C(=O)OC[C@H]1O ZINC000040936573 FD Annotated Mild O=C1CC[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@@H]5O ZINC000040937147 FD Annotated Anodyne COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2C=CC=NN2[C@H]1C(=O)c1ccc(C)cc1 ZINC000040938631 FD Annotated Anodyne COC(=O)[C@H]1[C@@H](C(=O)OC)[C@@H]2C=CC=NN2[C@H]1C(=O)c1ccc(F)cc1 ZINC000040939510 FD Annotated Anodyne CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CO)o1 ZINC000040943116 FD Annotated Anodyne Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2nc(CO)cs2)c1 ZINC000040950440 FD Annotated Anodyne CO[C@@H]1[C@@H](O)c2coc(=O)c3c2[C@](C)(c2ccc4c(c2-3)CCC4=O)[C@@H]1O ZINC000040951190 FD Annotated Anodyne COC(=O)c1sccc1S(=O)(=O)N1CC(=O)Nc2ccc(F)cc21 ZINC000040952221 FD Annotated Anodyne COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000040952486 FD Annotated Anodyne O=C(OCCCCCO)c1cc(CO)cc(C(=O)OCCCCCO)c1 ZINC000040955083 FD Annotated Anodyne CN1CCC=C([C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 ZINC000040955718 FD Annotated Bother CN1CCC=C([C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CCO2)C1 ZINC000040955721 FD Annotated Bother Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4cnccn4)CC3)cc21 ZINC000040957079 FD Annotated Anodyne CN1CCC=C([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 ZINC000040957531 FD Annotated Bother CN1CCC=C([C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CCO2)C1 ZINC000040957534 FD Annotated Bother Nc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2ccccn2)CC1 ZINC000040957856 FD Annotated Anodyne Nc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2nccs2)CC1 ZINC000040957862 FD Annotated Anodyne CCOCCOCCOCCOCCN1CCC(C2CCNCC2)CC1 ZINC000040973086 FD Annotated Anodyne CCCCCc1ccc(C#Cc2nc(C(N)=O)nn2COCCO)cc1 ZINC000040973668 FD Annotated Mild N[C@@H](C(=O)NCCc1ccccc1Cl)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000040973692 FD Annotated Bother CCC1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@@H]3OC[C@H]2[C@H]1[C@H]3O ZINC000040974200 FD Annotated Anodyne CC(C)(O)Cn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21 ZINC000040974337 FD Annotated Anodyne Cc1cc(-c2ccc(C(=O)O)c(O)c2)oc1C=C1C(=O)NC(=S)NC1=O ZINC000040974462 FD Annotated Clean COC(=O)c1cc(NC(=O)[C@H](C)Br)cc(C(=O)NC(N)=O)c1 ZINC000040974692 FD Annotated Reactive COC(=O)c1cc(NC(=O)[C@@H](C)Br)cc(C(=O)NC(N)=O)c1 ZINC000040974694 FD Annotated Reactive O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(O)c2O)o1 ZINC000040974847 FD Annotated Clean C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N[C@@H]32)[C@@H]1O ZINC000040976179 FD Annotated Anodyne CC(C)(C)[C@H](NC(=O)n1c(=O)n(C[C@@H]2CCCO2)c2ccccc21)C(N)=O ZINC000040976403 FD Annotated Anodyne CC(C)(C)[C@H](NC(=O)n1c(=O)n(C[C@H]2CCCO2)c2ccccc21)C(N)=O ZINC000040976405 FD Annotated Anodyne CC(C)OCCCNc1nc(OCCCCN)cc(OCCN(C)C)n1 ZINC000040980354 FD Annotated Anodyne Cc1ccc([C@H]2CNN=C2S(=O)(=O)Cc2nnc(S)s2)cc1 ZINC000040980521 FD Annotated Anodyne O=C(Cc1c[nH]c2ccccc12)OC[C@H]1C[C@@H]2O[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 ZINC000042764387 FD Annotated Reactive COc1cc2c(c3c1c(=O)c1ccccc1n3C)C[C@H]([C@@](C)(O)CO)O2 ZINC000042878018 FD Annotated Bother CN(C)CCNc1c(N)cc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O ZINC000042891975 FD Annotated Anodyne N/C(=N\O)c1cccc(OCCCCCOc2cccc(/C(N)=N/O)n2)n1 ZINC000042921761 FD Annotated Mild COc1cc2oc(C)c(COS(=O)(=O)O)c2cc1OS(=O)(=O)O ZINC000042922009 FD Annotated Anodyne Cn1c(C(F)(F)F)cc(=O)n(-c2cc3c(ccc(=O)n3C)cc2F)c1=O ZINC000042965752 FD Annotated Anodyne COc1ccc(C[C@H]2/C(=N/CCO)CCN2C(=O)[C@@H](C)CS)cc1 ZINC000043011387 FD Annotated Mild COc1ccc(C[C@H]2/C(=N/CCO)CCN2C(=O)[C@H](C)CS)cc1 ZINC000043011390 FD Annotated Mild COc1ccc(C[C@@H]2/C(=N/CCO)CCN2C(=O)[C@@H](C)CS)cc1 ZINC000043011393 FD Annotated Mild COc1ccc(C[C@@H]2/C(=N/CCO)CCN2C(=O)[C@H](C)CS)cc1 ZINC000043011396 FD Annotated Mild C[C@]1(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)CCCCN1 ZINC000043013346 FD Annotated Anodyne C[C@@]1(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)CCCCN1 ZINC000043013348 FD Annotated Anodyne CC(=O)N1CCC[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 ZINC000043014733 FD Annotated Anodyne CC(=O)N1CCC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1 ZINC000043014736 FD Annotated Anodyne COCCS(=O)(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 ZINC000043016117 FD Annotated Anodyne O=C(C[C@H]1NCC[C@@H]1O)Cn1cnc2cccc(C(F)(F)F)c2c1=O ZINC000043017872 FD Annotated Anodyne N/C(=N\O)c1ccc(OCCCCCOc2ccc(/C(N)=N\O)cn2)nc1 ZINC000043019377 FD Annotated Mild COc1ccc(Cc2nc(C(=O)O)c(O)c(=O)[nH]2)cc1Br ZINC000043022979 FD Annotated Anodyne Cn1c(C(F)(F)F)cc(=O)n(-c2cc3[nH]c(=O)ccc3cc2F)c1=O ZINC000043025572 FD Annotated Anodyne CCCCC/C=C/C1=C(CO)C(=O)C[C@](O)(C/C=C(\C)C(=O)O)[C@H]1O ZINC000043061991 FD Annotated Mild Cc1cn(C[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)nn1 ZINC000043064905 FD Annotated Anodyne Nc1cc(OS(=O)(=O)c2ccccc2Cl)nc(SCCO)n1 ZINC000043066135 FD Annotated Anodyne Cc1cn(C[C@H]2CN(c3ccc(N4CCNCC4)c(F)c3)C(=O)O2)nn1 ZINC000043069096 FD Annotated Anodyne CC(C)N(CCO)C[C@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000043073720 FD Annotated Mild CC(C)N(CCO)C[C@@H](O)CO/N=C(\Cl)c1nc2ccccc2o1 ZINC000043073722 FD Annotated Mild Nc1nc(CCCNS(=O)(=O)c2ccc(Br)cc2)c[nH]1 ZINC000043079090 FD Annotated Anodyne O=C(c1cc2nc(O)c3ccccc3n2n1)N1CCN(CC2CC2)CC1 ZINC000043079266 FD Annotated Anodyne O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCNCC3)c21 ZINC000043079699 FD Annotated Anodyne O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1 ZINC000043105141 FD Annotated Anodyne COc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc12 ZINC000043119271 FD Annotated Anodyne COc1ccccc1-c1cccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc12 ZINC000043119276 FD Annotated Anodyne O=C(C[C@H]1NCC[C@@H]1O)Cn1cnc2ccc(C(F)(F)F)cc2c1=O ZINC000043120547 FD Annotated Anodyne Cn1c([C@@]2(C)CCCO2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000043153224 FD Annotated Anodyne Cn1c([C@]2(C)CCCO2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O ZINC000043153225 FD Annotated Anodyne O=C([C@@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCC2)CC1 ZINC000043202369 FD Annotated Anodyne O=C([C@H]1CC12CCN(C1CCOCC1)CC2)N1CCN(C2CCC2)CC1 ZINC000043202370 FD Annotated Anodyne C[C@@]1(O)CC(=O)c2c(cc(O)c3c2C(=O)c2ccc(O)c(O)c2C3=O)C1 ZINC000043207885 FD Annotated Clean CCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@@H]1[C@H](O)CO ZINC000043241980 FD Annotated Mild CCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@H]1[C@H](O)CO ZINC000043241984 FD Annotated Mild CCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO ZINC000043241988 FD Annotated Mild CCCCCCCCCCOC(=O)COC1=C(O)C(=O)O[C@H]1[C@@H](O)CO ZINC000043241992 FD Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000043465496 FD Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@@](C)(CC[C@@H](O)[C@]2(C)CO)[C@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000043465497 FD Annotated Mild in-vitro biogenic CC(C)[C@]12O[C@H]1[C@]13O[C@H]1C[C@H]1C4=C(CC[C@]1(C)[C@@]31O[C@H]1C2=O)C(=O)OC4 ZINC000043523565 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@]13O[C@H]1C[C@H]1C4=C(CC[C@]1(C)[C@@]31O[C@H]1[C@@H]2O)C(=O)OC4 ZINC000043523676 FD Annotated Anodyne C/C=C1/CN2[C@@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@@]4(C[C@@H]21)c1ccccc1N[C@@H]34 ZINC000043742847 FD Annotated Anodyne C/N=C(\N)N/N=C/c1c2ccccc2c(/C=N/N/C(N)=N/C)c2ccccc12 ZINC000043919967 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@]13O[C@H]1C[C@H]1C4=C(CC[C@]1(C)[C@@]31O[C@H]1[C@H]2O)C(=O)OC4 ZINC000044069476 FD Annotated Anodyne CS(=O)(=O)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000044138180 FD Annotated Reactive CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@H]2O ZINC000044306442 FD Annotated Anodyne CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 ZINC000044559692 FD Annotated Clean CS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3=COCCO3)o2)c1 ZINC000004517975 FD Annotated Anodyne CN(C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)C1CCCCC1 ZINC000004562732 FD Annotated Anodyne C[C@H]1C[C@H](C)CN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562775 FD Annotated Anodyne C[C@@H]1C[C@@H](C)CN(C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)C1 ZINC000004562776 FD Annotated Anodyne O=C(NC1CC1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 ZINC000004576203 FD Annotated Anodyne O=C(NC1CC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4Cl)C(=O)[C@@H]13)O2 ZINC000004576205 FD Annotated Anodyne C[C@]1(O)C[C@H](O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O ZINC000004654700 FD Annotated Clean in-vitro C[C@@]1(O)C[C@H](O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O ZINC000004654701 FD Annotated Clean in-vitro C[C@]1(O)C[C@@H](O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O ZINC000004654702 FD Annotated Clean in-vitro C[C@@]1(O)C[C@@H](O)Cc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O ZINC000004654703 FD Annotated Clean in-vitro COc1ccc(C2=NN(CCC(=O)NC[C@@H]3CCCO3)C(=O)CC2)cc1 ZINC000004668423 FD Annotated Anodyne COc1ccc(C2=NN(CCC(=O)NC[C@H]3CCCO3)C(=O)CC2)cc1 ZINC000004668426 FD Annotated Anodyne O=C1c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C(=O)N1C[C@@H]1CCCO1 ZINC000004686389 FD Annotated Anodyne O=C1c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C(=O)N1C[C@H]1CCCO1 ZINC000004686391 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NC(C)C)c(=O)c2c1 ZINC000004687636 FD Annotated Anodyne CC1(C)[C@@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@]12Nc1ccccc1C2=O)NC4=O ZINC000004773297 FD Annotated Anodyne in-man CC1(C)[C@H]2C[C@]34CCCN3C(=O)[C@@]2(C[C@]12Nc1ccccc1C2=O)NC4=O ZINC000004773298 FD Annotated Anodyne in-man COc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000004790530 FD Annotated Anodyne CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cccc2nsnc12 ZINC000004921778 FD Annotated Anodyne COC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000004924986 FD Annotated Anodyne COC(=O)[C@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000004924991 FD Annotated Anodyne COC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)NC(=O)N[C@@]1(O)C(F)(F)Cl ZINC000004924999 FD Annotated Anodyne CC(C)CN(CC(C)C)C(=O)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000004929871 FD Annotated Anodyne Cc1cccc(CN2CCN(CC(=O)N3CCC4(CC3)OCCO4)C2=O)c1 ZINC000004930785 FD Annotated Anodyne O=C([C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCc2ccccc21 ZINC000004931261 FD Annotated Anodyne O=C([C@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1)N1CCc2ccccc21 ZINC000004931263 FD Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000004931405 FD Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c[nH]cn2)C1 ZINC000004931409 FD Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c[nH]cn3)C2)[C@@H]1C ZINC000004931413 FD Annotated Anodyne O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 ZINC000004937881 FD Annotated Anodyne aggregator CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC(C)(C)CC)ccc21 ZINC000004958929 FD Annotated Anodyne C/C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000004963259 FD Annotated Bother in-vitro CCC(=O)N1CCc2cc(S(=O)(=O)NC[C@@H]3CCCN3CC)ccc21 ZINC000004969130 FD Annotated Anodyne CCC(=O)N1CCc2cc(S(=O)(=O)NC[C@H]3CCCN3CC)ccc21 ZINC000004969132 FD Annotated Anodyne CCCCN(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969222 FD Annotated Anodyne O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981322 FD Annotated Bother O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981324 FD Annotated Bother O=C(NC[C@H]1CCCO1)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981327 FD Annotated Bother O=C(NC[C@H]1CCCO1)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004981330 FD Annotated Bother CN1C(=O)c2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@H]21)OCO4 ZINC000004990427 FD Annotated Anodyne CN1C(=O)c2c(ccc3c2OCO3)[C@H]2[C@@H](O)Cc3cc4c(cc3[C@@H]21)OCO4 ZINC000004990428 FD Annotated Anodyne CN1CCN(C[C@H](O)CNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000045167020 FD Annotated Anodyne CN1CCN(C[C@@H](O)CNC(=O)Nc2ccc(Br)cc2)CC1 ZINC000045167022 FD Annotated Anodyne COc1cccc(OC)c1OCCCON1C(=N)N=C(N)NC1(C)C ZINC000045167204 FD Annotated Anodyne O=C(NCc1ccccc1)c1ccc(C(=O)NC[C@@H]2CNCCO2)cc1 ZINC000045186530 FD Annotated Anodyne O=C(NCc1ccccc1)c1ccc(C(=O)NC[C@H]2CNCCO2)cc1 ZINC000045186533 FD Annotated Anodyne NS(=O)(=O)c1cncc(-c2ccc3nccc(-c4cn[nH]c4)c3n2)c1 ZINC000045187988 FD Annotated Anodyne CS(=O)(=O)CCNCc1nc(-c2ccc3c(=O)[nH]cnc3c2)cs1 ZINC000045191425 FD Annotated Anodyne N[C@@H](Cc1cccc(I)c1)C(=O)NC[C@@H]1CCCO1 ZINC000045226887 FD Annotated Anodyne N[C@H](Cc1cccc(I)c1)C(=O)NC[C@@H]1CCCO1 ZINC000045226890 FD Annotated Anodyne N[C@@H](Cc1cccc(I)c1)C(=O)NC[C@H]1CCCO1 ZINC000045226894 FD Annotated Anodyne N[C@H](Cc1cccc(I)c1)C(=O)NC[C@H]1CCCO1 ZINC000045226897 FD Annotated Anodyne O=C(C(=O)N1CCN(C(=O)c2c[nH]cn2)CC1)c1c[nH]c2cccc(F)c12 ZINC000045244894 FD Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(F)cc3)n1)C2 ZINC000045245091 FD Annotated Bother COc1ccc(-c2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)on2)cn1 ZINC000045245336 FD Annotated Bother O=C(O)CCc1nc2c(C(=O)Nc3ccccc3)n3c(c2c(=O)[nH]1)CCC3 ZINC000045245511 FD Annotated Anodyne O=C(CN[C@@H]1C=C[C@H](c2ccccc2)[C@H](O)[C@H]1CO)NCc1ccccc1 ZINC000045253403 FD Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnc(-c3ccc(F)cc3)o1)C2 ZINC000045253452 FD Annotated Bother Oc1ccc(C2=NCCN2)cc1-c1cn(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045254433 FD Annotated Anodyne O=c1ccc(N2CCNCC2)nn1CCOc1ccccc1C(F)(F)F ZINC000045255504 FD Annotated Anodyne CCN(CC)C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3O)CO[C@H]12 ZINC000045255710 FD Annotated Anodyne Oc1ccc(C2=NCCN2)cc1-n1cc(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045256744 FD Annotated Anodyne CN1CCN(C(=S)SCSC(=S)N2CCN(C)CC2)CC1 ZINC000045256823 FD Annotated Anodyne Cn1c([N+](=O)[O-])cnc1-c1nnc(N/N=C\c2ccc(O)c(O)c2)s1 ZINC000045257716 FD Annotated Mild Cn1c(COc2cc(F)ccc2Cl)nc(N2CCNCC2)cc1=O ZINC000045259538 FD Annotated Anodyne c1cc(C2=NCCN2)cc(-c2cn(-c3cccc(C4=NCCN4)c3)nn2)c1 ZINC000045260001 FD Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-n1cc(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045260238 FD Annotated Anodyne Oc1ccc(C2=NCCN2)cc1-n1cc(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045260812 FD Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-n1cc(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045260854 FD Annotated Anodyne O=c1c2c(c(N3CCNCC3)nn1CCOc1ccccc1Cl)CCC2 ZINC000045261330 FD Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-c1cn(-c2cccc(C3=NCCN3)c2)nn1 ZINC000045283927 FD Annotated Anodyne Oc1ccc(C2=NCCN2)cc1-c1cn(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045284565 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2C2=C1N[C@@H](c1ccc(OC)c(O)c1)NC2=O ZINC000045285705 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2C2=C1N[C@@H](c1ccc(OC)c(O)c1)NC2=O ZINC000045285708 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2C2=C1N[C@H](c1ccc(OC)c(O)c1)NC2=O ZINC000045285709 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2C2=C1N[C@H](c1ccc(OC)c(O)c1)NC2=O ZINC000045285711 FD Annotated Anodyne O=C1CSC(=S)N1c1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000045286151 FD Annotated Clean COCCOCCOc1ccc(Cc2c(O)[nH]c(=S)[nH]c2=O)cc1 ZINC000045287929 FD Annotated Anodyne CCN(CC)CCN(C)[C@@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000045288888 FD Annotated Anodyne CCN(CC)CCN(C)[C@H]1CCc2c(c(C(=O)N3CCCC3)nn2C)C1 ZINC000045288891 FD Annotated Anodyne C=Cc1c(C)nn(CCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N ZINC000045289571 FD Annotated Anodyne Cn1c(COc2ccccc2C(F)(F)F)nc(N2CCNCC2)cc1=O ZINC000045291081 FD Annotated Anodyne Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nccs4)CC3)nc21 ZINC000045291330 FD Annotated Anodyne O=C1c2c(F)ccc(F)c2C(=O)c2c(NCCO)ccc(NCCO)c21 ZINC000045298487 FD Annotated Clean O=C(CN[C@H]1[C@H](CO)C=C[C@@H](c2ccccc2)[C@H]1O)NCc1ccccc1 ZINC000045298535 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2C2=C1N[C@@H](c1ccc(OC)cc1)NC2=O ZINC000045298969 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2C2=C1N[C@@H](c1ccc(OC)cc1)NC2=O ZINC000045298971 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2C2=C1N[C@H](c1ccc(OC)cc1)NC2=O ZINC000045298973 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2C2=C1N[C@H](c1ccc(OC)cc1)NC2=O ZINC000045298975 FD Annotated Anodyne Cn1c(COc2ccc(C(F)(F)F)cc2)nc(N2CCNCC2)cc1=O ZINC000045299382 FD Annotated Anodyne c1cc(C2=NCCN2)cc(-n2cc(-c3ccc(C4=NCCN4)cc3)nn2)c1 ZINC000045300634 FD Annotated Anodyne Cn1c(=O)c2nc(-c3ccc(Cl)cc3)nnc2n(CCCC#N)c1=O ZINC000045303227 FD Annotated Mild CCCCCc1ccc(C#Cc2nc(C(N)=O)n(COCCO)n2)cc1 ZINC000045303264 FD Annotated Mild CN(C)C(=O)CN(C)C(=O)c1cnc2scc(C(C)(C)C)n2c1=O ZINC000045303351 FD Annotated Anodyne CCC(=O)O[C@@H]1CO[C@@H]2[C@@H](OC(=O)c3ccccc3OC(C)=O)CO[C@H]12 ZINC000045318650 FD Annotated Anodyne Oc1cc(C2=NCCN2)ccc1-c1cn(-c2ccc(C3=NCCN3)cc2)nn1 ZINC000045325012 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc(-c4ccc(O)cc4)c3C2=O)C(=O)N1 ZINC000045337104 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3cccc(-c4ccc(O)cc4)c3C2=O)C(=O)N1 ZINC000045337106 FD Annotated Anodyne CSCCOC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)OCCSC ZINC000045337751 FD Annotated Mild CO[C@@H]1O[C@H](Cn2cc([C@@](C)(O)CC(C)C)nn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000045338394 FD Annotated Anodyne CO[C@@H]1O[C@H](Cn2cc([C@](C)(O)CC(C)C)nn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000045338396 FD Annotated Anodyne COC(=O)NCCc1n[nH]c2c1C(=O)C=C(Nc1ccc(C)cc1)C2=O ZINC000045338555 FD Annotated Mild CO[C@@H]1O[C@H](Cn2cc(CO[C@@H]3CCCCO3)nn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000045338731 FD Annotated Anodyne CO[C@@H]1O[C@H](Cn2cc(CO[C@H]3CCCCO3)nn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000045338733 FD Annotated Anodyne CCOC(=O)C(=C1NCCN1)c1c(Cl)c(F)c(C#N)c(F)c1C#N ZINC000045339005 FD Annotated Mild COC(=O)NCCc1n[nH]c2c1C(=O)C=C(Nc1ccc(OC)cc1)C2=O ZINC000045339429 FD Annotated Mild NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)c(F)c3)nc12 ZINC000045340124 FD Annotated Anodyne CN(C)CCNC(=O)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 ZINC000045347228 FD Annotated Anodyne O=C(O)[C@@H]1CCCN1C(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1 ZINC000045347474 FD Annotated Anodyne Nc1nc(NCCN2CCCC2)nc2c1[N+]([O-])=C(c1ccccc1)C2=O ZINC000045348159 FD Annotated Anodyne CN1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)C1 ZINC000045349671 FD Annotated Anodyne O=C(NO)OC[C@H]1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1 ZINC000045349728 FD Annotated Anodyne O=C(NO)OC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC000045350249 FD Annotated Anodyne NC(=O)c1cc(F)cc2cn(-c3ccc(NC(=O)C4CNC4)cc3)nc12 ZINC000045351171 FD Annotated Anodyne O=C(O)c1cn(Cc2ccc(-n3cccn3)nn2)c2c(F)cccc2c1=O ZINC000045357632 FD Annotated Anodyne OCCN1CCN(c2nc(-c3ccncc3)cnc2N2CCCC2)CC1 ZINC000045358737 FD Annotated Anodyne CN1CCN(c2ccc(N3Cc4cccc(C(N)=O)c4C3=O)cc2)CC1 ZINC000045365289 FD Annotated Anodyne CO[C@@H]1O[C@H](Cn2cc(C3(O)CCCCC3)nn2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000045365511 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3ccc(-c4ccc(O)cc4)cc3C2=O)C(=O)N1 ZINC000045365629 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)c3ccc(-c4ccc(O)cc4)cc3C2=O)C(=O)N1 ZINC000045365631 FD Annotated Anodyne O=S1(=O)NCN(CCF)c2ccc(I)cc21 ZINC000045369561 FD Annotated Anodyne CCN1CN(Cc2cccc(NC(=O)CCOC)c2)S(=O)(=O)N1CC ZINC000045370662 FD Annotated Anodyne CCOC(=O)c1noc(C)c1/C(C)=N/NS(=O)(=O)c1ccccc1 ZINC000045372289 FD Annotated Mild O=C1CC[C@@H](N2C(=O)c3cccc(C#Cc4ccccc4)c3C2=O)C(=O)N1 ZINC000045372824 FD Annotated Mild O=C1CC[C@H](N2C(=O)c3cccc(C#Cc4ccccc4)c3C2=O)C(=O)N1 ZINC000045372828 FD Annotated Mild COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(C)cc2)[C@@H](C)O)cc1 ZINC000045375221 FD Annotated Reactive COc1ccc(C(=O)N[C@H](C(=O)N/N=C/c2ccc(C)cc2)[C@H](C)O)cc1 ZINC000045375224 FD Annotated Reactive CC(=O)OC1=CC2=C3c4ccc(OC(C)=O)cc4OC[C@@]3(O)CC2=CC1=O ZINC000045384706 FD Annotated Mild CC(=O)OC1=CC2=C3c4ccc(OC(C)=O)cc4OC[C@]3(O)CC2=CC1=O ZINC000045384710 FD Annotated Mild Nc1nc(N2CCN(C(=O)c3cccnc3)CC2)c2cc(F)sc2n1 ZINC000045386142 FD Annotated Anodyne C#CCn1c(=O)c2[nH]c(Cc3cccs3)nc2n(Cc2ccco2)c1=O ZINC000045386439 FD Annotated Mild COC(=O)NCCc1n[nH]c2c1C(=O)C=C(N(C)c1ccccc1)C2=O ZINC000045388508 FD Annotated Mild CC(C)[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)O ZINC000045389585 FD Annotated Anodyne CCOC(=O)/C=C/n1nnc(-c2cccc(I)c2)n1 ZINC000045496933 FD Annotated Anodyne CCOC(=O)/C=C/n1nnnc1-c1cccc(I)c1 ZINC000045497813 FD Annotated Anodyne CCOC(=O)/C=C\n1nnnc1-c1cccc(I)c1 ZINC000045497855 FD Annotated Anodyne O=C(Nc1ccc(F)cc1)c1ccc(NCc2cccc(B(O)O)c2)nc1 ZINC000472918829 FD Annotated Reactive O=C(Nc1ccc(F)cc1)c1ccc(NCc2ccc(B(O)O)cc2)nc1 ZINC000472918835 FD Annotated Reactive O=C1CC(CO)=C2C(=O)N(Cc3ccc(F)c(Cl)c3)C(=O)C2=C1O ZINC000473081288 FD Annotated Mild C[C@]1(C(=O)O)CSC(c2ccc(OCCOCC(=O)O)cc2O)=N1 ZINC000473082669 FD Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@](C)(O)[C@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)[C@@H]1O)C2(C)C ZINC000473082881 FD Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@](C)(O)[C@H](O)[C@H]3[C@@H](O)[C@@H](C)C[C@]3(O)[C@H]1O)C2(C)C ZINC000473082885 FD Annotated Anodyne CC(C)CCNC(=O)c1[nH]c(-c2ccc(CN(C)C)cc2)nc(=O)c1O ZINC000473083479 FD Annotated Anodyne OCCN1CCN(c2nc(Nc3cccc(O)c3)c3ccccc3n2)CC1 ZINC000473085194 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2c2c(O)nc([C@@H](C)N3CCOCC3)nc21 ZINC000473088612 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2c2c(O)nc([C@H](C)N3CCOCC3)nc21 ZINC000473088613 FD Annotated Anodyne CCN1C(=S)N2CCC[C@H]2c2c(O)nc([C@H](C)N3CCOCC3)nc21 ZINC000473088615 FD Annotated Anodyne CCN1C(=S)N2CCC[C@@H]2c2c(O)nc([C@@H](C)N3CCOCC3)nc21 ZINC000473088617 FD Annotated Anodyne O=S(=O)(N[C@@H]1CCC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473089001 FD Annotated Anodyne O=C1NC(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000473090322 FD Annotated Clean COc1ccc2c(c1)N(OC)C(=O)[C@@]21C[C@@H]2NC=C(C=O)[C@@H]3C[C@H]1OC[C@H]23 ZINC000473107078 FD Annotated Reactive COCc1ccc2c(N3[C@H]4CC[C@H]3COC4)nc(-c3cnc(N)nc3)nn12 ZINC000473110343 FD Annotated Anodyne COC(=O)c1cccc(NC(=O)C2(N)CCN(c3ccncn3)CC2)c1 ZINC000473111392 FD Annotated Anodyne Nc1ccc(-c2nc3ccccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 ZINC000473111607 FD Annotated Anodyne O=C(O)CCCc1nc(SCC(=O)Nc2nc3ccccc3[nH]2)n[nH]1 ZINC000473113358 FD Annotated Anodyne COc1ccc(S(=O)(=O)ON2C(=O)C[C@@H]2CBr)cc1 ZINC000473114032 FD Annotated Reactive COc1ccc(S(=O)(=O)ON2C(=O)C[C@H]2CBr)cc1 ZINC000473114033 FD Annotated Reactive CN1CCN(C(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)CC1 ZINC000473114084 FD Annotated Clean COc1nc(N2C[C@@H]3C[C@H]2CO3)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473114710 FD Annotated Anodyne COc1nc(N2CC3(COC3)C2)nc(OC)c1NC(=O)CC(C)(C)C ZINC000473115266 FD Annotated Anodyne CN(/N=C/c1cnn2ccc(Cl)nc12)S(=O)(=O)c1cccnc1 ZINC000473115501 FD Annotated Mild O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000473115841 FD Annotated Reactive O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000473115844 FD Annotated Reactive O=C1c2cccnc2C(=O)c2c1c(C(=O)N1CCOCC1)c1ccccn21 ZINC000473119816 FD Annotated Clean COCC#Cc1cc(O[C@@H](C)COC)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000473120499 FD Annotated Mild COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O ZINC000473127094 FD Annotated Anodyne C[C@@]12CC[C@@H]3C(=C[C@H]4OC(=O)[C@]5(C)[C@H]4[C@]34CC[C@@]5(O)OC4)[C@@H]1OC[C@H]2O ZINC000473127300 FD Annotated Anodyne COc1cc2c(c3occc13)C[C@H]1OC(=O)[C@@]3(C)[C@@H](O)[C@@]4(O)C[C@@]2(CO4)[C@@H]13 ZINC000473127326 FD Annotated Anodyne COc1cc2c(c3occc13)C[C@H]1OC(=O)[C@@]3(C)[C@H](O)[C@@]4(O)C[C@@]2(CO4)[C@@H]13 ZINC000473127327 FD Annotated Anodyne COC[C@H](C)Oc1cc(C#CCN(C)C)cc(C(=O)Nc2ccn(C)n2)c1 ZINC000473128086 FD Annotated Mild C[C@@]12CC[C@@]3(O)OC(=O)C=C3[C@H]1CC[C@]13C[C@](O)(CO)[C@@](O)(CC[C@H]12)C3 ZINC000473128088 FD Annotated Anodyne CCOC(=O)c1ncc(O)c2c1C(=O)N(CCc1ccc(F)cc1)C2=O ZINC000473129533 FD Annotated Anodyne C[C@]12C(=O)O[C@@H]3C[C@@]4(O)c5occc5C(=O)C[C@H]4[C@]4(CC[C@@]1(O)OC4)[C@@H]32 ZINC000473130923 FD Annotated Anodyne COCCNc1ncc(-c2cc(C)no2)c(C2CCN(C(C)=O)CC2)n1 ZINC000473133715 FD Annotated Anodyne CN(C)C(=O)c1cccc(C(=O)NCCCN=c2[nH]c3ccccc3[nH]2)c1 ZINC000473134228 FD Annotated Anodyne Cn1ncc(NC(=O)c2ccccn2)c1N1CC[C@H](N)CC(F)(F)C1 ZINC000473134398 FD Annotated Anodyne O=C(O)CNC(=O)Cn1c2c(c3cc(Cl)ccc31)CC[C@@H](C(=O)O)C2 ZINC000473135151 FD Annotated Anodyne CC1=C(C(N)=O)[C@H](c2ncc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135284 FD Annotated Anodyne CC1=C(C(N)=O)[C@@H](c2ncc[nH]2)N2NC(SCc3ccccc3)=NC2=N1 ZINC000473135285 FD Annotated Anodyne N[C@H]1[C@@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@H]12 ZINC000473135656 FD Annotated Anodyne CO[C@@]1(c2ncc(Cl)cc2C)CCCN(C(=O)c2cn(C)nc2N)C1 ZINC000473136349 FD Annotated Anodyne CO[C@]1(c2ncc(Cl)cc2C)CCCN(C(=O)c2cn(C)nc2N)C1 ZINC000473136350 FD Annotated Anodyne COC(=O)[C@@H]1N2C(=O)[C@H](Cl)[C@H]2S[C@@]1(C)CSC1=NCCS1 ZINC000473145109 FD Annotated Reactive CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(=N)nc-2[nH]1 ZINC000473154268 FD Annotated Mild CCCc1cnc(N)c(C/N=C(/NC#N)Nc2ccc3nc(O)oc3c2)n1 ZINC000473155242 FD Annotated Mild COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2[C@@H]([C@H](C)O)[C@H]3O ZINC000473167072 FD Annotated Anodyne COC(=O)[C@]12C[C@@H]3CN(CCc4c1[nH]c1ccccc41)[C@H]2[C@@H]([C@H](C)O)[C@@H]3O ZINC000473167076 FD Annotated Anodyne COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(Cc1c2n(C=O)c2ccccc12)C3 ZINC000473168076 FD Annotated Anodyne COc1cnc(C(=O)Nc2cc([C@@]3(C)NC(=N)CO[C@@H]3F)ccn2)cn1 ZINC000473169163 FD Annotated Anodyne COC(=O)[C@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(CC[C@]21Nc2ccccc2C1=O)C3 ZINC000473170739 FD Annotated Anodyne COc1cnc(C(=O)Nc2ccnc([C@@]3(C)NC(=N)CO[C@@H]3F)c2)cn1 ZINC000473170832 FD Annotated Anodyne C[N@@+]12CCc3c([nH]c4ccccc34)[C@](CO)(C(=O)O)[C@@H](CC1)/C(=C\CO)C2 ZINC000473172880 FD Annotated Bother NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCO ZINC000473179063 FD Annotated Mild C[C@](CCc1ccc(-c2ccc(N)nc2)cc1)(C(=O)NO)S(C)(=O)=O ZINC000473214387 FD Annotated Bother C[C@H]1COc2c(CN3CCNCC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000473244420 FD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CCC1 ZINC000473247178 FD Annotated Anodyne O=S(=O)(N[C@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)CC1)C1CC1 ZINC000473247941 FD Annotated Anodyne O=S(=O)(N[C@@H]1CC[C@@H](c2nnc3cnc4[nH]ccc4n23)CC1)C1CC1 ZINC000473247942 FD Annotated Anodyne O=S(=O)(NC12CCC(c3nnc4cnc5[nH]ccc5n34)(CC1)C2)C1CC1 ZINC000473248634 FD Annotated Anodyne O=S(=O)(N[C@H]1CCC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1 ZINC000473248714 FD Annotated Anodyne Nc1ncc(-c2nc(N3CCOCC3)c3cccn3n2)c(C(F)(F)F)n1 ZINC000474605843 FD Annotated Anodyne CN(CCOCCN(C)c1ccc(C(N)N)cc1)c1ccc(C(N)N)cc1 ZINC000474609721 FD Annotated Clean O=c1nc(O)c(-c2cc(-c3ccccc3)on2)cn1[C@H]1C=C[C@@H](CO)O1 ZINC000474609729 FD Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(OCC(N)=O)c2)s1 ZINC000048528664 FD Annotated Mild C[C@@H]1Cc2cc3c(cc2C1)[n+](=O)nc(NCCCN1CCOCC1)n3O ZINC000048999743 FD Annotated Anodyne C[C@H]1Cc2cc3c(cc2C1)[n+](=O)nc(NCCCN1CCOCC1)n3O ZINC000048999745 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@@H](C(C)C)C(=O)O[C@@H]21 ZINC000049014747 FD Annotated Anodyne CN(C)CCCn1c(=O)c(C#N)nn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000049015691 FD Annotated Mild C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CNC[C@@H]2CCC(=O)O2)[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000049031834 FD Annotated Mild C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2CNC[C@H]2CCC(=O)O2)[C@H]2C(=C)[C@@H](O)C[C@@H]12 ZINC000049031837 FD Annotated Mild C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CC[C@@]4(C)CO[C@H]5OC[C@]23[C@H]54)[C@@H]1O ZINC000049032424 FD Annotated Mild in-vitro biogenic C[C@H]1CC[C@@](O)(C[C@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 ZINC000049033675 FD Annotated Anodyne C[C@H]1CC[C@@](O)(C[C@@H](O)CO)C(C)(C)[C@@]12Cc1cc(C(=O)O)ccc1O2 ZINC000049033677 FD Annotated Anodyne O=C1C[C@@H](O)[C@@H]2c3ccc(O)c4c3[C@@H](c3ccc(O)c1c32)[C@H](O)CC4=O ZINC000049034039 FD Annotated Anodyne CNC[C@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049034912 FD Annotated Anodyne COC(=O)c1nc(Sc2ccccc2F)n(COCCOC(C)=O)n1 ZINC000049035460 FD Annotated Anodyne COc1ccccc1Sc1nc(C(N)=O)nn1COCCOC(C)=O ZINC000049035635 FD Annotated Anodyne COc1cccc(Sc2nc(C(N)=O)nn2COCCOC(C)=O)c1 ZINC000049035637 FD Annotated Anodyne CCCC[C@H](CN(O)C=O)C(=O)N1CC=C[C@H]1C(=O)Nc1ccccn1 ZINC000049036339 FD Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccccc1F ZINC000049036463 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C(=O)N1 ZINC000049036738 FD Annotated Bother O=C1CC[C@H](N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)C(=O)N1 ZINC000049036740 FD Annotated Bother N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 ZINC000049036819 FD Annotated Anodyne COc1ccc(Sc2nc(C(N)=O)nn2COCCOC(C)=O)cc1 ZINC000049036823 FD Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccccc1C ZINC000049036927 FD Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1cccc(C)c1 ZINC000049036929 FD Annotated Anodyne COC(=O)c1nc(Sc2ccccc2)n(COCCOC(C)=O)n1 ZINC000049037089 FD Annotated Anodyne CS(=O)(=O)Nc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2 ZINC000049045809 FD Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1cccc(F)c1 ZINC000049046519 FD Annotated Anodyne COC(=O)c1nc(Sc2ccc(F)cc2)n(COCCOC(C)=O)n1 ZINC000049046539 FD Annotated Anodyne O=C1CC[C@@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C(=O)N1 ZINC000049052704 FD Annotated Anodyne O=C1CC[C@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C(=O)N1 ZINC000049052708 FD Annotated Anodyne NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000049052890 FD Annotated Bother NC(=O)CC[C@H](C(=O)O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000049052894 FD Annotated Bother CN(C)c1nc(NC(=O)Nc2ccccc2)n2nc(-c3ccco3)nc2n1 ZINC000049066417 FD Annotated Anodyne CC(=O)O[C@@H](O/C(C)=N/NC(=O)c1ccncc1)c1ccc([N+](=O)[O-])o1 ZINC000049067145 FD Annotated Reactive CC(=O)O[C@H](O/C(C)=N/NC(=O)c1ccncc1)c1ccc([N+](=O)[O-])o1 ZINC000049067147 FD Annotated Reactive O=C(NC(=S)Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCOCC1 ZINC000049070177 FD Annotated Bother COC(=O)C1(N)CCN(c2nc(N)nc3c2CCCC32CCCC2)CC1 ZINC000049070282 FD Annotated Anodyne CCn1nc(C(=O)N(C)C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049070740 FD Annotated Bother N#C/N=C(\NCCCN1CCN(C(=O)c2ccco2)CC1)c1ccncc1 ZINC000049071008 FD Annotated Mild CCOC(=O)c1nn(CC)c(=O)c2nn(-c3cccc(CO)c3)c(C)c12 ZINC000049071569 FD Annotated Anodyne CC(=O)N[C@@H](COCCN=[N+]=[N-])C(=O)NCc1ccc(N=C=S)cc1 ZINC000049072647 FD Annotated Reactive CC(=O)N[C@H](COCCN=[N+]=[N-])C(=O)NCc1ccc(N=C=S)cc1 ZINC000049073303 FD Annotated Reactive O=C(NCc1cn(Cc2ccccc2)nn1)[C@@H]1COC(c2ccccc2)=N1 ZINC000049073348 FD Annotated Anodyne O=C(NCc1cn(Cc2ccccc2)nn1)[C@H]1COC(c2ccccc2)=N1 ZINC000049073350 FD Annotated Anodyne Cc1ccc(-c2nn(CC(=O)N/N=C/NN)c(=O)c3ccccc23)cc1C ZINC000049089531 FD Annotated Reactive COCCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1ccccc1 ZINC000049089553 FD Annotated Anodyne CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN(C)CC1 ZINC000049089574 FD Annotated Anodyne CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(C)cc1 ZINC000049109562 FD Annotated Anodyne CCn1nc(C(=O)NC)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O ZINC000049113379 FD Annotated Bother N#Cc1ccc2c(c1)c([C@@H]1NS(=O)(=O)c3ccccc31)cn2CC(=O)O ZINC000049115962 FD Annotated Mild N#Cc1ccc2c(c1)c([C@H]1NS(=O)(=O)c3ccccc31)cn2CC(=O)O ZINC000049115967 FD Annotated Mild COC1=C(OC)[C@]23CCc4ccc(OC)c(O)c4[C@@]2(CC1=O)CC(=O)N3C ZINC000049116355 FD Annotated Mild in-vivo CCNC(=O)c1cc(S(N)(=O)=O)cnc1Sc1cccc(F)c1 ZINC000049125268 FD Annotated Anodyne NC(=O)C(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000049757090 FD Annotated Reactive C[C@@H]1CN([C@@H](Cc2ccccc2)C(=O)NC[C@H]2N=Cc3cncnc32)C1=O ZINC000049772028 FD Annotated Anodyne C[C@@H]1CN([C@H](Cc2ccccc2)C(=O)NC[C@H]2N=Cc3cncnc32)C1=O ZINC000049772030 FD Annotated Anodyne CCCCCCCCC#C[C@]1(O)C(C)(C)C(=O)N[C@@]1(CO)C(=O)OC ZINC000049780833 FD Annotated Mild N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N\O)nc3)s2)cn1 ZINC000049784037 FD Annotated Mild N/C(=N\O)c1ccc(-c2cnc(-c3ccc(/C(N)=N\O)cn3)s2)nc1 ZINC000049784049 FD Annotated Mild CC(=O)N1C(=O)[C@@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 ZINC000049785168 FD Annotated Bother CC(=O)N1C(=O)[C@](O)(Cc2nc3sccn3c2[N+](=O)[O-])c2ccccc21 ZINC000049785169 FD Annotated Bother CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(F)cc1 ZINC000049792616 FD Annotated Anodyne COC(=O)c1nc(Sc2cccc(F)c2)n(COCCOC(C)=O)n1 ZINC000049792714 FD Annotated Anodyne CC1=CC(=O)C2=C(COC(=O)CC(C)C)C[C@H](O)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 ZINC000049792940 FD Annotated Mild CC(=O)OCCOCn1nc(C(N)=O)nc1Sc1ccc(Cl)cc1 ZINC000049793879 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@]23CCN2C[C@@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000049802402 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@]23CC[N+]2([O-])C[C@H](C(C)=O)[C@H]1C[C@H]32 ZINC000049803109 FD Annotated Bother CCC[C@H](O)COC(=O)c1cc(CO)cc(C(=O)OC[C@H](O)CCC)c1 ZINC000049803482 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(CO)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000049803789 FD Annotated Mild in-vitro biogenic O[C@@](Cn1cncn1)(Cn1nnc2ncccc21)c1ccc(F)cc1F ZINC000049803911 FD Annotated Anodyne O[C@](Cn1cncn1)(Cn1nnc2ncccc21)c1ccc(F)cc1F ZINC000049803912 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@]23CCN2C[C@H](C(C)=O)[C@H]1C[C@@H]23 ZINC000049807582 FD Annotated Anodyne O[C@@](Cn1cncn1)(Cn1nnc2cccnc21)c1ccc(F)cc1F ZINC000049808312 FD Annotated Anodyne O[C@](Cn1cncn1)(Cn1nnc2cccnc21)c1ccc(F)cc1F ZINC000049808313 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(NC[C@@H]2CN(c3ccccc3)CCN2)cc1 ZINC000049925429 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(NC[C@H]2CN(c3ccccc3)CCN2)cc1 ZINC000049925430 FD Annotated Anodyne Cc1oc2nc3c(c(NC(=O)CN4CC(=O)NC4=O)c2c1C)CCCC3 ZINC000000586617 FD Annotated Anodyne CS(=O)(=O)CCn1c(Cn2nnc3ccccc32)nc2ccccc21 ZINC000000587827 FD Annotated Anodyne O=c1[nH]c2ccccc2n1Cc1nc2ccccc2n1CCn1cnnn1 ZINC000000594347 FD Annotated Anodyne CNC(=O)Nc1ccc2c(c1)[C@H](CC(=O)O)c1c-2[nH]c(=O)c2nccn12 ZINC000000602550 FD Annotated Anodyne COC1=CC(=O)c2c(c(COC(C)=O)c3n2CCC[C@@H]3OC(C)=O)C1=O ZINC000000605805 FD Annotated Mild COc1c2nc(CCl)[nH]c(=O)c2c(OC)c2nc(CCl)[nH]c(=O)c12 ZINC000000606872 FD Annotated Reactive O[C@H]1CO[C@@H](c2ccccc2)O[C@@H]1[C@@H]1O[C@@H](c2ccccc2)OC[C@@H]1O ZINC000000621871 FD Annotated Anodyne CS(=O)(=O)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000638548 FD Annotated Anodyne C[C@@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000000766737 FD Annotated Anodyne C[C@H](O)CN(C[C@H](C)O)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000000766738 FD Annotated Anodyne C[C@H](O)CN(C[C@@H](C)O)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000000766739 FD Annotated Anodyne C[C@H](O)CN(C[C@@H](C)O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000000766744 FD Annotated Anodyne C[C@@H](O)CN(C[C@@H](C)O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000000766745 FD Annotated Anodyne C[C@H](O)CN(C[C@H](C)O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 ZINC000000766746 FD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O ZINC000000766909 FD Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)C1 ZINC000000769666 FD Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)C1 ZINC000000769667 FD Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)C1 ZINC000000769668 FD Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)C1 ZINC000000769669 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000000770238 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@H]2CCCCNC2=O)cc1 ZINC000000770239 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000770240 FD Annotated Anodyne CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)N[C@@H]2CCCCNC2=O)cc1 ZINC000000770241 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N1CC[C@@H](NC(C)=O)C1 ZINC000000770866 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N1CC[C@H](NC(C)=O)C1 ZINC000000770868 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@H]1CCCCNC1=O ZINC000000771727 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@H]1CCCCNC1=O ZINC000000771728 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@]1(C)C(=O)N[C@@H]1CCCCNC1=O ZINC000000771729 FD Annotated Anodyne CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)N[C@@H]1CCCCNC1=O ZINC000000771730 FD Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC[C@H](O)CO)cc1 ZINC000000774475 FD Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC[C@@H](O)CO)cc1 ZINC000000774476 FD Annotated Anodyne O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1N1CCOCC1 ZINC000000785066 FD Annotated Anodyne COC(=O)c1cccn1-c1cc2[nH]c(=O)c(=O)[nH]c2cc1C(F)(F)F ZINC000000834724 FD Annotated Anodyne CN(C)CCNc1ccc2c3c(nn2CCN)-c2cnccc2C(=O)c13 ZINC000000835581 FD Annotated Clean CN1C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000000837296 FD Annotated Anodyne Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 ZINC000000842922 FD Annotated Anodyne CN1Cc2c(ccc3c2OCO3)CC(=O)c2cc3c(cc2C[C@H]1O)OCO3 ZINC000000895640 FD Annotated Anodyne in-vitro CN1Cc2c(ccc3c2OCO3)CC(=O)c2cc3c(cc2C[C@@H]1O)OCO3 ZINC000000895642 FD Annotated Anodyne in-vitro COC(=O)CSc1nnc(-c2ccc(NS(C)(=O)=O)cc2)n1C ZINC000000897036 FD Annotated Anodyne O=C1C[C@@H](O)[C@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@@]2(O)C=CC3=O ZINC000000899220 FD Annotated Mild CC(=O)O[C@H]1C[C@@H]2CCN3Cc4cc5c(cc4[C@@H]([C@H]23)[C@H]1OC(C)=O)OCO5 ZINC000000900831 FD Annotated Anodyne O=C(N/C(=C/c1ccco1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000972986 FD Annotated Bother NNC(=O)/C(=N\Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000983269 FD Annotated Reactive CC(=O)NC1=C(Br)C(=O)c2cccc(NC(C)=O)c2C1=O ZINC000000984399 FD Annotated Mild CCOC(=O)NC(=O)c1cn(Cc2ccc(Cl)cc2)c(=O)[nH]c1=O ZINC000000984625 FD Annotated Anodyne O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)cc1 ZINC000000990428 FD Annotated Anodyne COc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000000990620 FD Annotated Anodyne Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C ZINC000000990858 FD Annotated Anodyne Cc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 ZINC000000991756 FD Annotated Anodyne C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O ZINC000000991757 FD Annotated Anodyne CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc2nsnc12 ZINC000005012573 FD Annotated Anodyne C[C@@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 ZINC000005012746 FD Annotated Anodyne C[C@H]1CCCCN1C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12 ZINC000005012756 FD Annotated Anodyne C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)C1 ZINC000005012774 FD Annotated Anodyne C[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)C1 ZINC000005012783 FD Annotated Anodyne COc1ccccc1NC(=O)[C@H](C)OC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000005021351 FD Annotated Anodyne COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000005021352 FD Annotated Anodyne C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005026442 FD Annotated Anodyne C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C1 ZINC000005026444 FD Annotated Anodyne COc1ccccc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21 ZINC000005035630 FD Annotated Anodyne CN(CC(=O)NCc1ccco1)S(=O)(=O)c1cccc2cccnc12 ZINC000005067846 FD Annotated Anodyne CC[C@@H](C)NC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 ZINC000005084325 FD Annotated Anodyne CC[C@H](C)NC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 ZINC000005084328 FD Annotated Anodyne Cn1c(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc2sccc21 ZINC000005085822 FD Annotated Anodyne CCN(CC)CCCNC(=O)Cn1ncn2c(cc3sccc32)c1=O ZINC000005108244 FD Annotated Anodyne CCC1(O)C(=O)N(C2CCCCC2)S(=O)(=O)N(C2CCCCC2)C1=O ZINC000005127499 FD Annotated Anodyne COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000005128115 FD Annotated Reactive CCOCCc1c(O)nc(SCC(=O)N2CCCCCC2)[nH]c1=O ZINC000005129463 FD Annotated Anodyne Cc1c(C#N)c(O)nc(O)c1/C=N/c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000005130470 FD Annotated Mild C/C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 ZINC000005132685 FD Annotated Bother CN1/C(=C(\O)Nc2ccc(O)cn2)C(=O)c2sccc2S1(=O)=O ZINC000005140766 FD Annotated Mild in-man endogenous COC(=O)[C@@H]1C[C@]23C=CCN4CC[C@@]5(c6ccccc6N[C@@]15C[C@@H]2O)[C@@H]43 ZINC000005141054 FD Annotated Anodyne C[C@@H]1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1 ZINC000005147996 FD Annotated Anodyne C[C@H]1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1 ZINC000005148012 FD Annotated Anodyne Cc1cc(=O)n2nc(N3CCC(C(=O)NCc4ccco4)CC3)sc2n1 ZINC000005148908 FD Annotated Anodyne O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1 ZINC000005155469 FD Annotated Anodyne CN(CC(=O)N1CC=C(c2ccccc2)CC1)S(=O)(=O)c1c[nH]cn1 ZINC000005155484 FD Annotated Anodyne C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]21 ZINC000005158260 FD Annotated Mild biogenic C/C(=N/NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(O)c1 ZINC000005175536 FD Annotated Reactive C/C(=N/NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1cccc(O)c1 ZINC000005175538 FD Annotated Reactive C=C1CC[C@H]2[C@@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000005200042 FD Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000005211592 FD Annotated Mild in-vitro biogenic Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000005257546 FD Annotated Anodyne Cc1cc(Cl)ccc1OCC(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000005257547 FD Annotated Anodyne C=C(C)C(=O)O[C@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12 ZINC000005410014 FD Annotated Mild biogenic CCn1c(O)c(C(=O)NNC(=O)c2ccccc2)c(=O)c2ccccc21 ZINC000005432357 FD Annotated Reactive Cc1ccc(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 ZINC000005456834 FD Annotated Anodyne Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCNC2=O)c(C)n1C[C@@H]1CCCO1 ZINC000050635273 FD Annotated Reactive Cc1cc(/C=C(/C#N)C(=O)N[C@H]2CCCNC2=O)c(C)n1C[C@H]1CCCO1 ZINC000050635276 FD Annotated Reactive C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)[C@H](C)CO)C1 ZINC000523041414 FD Annotated Anodyne C=C[C@]1(C)C[C@H](OC(=O)/C(=C\C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO ZINC000523041460 FD Annotated Mild C=C[C@@]1(C)[C@H](C(=C)C)[C@@H]2OC(=O)C(=C)[C@]2(O)[C@@H](O)[C@@H]1OC(=O)/C(C)=C\C ZINC000523041610 FD Annotated Mild C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]2[C@@H](/C=C(/C)[C@@H]3C[C@H]13)OC(=O)[C@@H]2C ZINC000523041876 FD Annotated Mild C=C[C@]12C(=O)O[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@H]1C(=C)C(=O)O[C@@H]1[C@H]2C(=C)C=O ZINC000523041925 FD Annotated Reactive CC(=O)OCC1=C2C/C=C(\C)[C@@H](O)C[C@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000523041932 FD Annotated Anodyne C[C@H]1C[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@@]1(C)CO1 ZINC000523042019 FD Annotated Mild C=C[C@@]1(C)[C@H](C(=C)C)[C@@H]2OC(=O)C(=C)[C@]2(O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]1O ZINC000523042163 FD Annotated Mild C=C1CCC=C(C)[C@]2(O)[C@@H]1[C@@H]1OC(=O)[C@H](C)[C@@H]1[C@H]2OC(=O)[C@@]1(C)O[C@H]1C ZINC000523042203 FD Annotated Mild C[C@H]1CO[C@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996724 FD Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996725 FD Annotated Mild C[C@H]1CO[C@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996726 FD Annotated Mild C[C@H]1CO[C@@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32 ZINC000052996727 FD Annotated Mild C[C@@H]1CO[C@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996801 FD Annotated Mild C[C@@H]1CO[C@@H]2C(CN3CCCCC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32 ZINC000052996802 FD Annotated Mild C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]2[C@@H](/C=C(/C)[C@@H]3C[C@@H]13)OC(=O)[C@@H]2C ZINC000525914839 FD Annotated Mild C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]2[C@@H](/C=C(/C)[C@H]3C[C@H]13)OC(=O)[C@@H]2C ZINC000525914841 FD Annotated Mild C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]2[C@@H](/C=C(/C)[C@H]3C[C@@H]13)OC(=O)[C@@H]2C ZINC000525914842 FD Annotated Mild O=C1C=C[C@H](O)[C@H]([C@H](O)[C@H](OC(=O)/C=C/C(F)(F)F)c2ccccc2)O1 ZINC000053226496 FD Annotated Anodyne O=C1CSc2nnc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)n2N1 ZINC000053230244 FD Annotated Anodyne O=S(=O)(CC1=NCCS1)c1c[nH]cc1S(=O)(=O)c1ccccc1 ZINC000053243781 FD Annotated Anodyne CNC(=O)c1ccc(OC)c(O)c1-c1c(C(=O)NC)ccc(OC)c1O ZINC000053276435 FD Annotated Anodyne Cc1ccc(S(=O)(=O)c2c[nH]cc2S(=O)(=O)CC2=NCCO2)cc1 ZINC000053293680 FD Annotated Anodyne O=S(=O)(CC1=NCCO1)c1c[nH]cc1S(=O)(=O)c1ccccc1 ZINC000053297111 FD Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3 ZINC000053298312 FD Annotated Mild in-vitro biogenic O=C(Nc1n[nH]c2c1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccco1 ZINC000053312930 FD Annotated Anodyne CC(C)(C)c1nc(NCCc2c[nH]cn2)c2cc(C(N)=O)c(N)nc2n1 ZINC000053683798 FD Annotated Anodyne in-vivo O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000053723055 FD Annotated Reactive O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc2c(c1)OCCO2 ZINC000053723082 FD Annotated Reactive C=C[C@@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@H]1[C@@H]1COC(C)(C)O1 ZINC000005539019 FD Annotated Mild C=C[C@@H](c1ccccc1)[C@@]1(OC(C)=O)C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1 ZINC000005539023 FD Annotated Mild CNC(=O)OCC1=C(COC(=O)NC)[C@@H](C)N(c2ccc(OC)cc2)C1 ZINC000005550781 FD Annotated Clean CNC(=O)OCC1=C(COC(=O)NC)[C@H](C)N(c2ccc(OC)cc2)C1 ZINC000005551446 FD Annotated Clean C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@]1(C)[C@@H](OC(=O)/C(C)=C\C)C[C@@H]3O[C@]3(C)[C@H]21 ZINC000005566280 FD Annotated Mild C/C=C/C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 ZINC000005566314 FD Annotated Anodyne CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)[C@@H](O)[C@@]2(C)[C@]12CO2 ZINC000005574563 FD Annotated Anodyne CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000005576775 FD Annotated Mild CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000005576779 FD Annotated Mild CN(CC(=O)Nc1nnc[nH]1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000005577126 FD Annotated Anodyne O=C1C=C[C@]2(C[C@H](O)OC3=C2C(=O)c2oc4cc(O)c(O)cc4c2C3=O)O1 ZINC000005600617 FD Annotated Mild O=C1C=C[C@]2(C[C@@H](O)OC3=C2C(=O)c2oc4cc(O)c(O)cc4c2C3=O)O1 ZINC000005600718 FD Annotated Mild CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2 ZINC000005639618 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@H](O)C1=C(C(=O)C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O ZINC000005641344 FD Annotated Mild in-vitro biogenic COc1cc(OC)c(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1Cl ZINC000005701949 FD Annotated Anodyne COc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccco1)N=2 ZINC000005703692 FD Annotated Bother CO/N=C1/c2sccc2[C@H](NC(=O)CNC(=O)OC(C)(C)C)[C@@H]1O ZINC000005714140 FD Annotated Mild CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000005732880 FD Annotated Clean CO[C@@H]1O[C@@H]2COC(C)(C)O[C@@H]2C(=O)N1Nc1ccc([N+](=O)[O-])cc1 ZINC000005741862 FD Annotated Bother COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@]2(O)CCCC(=O)[C@@]12C ZINC000005757493 FD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@]2(O)CCCC(=O)[C@@]12C ZINC000005757494 FD Annotated Anodyne COC(=O)C1=C(C)N(NC(=O)c2ccccc2)[C@@]2(O)CCCC(=O)[C@]12C ZINC000005757522 FD Annotated Anodyne COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@](C)(O)CO)O2 ZINC000005758951 FD Annotated Bother COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@@](C)(O)CO)O2 ZINC000005758952 FD Annotated Bother COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@](C)(O)CO)O2 ZINC000005758953 FD Annotated Bother COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@H]([C@@](C)(O)CO)O2 ZINC000005758954 FD Annotated Bother C[N+](C)(CCCn1ccnc1[N+](=O)[O-])CCCn1ccnc1[N+](=O)[O-] ZINC000005762778 FD Annotated Bother C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)[C@@H](OC(=O)C=C(C)C)[C@H](O)[C@@H]12)C[C@H]1O[C@@]31C ZINC000005766646 FD Annotated Mild CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1 ZINC000005767478 FD Annotated Anodyne CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C ZINC000005767523 FD Annotated Anodyne in-man CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)C)[C@@]31CO1 ZINC000005767524 FD Annotated Anodyne in-man COc1cc2c(c3oc4c(O)cccc4c(=O)c13)C[C@@H]([C@]1(CO)CO1)O2 ZINC000005767590 FD Annotated Bother CCOC(=O)CN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000005767703 FD Annotated Bother CCCCNC(=S)Nc1nc(C(=O)NNC(=S)NCC)cs1 ZINC000005782085 FD Annotated Reactive O=C(Sc1nnc(O)[nH]c1=O)c1cccc2nc3ccccc3nc12 ZINC000005801231 FD Annotated Bother O=C(NCCCc1cn[nH]c(=O)n1)c1cccc2nc3ccccc3nc12 ZINC000005801233 FD Annotated Bother CCC[S@@](=O)O[C@@H]1[C@H]([C@@H]2COC(C)(C)O2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000005807439 FD Annotated Anodyne COC(=O)C[C@H]1C[C@H](C#N)N(C(=O)c2ccccc2)C[C@@H]1CC[N+](=O)[O-] ZINC000005808693 FD Annotated Mild COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@H]1C(=O)C=CC2=O ZINC000005810059 FD Annotated Mild COC(=O)CC[C@H](NC(=S)N/N=C(\C)c1cccs1)C(=O)OC ZINC000005811879 FD Annotated Mild COC(=O)CC[C@@H](NC(=S)N/N=C(\C)c1cccs1)C(=O)OC ZINC000005811880 FD Annotated Mild O=C1NC(=O)/C(=C/c2ccc(S(=O)(=O)N/N=C/c3ccccc3)cc2)N1 ZINC000005822986 FD Annotated Mild CCOC(=O)C1(C(=O)OCC)CC[C@H](C(OC)OC)[C@H](CC(=O)OC)C1 ZINC000005828543 FD Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC[C@H](C(OC)OC)[C@@H](CC(=O)OC)C1 ZINC000005828545 FD Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC[C@@H](C(OC)OC)[C@H](CC(=O)OC)C1 ZINC000005828546 FD Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CC[C@@H](C(OC)OC)[C@@H](CC(=O)OC)C1 ZINC000005828547 FD Annotated Anodyne C[C@@H]1CCC[C@]2(C)O[C@H]2CC[C@@](C)(O)[C@@H]2CC3=C(CO)C(=O)O[C@H]3[C@H]1O2 ZINC000005836969 FD Annotated Anodyne O=C1CC(=O)NC(NN2C(=O)CS[C@H]2c2ccc(Cl)c(Cl)c2)=N1 ZINC000005838635 FD Annotated Anodyne COc1cc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O ZINC000005838646 FD Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)ccc1O ZINC000005838649 FD Annotated Reactive CC(=O)O[C@H](C#N)CC(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C[C@@H](C#N)OC(C)=O ZINC000005840556 FD Annotated Mild CC(=O)O[C@@H](C#N)CC(C)(C)/[N+]([O-])=[N+](\[O-])C(C)(C)C[C@H](C#N)OC(C)=O ZINC000005840580 FD Annotated Mild COc1cc(COC(=O)N2CSC[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000005848178 FD Annotated Bother COc1cc(COC(=O)N2CC=C[C@H]2C(=O)O)c([N+](=O)[O-])cc1OC ZINC000005848205 FD Annotated Bother COc1ccc([C@@H]2CC(=O)NCCCNCCCCNCCCN2)cc1 ZINC000005850234 FD Annotated Anodyne CC(=N/NC(=S)N(C)C)/C(=N\NC(=S)N(C)C)c1ccccc1 ZINC000005850271 FD Annotated Mild CC(=O)NC[C@H]1CN(c2ccc(C3CCS(=O)CC3)c(F)c2)C(=O)O1 ZINC000005855855 FD Annotated Anodyne CC(=O)N[C@@H]1CN=C(SSC2=NC[C@H](NC(C)=O)S2)S1 ZINC000005856309 FD Annotated Reactive CC(=O)N[C@@H]1CN=C(SSC2=NC[C@@H](NC(C)=O)S2)S1 ZINC000005856312 FD Annotated Reactive CC(=O)N[C@H]1CN=C(SSC2=NC[C@H](NC(C)=O)S2)S1 ZINC000005856430 FD Annotated Reactive CN(C)/C=N/S(=O)(=O)c1nn2c(C=O)c(-c3ccccc3)nc2s1 ZINC000005887728 FD Annotated Mild CCOc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)ccc1OCC(N)=O ZINC000005906420 FD Annotated Mild CC(=O)CCC[C@H](C)[C@@H](O)[C@@H]1O[C@H]([C@@]2(C)CCC(=O)O2)C[C@H]1C(=O)O ZINC000005922182 FD Annotated Anodyne COC(=O)[C@@H]1C[C@H]2OC(=O)CC[C@]2(C)O[C@H]1[C@H]1O[C@@](C)(O)CCC[C@H]1C ZINC000005922360 FD Annotated Anodyne CCN1C(=O)CS/C1=N/NC(=O)[C@@](O)(c1ccccc1)[C@@H]1C=CC=CC1 ZINC000005941177 FD Annotated Reactive CCN1C(=O)CS/C1=N/NC(=O)[C@](O)(c1ccccc1)[C@@H]1C=CC=CC1 ZINC000005941178 FD Annotated Reactive CCNC(=S)N/N=C(/C)c1cccc(/C(C)=N\NC(=S)NCC)n1 ZINC000005957185 FD Annotated Mild CC(C)CN1C[C@](O)(CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C ZINC000005962665 FD Annotated Anodyne CC(C)CN1C[C@](O)(CNC(=O)OC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C ZINC000005962666 FD Annotated Anodyne CC(C)CN1C[C@@](O)(CNC(=O)OC(C)(C)C)C[C@@H]1C(=O)NC(C)(C)C ZINC000005962667 FD Annotated Anodyne CC(C)CN1C[C@@](O)(CNC(=O)OC(C)(C)C)C[C@H]1C(=O)NC(C)(C)C ZINC000005962668 FD Annotated Anodyne CC(C)O[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000005963093 FD Annotated Clean COC(=O)[C@@H](NC(=O)[C@@H]1O[C@@H]1COc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000005963155 FD Annotated Bother CC(C)c1c(Sc2cc(F)cc(F)c2)n(OCCCO)c(=O)[nH]c1=O ZINC000005963309 FD Annotated Anodyne CC(C)c1c(Sc2cccc(F)c2)n(OCCCO)c(=O)[nH]c1=O ZINC000005963310 FD Annotated Anodyne CC1=NN(c2nc(N)nc(-c3ccccc3S(N)(=O)=O)n2)C(C)(C)C1 ZINC000005964589 FD Annotated Anodyne CO[C@H]1[C@H](OC)C[C@]23c4cc5c(cc4CCCN2CC[C@]32O[C@H]12)OCO5 ZINC000005998198 FD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C(C2CC2)C2CC2)o1 ZINC000055131567 FD Annotated Anodyne Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N(C)C(C2CC2)C2CC2)o1 ZINC000055131572 FD Annotated Anodyne Cc1nonc1C(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055342432 FD Annotated Anodyne Cc1nonc1C(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055342433 FD Annotated Anodyne CC(=O)O[C@H]1C(=O)OC[C@@]12[C@]13CCC[C@]14O[C@@]2(C(C)(C)C)C[C@H]3OC4=O ZINC000056779451 FD Annotated Anodyne CC1(C)[C@H]2C(=COc3cc(O)ccc32)[C@]2(O)C(=O)C[C@]3(O)C[C@@H]1[C@H]2[C@H]3O ZINC000056871283 FD Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC[C@@H]4OC(=O)C[C@]4(C1)[C@H]23 ZINC000056871288 FD Annotated Anodyne in-vitro COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC(=O)C[C@@]([C@H](C)O)(C1)[C@H]23 ZINC000056871290 FD Annotated Anodyne in-vitro CC(C)C1=CC(=O)[C@@]2(C)C[C@]3(O)O[C@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@]24O ZINC000056874702 FD Annotated Mild in-vitro CC(C)[C@@H]1C[C@@H]2[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)C[C@H](O)[C@@H](C)[C@@H]42)[C@@]13C ZINC000056874718 FD Annotated Anodyne in-vitro O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000058492046 FD Annotated Bother O=C1CC[C@H]2[C@@H]3N1c1ccccc1[C@@]31CCN3C/C(=C/CO)[C@@H]2C[C@]31O ZINC000584879803 FD Annotated Anodyne CNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4C)c2n1 ZINC000584904689 FD Annotated Anodyne O=C(O)Cn1c(C(=O)NCP(=O)(O)O)cc2ccc3ccccc3c21 ZINC000584904794 FD Annotated Anodyne COc1ccccc1C(=O)OC[C@H]1CCCN1c1ccnc2ncnn12 ZINC000584904823 FD Annotated Anodyne Nc1nc(O)c2cc3[nH]c(=NCCc4ccc(CCO)cc4)[nH]c3cc2n1 ZINC000584904832 FD Annotated Anodyne CNc1nc2nc3c1nc(O)n3Cc1cccc(c1)OCCOCCO2 ZINC000584905146 FD Annotated Anodyne N=Cc1nc(N2CCOCC2)nc(N(Cc2cnccn2)C2CCCC2)n1 ZINC000584905387 FD Annotated Anodyne COC(=O)/C(CN)=C1\SCC(=O)N1c1ccc(Br)cc1 ZINC000584905449 FD Annotated Anodyne N[C@H](C=O)C[C@]1(ON2[C@H]3CCC[C@@H]2CC(=O)C3)c2ccccc2N[C@@H]1O ZINC000584905597 FD Annotated Mild CC(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCCCC2)n1 ZINC000058506378 FD Annotated Reactive C[C@@H]1CN(c2cc3c(cc2N)c(=O)c(C(=O)O)cn3C2CC2)CC[C@H]1O ZINC000058508342 FD Annotated Anodyne C[C@@H]1CCN(C)[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C ZINC000058509899 FD Annotated Anodyne C/C=C/C[C@@H]1CN[C@@H]2C(=O)NCCCCN(C)[C@H](C(C)C)C(=O)O[C@H]21 ZINC000058512200 FD Annotated Anodyne CO[C@@H]1C=C[C@]23c4cc5c(cc4C[N+](C)(C[C@@H]2OC(C)=O)[C@@H]3C1)OCO5 ZINC000058522946 FD Annotated Bother C=P(O)(O)[C@@H](Nc1c(F)c(F)c(F)c(F)c1F)P(=O)(O)O ZINC000058538491 FD Annotated Unstable O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@]12CO2 ZINC000058538602 FD Annotated Anodyne Nc1ncnc2c(CN3C[C@@H](O)[C@H](CSCc4ccccc4)C3)n[nH]c12 ZINC000058546868 FD Annotated Anodyne C=C1C[C@H](C[C@](C)(O)[C@H]2COc3ccc4ccc(=O)oc4c3O2)OC1=O ZINC000058547203 FD Annotated Anodyne COc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3C[C@H](OC(C)=O)[C@@H](C2)N3C)cc1 ZINC000058550568 FD Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)Cc2ccccc2)S(=O)(=O)N1C ZINC000058575458 FD Annotated Anodyne CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 ZINC000058581026 FD Annotated Anodyne CC(C)C[C@H]1C(=O)N(COC(=O)CCc2ccccc2)S(=O)(=O)N1C ZINC000058583241 FD Annotated Anodyne CNCC[C@H](c1ccc(Cl)c(Cl)c1)n1nnc(-n2nccn2)n1 ZINC000058591152 FD Annotated Anodyne COc1ccc(-n2nc(C)n(CCS(=O)(=O)c3ccccc3)c2=O)cc1 ZINC000058594491 FD Annotated Anodyne N[C@@H](CCCC/N=C1/CSC[C@@H](CCC(=O)O)[C@H]1CC(=O)O)C(=O)O ZINC000058626959 FD Annotated Mild C=C1CS[C@H]([C@H](NC(=O)Cc2cccs2)C(=O)O)N=C1C(=O)O ZINC000058632653 FD Annotated Mild CNc1nc2cc3c(=O)[nH]c(N)nc3c(CCNCC3CCCC3)c2[nH]1 ZINC000058638975 FD Annotated Anodyne CN(C)c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 ZINC000058669071 FD Annotated Anodyne CCCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586885136 FD Annotated Anodyne CCCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586885138 FD Annotated Anodyne CCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586885139 FD Annotated Anodyne CCCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586885140 FD Annotated Anodyne CCCCOc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886615 FD Annotated Anodyne CCCCOc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886616 FD Annotated Anodyne CCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886617 FD Annotated Anodyne CCCCOc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586886618 FD Annotated Anodyne O=C(O)C[C@@H](O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586887091 FD Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586887092 FD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](O)CC(=O)O)nc2c1 ZINC000586887535 FD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](O)CC(=O)O)nc2c1 ZINC000586887549 FD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586888269 FD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586888281 FD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586888285 FD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586888286 FD Annotated Anodyne CC(C)Oc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586888362 FD Annotated Anodyne CC(C)Oc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586888366 FD Annotated Anodyne CC(C)Oc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586888367 FD Annotated Anodyne CC(C)Oc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586888368 FD Annotated Anodyne O=C(O)C[C@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888503 FD Annotated Clean O=C(O)C[C@@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586888504 FD Annotated Clean OC[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586888531 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586888541 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586888542 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586888543 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586889159 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586889169 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586889172 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586889175 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889656 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889658 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889659 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586889660 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586889899 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586889900 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586889901 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586889903 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586889931 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586889933 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586890117 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586890121 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)CO)[nH]c3c2)cc1 ZINC000586890248 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@@H](O)CO)[nH]c3c2)cc1 ZINC000586890249 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@H](O)CO)[nH]c3c2)cc1 ZINC000586890251 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@@H](O)CO)[nH]c3c2)cc1 ZINC000586890254 FD Annotated Anodyne CC(C)[C@](C)(O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586890528 FD Annotated Anodyne CC(C)[C@@](C)(O)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000586890539 FD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586891298 FD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586891300 FD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586891302 FD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586891304 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586891343 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586891346 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586891347 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586891349 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586891364 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586891365 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586891366 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586891367 FD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586891909 FD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586891910 FD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586891911 FD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586891912 FD Annotated Anodyne CCCCOc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892506 FD Annotated Anodyne CCCCOc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892528 FD Annotated Anodyne CCCCOc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586892529 FD Annotated Anodyne CCCCOc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586892530 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892690 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892691 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892692 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586892694 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586893115 FD Annotated Anodyne OC[C@H](O)[C@@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586893117 FD Annotated Anodyne OC[C@@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586893119 FD Annotated Anodyne OC[C@H](O)[C@H](O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586893121 FD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](O)CC(=O)O)nc2c1 ZINC000586893624 FD Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](O)CC(=O)O)nc2c1 ZINC000586893626 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893941 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893942 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893943 FD Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c3c2)cc1 ZINC000586893944 FD Annotated Anodyne CC(C)COc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586893969 FD Annotated Anodyne CC(C)COc1cc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586893970 FD Annotated Anodyne CC(C)COc1cc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c2cc1Br ZINC000586893971 FD Annotated Anodyne CC(C)COc1cc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c2cc1Br ZINC000586893972 FD Annotated Anodyne O=C(O)[C@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586894142 FD Annotated Anodyne O=C(O)[C@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586894143 FD Annotated Anodyne O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586894144 FD Annotated Anodyne O=C(O)[C@@H](O)[C@H](O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586894145 FD Annotated Anodyne CC(C)COc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586894210 FD Annotated Anodyne CC(C)COc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586894211 FD Annotated Anodyne CC(C)COc1cc2nc([C@H](O)[C@@H](O)CO)[nH]c2cc1Br ZINC000586894212 FD Annotated Anodyne CC(C)COc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cc1Br ZINC000586894213 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](O)C(C)(C)CO)[nH]c2c1 ZINC000586900323 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](O)C(C)(C)CO)[nH]c2c1 ZINC000586901548 FD Annotated Anodyne CC(C)(CO)[C@@H](O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586902125 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c12 ZINC000586907749 FD Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586909817 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586909818 FD Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1)C(F)(F)F ZINC000586909920 FD Annotated Anodyne O=S(=O)(c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1)C(F)(F)F ZINC000586909925 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 ZINC000586910296 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 ZINC000586910301 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 ZINC000586912622 FD Annotated Anodyne NNC(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913694 FD Annotated Reactive O=S(=O)(c1ccc2nc(C3(O)CCOCC3)[nH]c2c1)C(F)(F)F ZINC000586913866 FD Annotated Anodyne O=C(c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586914792 FD Annotated Anodyne O=S(=O)(c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1)N1CCOCC1 ZINC000586916124 FD Annotated Anodyne C[C@H]1CCO[C@H](c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)C1 ZINC000586917037 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586919766 FD Annotated Clean N=c1[nH]c2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 ZINC000586919873 FD Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586919923 FD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586919961 FD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586920052 FD Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586920228 FD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586920272 FD Annotated Mild COc1ccc(S(=O)(=O)Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586920319 FD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586920430 FD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586920436 FD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586920470 FD Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586920529 FD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586920789 FD Annotated Bother COC(=O)c1cc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2cn1 ZINC000586920836 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586920952 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586920984 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000586921049 FD Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586921061 FD Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586921121 FD Annotated Mild COC(=O)c1ccnc2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc12 ZINC000586921127 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586921208 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000586921256 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)nc2[nH]1 ZINC000586921359 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586921438 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2ccnc(Br)c2[nH]1 ZINC000586921457 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586921474 FD Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586921561 FD Annotated Anodyne O=S(=O)(CCc1nc2c(O)nc(O)nc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586921583 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586921678 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cncc(Br)c2[nH]1 ZINC000586921683 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2c(Br)ccnc2[nH]1 ZINC000586921730 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586921783 FD Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586921792 FD Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000586921805 FD Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586921814 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)ncc2[nH]1 ZINC000586921934 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586922048 FD Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)c1 ZINC000586922063 FD Annotated Reactive Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cnc2[nH]1 ZINC000586922147 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586922351 FD Annotated Anodyne CCS(=O)(=O)c1cccc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)c1 ZINC000586922551 FD Annotated Mild N[C@@H](CP(=O)(O)O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586922950 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(I)cc2[nH]1 ZINC000586922957 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586922972 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586923204 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586923276 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2cccc(I)c2[nH]1 ZINC000586923329 FD Annotated Anodyne N[C@@H](CP(=O)(O)O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586923365 FD Annotated Bother Cn1nccc1CS(=O)(=O)Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586923473 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586923482 FD Annotated Anodyne CCOC(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923497 FD Annotated Anodyne COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1OC ZINC000586923720 FD Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cncnc4[nH]3)c2)o1 ZINC000586923729 FD Annotated Anodyne CN(C)C(=O)c1ccc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2c1 ZINC000586923736 FD Annotated Anodyne COc1cc(OC)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 ZINC000586923762 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586923825 FD Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ncc[nH]c-4n3)c2)o1 ZINC000586923867 FD Annotated Anodyne Cn1nccc1CS(=O)(=O)Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586923868 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924186 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 ZINC000586924187 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 ZINC000586924239 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 ZINC000586924245 FD Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586924284 FD Annotated Unstable COc1cc(Cc2nc3cncnc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924343 FD Annotated Unstable CS(=O)(=O)c1cc(-c2nc3ncc[nH]c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586924568 FD Annotated Bother CS(=O)(=O)c1cc(-c2nc3cnncc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586924586 FD Annotated Bother CS(=O)(=O)c1cc(-c2nc3c[nH]c(=N)[nH]c-3n2)cc([N+](=O)[O-])c1Cl ZINC000586925150 FD Annotated Bother O=S(=O)(/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1 ZINC000586925166 FD Annotated Anodyne O=S(=O)(/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccccc1 ZINC000586925167 FD Annotated Anodyne COc1cc(Cc2nc3cnncc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925200 FD Annotated Unstable COc1cc(Cc2nc3ncc[nH]c-3n2)cc(S(=O)(=O)Cl)c1OC ZINC000586925303 FD Annotated Unstable CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/S(C)(=O)=O)[nH]c2c1 ZINC000586925879 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\S(C)(=O)=O)[nH]c2c1 ZINC000586925886 FD Annotated Anodyne CS(=O)(=O)c1cc(-c2nc3cncnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926271 FD Annotated Bother CS(=O)(=O)c1cc(-c2nc3c(O)ncnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926335 FD Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(/C=C\S(C)(=O)=O)[nH]c2c1 ZINC000586926353 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/S(C)(=O)=O)[nH]c2c1 ZINC000586926365 FD Annotated Anodyne Nc1nc(O)c2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2n1 ZINC000586926594 FD Annotated Unstable CCc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926645 FD Annotated Unstable CCc1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1S(=O)(=O)Cl ZINC000586926744 FD Annotated Unstable CS(=O)(=O)c1cc(-c2nc3c(N)ncnc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926870 FD Annotated Bother CS(=O)(=O)c1cc(-c2nc3cnnc(O)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926950 FD Annotated Bother Nc1nc(O)c2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2n1 ZINC000586927151 FD Annotated Unstable Cc1cc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)ccc1S(=O)(=O)Cl ZINC000586928107 FD Annotated Unstable CN(Cc1nc2c(O)ncnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928410 FD Annotated Anodyne CN(Cc1nc2cc(N)ncc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928470 FD Annotated Anodyne CN(Cc1nc2nc(Cl)c[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928518 FD Annotated Mild CN(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928521 FD Annotated Anodyne CN(Cc1nc2c(O)nc(O)nc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928535 FD Annotated Anodyne CN(Cc1nc2cnc(Cl)[nH]c-2n1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928585 FD Annotated Mild CN(Cc1nc2ccc(CO)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928603 FD Annotated Mild CN(Cc1nc2c(F)cnc(Cl)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928626 FD Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1F ZINC000586928635 FD Annotated Anodyne COc1cncc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586928672 FD Annotated Mild CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928720 FD Annotated Mild CN(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)S(=O)(=O)c1cccnc1 ZINC000586928721 FD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCO3)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928727 FD Annotated Mild CN(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928754 FD Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928799 FD Annotated Mild CN(Cc1nc2cccc(C(=O)O)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586928802 FD Annotated Mild CN(Cc1nc2c(S)nc(S)nc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928864 FD Annotated Anodyne CN(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928894 FD Annotated Anodyne CN(Cc1nc2cnnc(O)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928898 FD Annotated Anodyne CN(Cc1nc2c[nH]c(=N)[nH]c-2n1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928912 FD Annotated Anodyne CCOC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586928920 FD Annotated Anodyne CN(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586928941 FD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)S(=O)(=O)c1cccnc1 ZINC000586928976 FD Annotated Anodyne CN(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929032 FD Annotated Anodyne CN(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929033 FD Annotated Anodyne CN(C)C(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586929040 FD Annotated Anodyne COc1cc(OC)c2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2c1 ZINC000586929042 FD Annotated Anodyne CN(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929043 FD Annotated Mild NS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586929057 FD Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000586929061 FD Annotated Anodyne N[C@H](N=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 ZINC000586929064 FD Annotated Anodyne CN(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)S(=O)(=O)c1cccnc1 ZINC000586929086 FD Annotated Anodyne COC(=O)c1ccc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2c1 ZINC000586929114 FD Annotated Anodyne CN(Cc1nc2ccc(C(=N)N)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929144 FD Annotated Mild Cc1cc2[nH]c(CN(C)S(=O)(=O)c3cccnc3)nc2cc1[N+](=O)[O-] ZINC000586929165 FD Annotated Bother CN(Cc1nc2ccc(CCO)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929170 FD Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(O)c(Br)ccc3[nH]2)c1 ZINC000586929179 FD Annotated Anodyne CN(Cc1nc2c(N)ncnc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929188 FD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCCCO3)S(=O)(=O)c1cccnc1 ZINC000586929233 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cnc(Cl)[nH]c-2n1 ZINC000586929250 FD Annotated Anodyne COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1 ZINC000586929267 FD Annotated Mild CN(Cc1nc2c(Cl)ncnc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929321 FD Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(CCO)cc2[nH]1 ZINC000586929410 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2c(Cl)ncnc2[nH]1 ZINC000586929420 FD Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586929422 FD Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1OC ZINC000586929495 FD Annotated Anodyne CN(Cc1nc2cc3c(cc2[nH]1)OCCO3)S(=O)(=O)c1cccnc1 ZINC000586929497 FD Annotated Anodyne CN(Cc1nc2ccnc(N)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929539 FD Annotated Anodyne CN(Cc1nc2cc(N)c(N)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929561 FD Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929625 FD Annotated Bother COc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cn1 ZINC000586929666 FD Annotated Mild COc1nccc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c12 ZINC000586929671 FD Annotated Mild Cc1c(Br)cnc2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c12 ZINC000586929687 FD Annotated Anodyne CN(Cc1nc2ccc(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929736 FD Annotated Mild COC(=O)c1cc(Cl)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 ZINC000586929768 FD Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 ZINC000586929959 FD Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586930017 FD Annotated Anodyne COC(=O)c1cc2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2cc1OC ZINC000586930029 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586930101 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586930103 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586930118 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586930252 FD Annotated Mild Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586930264 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586930285 FD Annotated Bother Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C(=O)O)c2[nH]1 ZINC000586930301 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000586930361 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)o1 ZINC000586930378 FD Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2c1OC ZINC000586930379 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)o1 ZINC000586930402 FD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)c1 ZINC000586930432 FD Annotated Anodyne COC(=O)c1ccnc2nc(-c3ccc(S(=O)(=O)N(C)C)o3)[nH]c12 ZINC000586930446 FD Annotated Anodyne NS(=O)(=O)c1c[nH]c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000586930448 FD Annotated Bother CCN(CC)S(=O)(=O)c1cccc(-c2nc3c(O)nc(O)nc3[nH]2)c1 ZINC000586930526 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2nc(Cl)c[nH]c-2n1 ZINC000586930600 FD Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586930629 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586930654 FD Annotated Bother CN(C)S(=O)(=O)CCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586930679 FD Annotated Anodyne Cc1nc2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2cc1Br ZINC000586930691 FD Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cc(S(N)(=O)=O)c[nH]3)[nH]c2c1 ZINC000586930742 FD Annotated Mild NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)ncc(F)c3[nH]2)c1 ZINC000586930744 FD Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2cn1 ZINC000586930788 FD Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2n1 ZINC000586930791 FD Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000586930952 FD Annotated Anodyne NS(=O)(=O)Cc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586930967 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)o1 ZINC000586931107 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000586931137 FD Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)o1 ZINC000586931211 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)o1 ZINC000586931212 FD Annotated Mild CN(C)S(=O)(=O)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)o1 ZINC000586931258 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)o1 ZINC000586931381 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586931403 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586931411 FD Annotated Anodyne COc1cncc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586931465 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586931476 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)o1 ZINC000586931540 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)o1 ZINC000586931644 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000586931660 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586931672 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cnc3[nH]2)cc1 ZINC000586931674 FD Annotated Anodyne COc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cn1 ZINC000586931681 FD Annotated Anodyne COc1nccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c12 ZINC000586931834 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586931845 FD Annotated Anodyne COc1ccc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2n1 ZINC000586931867 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000586931895 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000586931913 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586932081 FD Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586932111 FD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586932112 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586932167 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586932171 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000586932244 FD Annotated Anodyne CN(C)S(=O)(=O)CCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000586932248 FD Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2c(O)nc(S)nc2[nH]1)C(C)C ZINC000586932887 FD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2c(O)nc(S)nc2[nH]1)C(C)C ZINC000586932888 FD Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C ZINC000586933167 FD Annotated Reactive CCCCS(=O)(=O)N[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C ZINC000586933170 FD Annotated Reactive CCCCS(=O)(=O)N[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586933840 FD Annotated Mild CCCCS(=O)(=O)N[C@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586933842 FD Annotated Mild Cc1ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1C ZINC000586934901 FD Annotated Anodyne COC(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2n1 ZINC000586934918 FD Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586934981 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c1 ZINC000586934995 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c1 ZINC000586934998 FD Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cn1 ZINC000586935041 FD Annotated Anodyne Cc1c(F)ccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586935093 FD Annotated Anodyne COc1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586935160 FD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 ZINC000586935391 FD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 ZINC000586935399 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1 ZINC000586935434 FD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 ZINC000586935472 FD Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc12 ZINC000586935674 FD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 ZINC000586935768 FD Annotated Anodyne Cc1cc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c(C)n1 ZINC000586935982 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586936022 FD Annotated Anodyne NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 ZINC000586936087 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(C#N)c(C#N)cc3[nH]2)c1 ZINC000586936126 FD Annotated Mild NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 ZINC000586936183 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586936244 FD Annotated Anodyne COC(=O)c1ccnc2nc(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)[nH]c12 ZINC000586936505 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)c1 ZINC000586936687 FD Annotated Bother CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cncc3[nH]2)c1 ZINC000586936706 FD Annotated Bother NC(=O)CNS(=O)(=O)c1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 ZINC000586936708 FD Annotated Anodyne C=CCc1cccc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12 ZINC000586936780 FD Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586936808 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586936815 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586936817 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586936818 FD Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586936848 FD Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc12 ZINC000586936853 FD Annotated Anodyne COC(=O)c1cccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586936995 FD Annotated Anodyne COC(=O)c1cccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c12 ZINC000586937000 FD Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586937002 FD Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2c1 ZINC000586937004 FD Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586937005 FD Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586937007 FD Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3nc(N)nc(Cl)c3[nH]2)c1 ZINC000586937188 FD Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2c1 ZINC000586937363 FD Annotated Anodyne COC(=O)c1ccc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937371 FD Annotated Anodyne COC(=O)c1ccc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2c1 ZINC000586937373 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586937380 FD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586937383 FD Annotated Mild CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1 ZINC000586937429 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937585 FD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586937590 FD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586938047 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000586938053 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586938551 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000586938563 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586938596 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000586938600 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586938935 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586938937 FD Annotated Anodyne COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1F ZINC000586939402 FD Annotated Anodyne COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1F ZINC000586939403 FD Annotated Anodyne CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586939463 FD Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586939464 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586939610 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000586939613 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586939622 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000586939623 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586939648 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000586939649 FD Annotated Anodyne COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl ZINC000586939667 FD Annotated Anodyne COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1Cl ZINC000586939669 FD Annotated Anodyne Cc1cc2[nH]c([C@@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1[N+](=O)[O-] ZINC000586939678 FD Annotated Bother Cc1cc2[nH]c([C@H](C)NS(=O)(=O)c3cnn(C)c3)nc2cc1[N+](=O)[O-] ZINC000586939680 FD Annotated Bother C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586939686 FD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586939690 FD Annotated Bother C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586939695 FD Annotated Mild C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000586939696 FD Annotated Mild C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586939742 FD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000586939743 FD Annotated Bother COc1cc2nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1OC ZINC000586939906 FD Annotated Anodyne COc1cc2nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c2cc1OC ZINC000586939907 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586939927 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000586939928 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586940195 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000586940196 FD Annotated Anodyne C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586940213 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586940214 FD Annotated Anodyne C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586940321 FD Annotated Bother C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586940322 FD Annotated Bother Cc1ccnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586941090 FD Annotated Anodyne Cc1cncc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941094 FD Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586941133 FD Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586941134 FD Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cnc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941226 FD Annotated Anodyne Cc1cc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c(C)n1 ZINC000586941232 FD Annotated Anodyne O=S(=O)(NCc1nc2cccc(O)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941260 FD Annotated Anodyne N#Cc1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586941607 FD Annotated Mild O=S(=O)(NCc1nc2ncc[nH]c-2n1)c1ccc(Br)s1 ZINC000586941688 FD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586941724 FD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586941775 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000586941930 FD Annotated Anodyne Cc1ccnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586941933 FD Annotated Anodyne Cc1cnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 ZINC000586941979 FD Annotated Anodyne Cc1cncc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942026 FD Annotated Anodyne Cc1nccc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 ZINC000586942045 FD Annotated Anodyne O=S(=O)(NCCc1nc2cnc(Cl)[nH]c-2n1)c1ccc(Cl)nc1 ZINC000586942070 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000586942122 FD Annotated Anodyne O=S(=O)(NCCc1nc2ccnc(O)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942189 FD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586942202 FD Annotated Anodyne O=S(=O)(NCCc1nc2nc(Cl)c[nH]c-2n1)c1ccc(Cl)nc1 ZINC000586942285 FD Annotated Anodyne COc1nccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942306 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586942338 FD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586942399 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000586942427 FD Annotated Anodyne Cc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2n1 ZINC000586942431 FD Annotated Anodyne Nc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cc1N ZINC000586942437 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586942447 FD Annotated Anodyne Cc1cnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 ZINC000586942475 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000586942502 FD Annotated Anodyne CNS(=O)(=O)NCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586942527 FD Annotated Anodyne Cc1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2n1 ZINC000586942600 FD Annotated Anodyne O=S(=O)(NCc1nc2ccc(O)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586942609 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586942644 FD Annotated Anodyne COc1ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2n1 ZINC000586942825 FD Annotated Anodyne Nc1ccnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586942830 FD Annotated Anodyne COc1cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2cn1 ZINC000586942861 FD Annotated Anodyne COc1cncc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 ZINC000586942868 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586942885 FD Annotated Anodyne O=S(=O)(NCc1nc2cnncc2[nH]1)c1ccc(Br)s1 ZINC000586942930 FD Annotated Anodyne O=S(=O)(NCCc1nc2ccc(CO)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586943078 FD Annotated Anodyne Cc1nccc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc12 ZINC000586943109 FD Annotated Anodyne O=S(=O)(NCCc1nc2ccc(O)cc2[nH]1)c1ccc(Cl)nc1 ZINC000586943123 FD Annotated Anodyne O=S(=O)(NCCc1nc2c(Cl)ncnc2[nH]1)c1ccc(Cl)nc1 ZINC000586943148 FD Annotated Anodyne O=S(=O)(NCCc1nc2cccc(O)c2[nH]1)c1ccc(Cl)nc1 ZINC000586943210 FD Annotated Anodyne O=S(=O)(NCCc1nc2cc(F)cnc2[nH]1)c1ccc(Cl)nc1 ZINC000586943234 FD Annotated Anodyne O=S(=O)(NCc1nc2cncnc2[nH]1)c1ccc(Br)s1 ZINC000586943246 FD Annotated Anodyne CCOC(=O)Cc1ccc2nc(CCCNS(=O)(=O)CC)[nH]c2c1 ZINC000586943614 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000586943724 FD Annotated Bother CCS(=O)(=O)NCCCc1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000586943764 FD Annotated Anodyne CCS(=O)(=O)NCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586944628 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(CNS(C)(=O)=O)oc3C)nc12 ZINC000586945201 FD Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 ZINC000586945466 FD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ncc[nH]c-2n1 ZINC000586945492 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586945493 FD Annotated Bother Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ncc[nH]c-2n1 ZINC000586945495 FD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cnncc2[nH]1 ZINC000586945598 FD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cnncc2[nH]1 ZINC000586945600 FD Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c12 ZINC000586945627 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586945628 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586945662 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586945763 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586945809 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000586945925 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000586945927 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586945947 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586945952 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586945979 FD Annotated Bother Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586946040 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000586946094 FD Annotated Anodyne COC(=O)c1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cn1 ZINC000586946116 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000586946293 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586946310 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586946311 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586946365 FD Annotated Mild COC(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2n1 ZINC000586946454 FD Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586946498 FD Annotated Bother CNS(=O)(=O)c1cc(-c2nc3c(C#N)nc(Cl)cc3[nH]2)n(C)c1 ZINC000586946581 FD Annotated Mild CNS(=O)(=O)c1ccc(CCc2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586946663 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586946714 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)n(C)c1 ZINC000586946723 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(Br)ccc3[nH]2)n(C)c1 ZINC000586946734 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000586946806 FD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cncnc2[nH]1 ZINC000586946930 FD Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cncnc2[nH]1 ZINC000586946931 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586946988 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n(C)c1 ZINC000586947004 FD Annotated Bother CNS(=O)(=O)c1cc(-c2nc3c(OC)cc(OC)cc3[nH]2)n(C)c1 ZINC000586947015 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cnc(Br)cc3[nH]2)n(C)c1 ZINC000586947043 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586947120 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586947129 FD Annotated Bother CNS(=O)(=O)c1ccc(CCc2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586947138 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586947144 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(Br)cc3[nH]2)n(C)c1 ZINC000586947220 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nccc(Br)c3[nH]2)n(C)c1 ZINC000586947254 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)nccc3[nH]2)n(C)c1 ZINC000586947270 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(Br)cncc3[nH]2)n(C)c1 ZINC000586947359 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586947396 FD Annotated Mild CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)n(C)c1 ZINC000586947404 FD Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586947419 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)n(C)c1 ZINC000586947428 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)n(C)c1 ZINC000586947493 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n(C)c1 ZINC000586947501 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)n(C)c1 ZINC000586947507 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)n(C)c1 ZINC000586947513 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n(C)c1 ZINC000586947551 FD Annotated Anodyne CNS(=O)(=O)c1cc(-c2nc3cc(OC)c(OC)cc3[nH]2)n(C)c1 ZINC000586947571 FD Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2n1 ZINC000586947992 FD Annotated Anodyne COC(=O)c1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cn1 ZINC000586948052 FD Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586948114 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000586948255 FD Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3c(O)nc(S)nc3[nH]2)c1 ZINC000586948286 FD Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000586948359 FD Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 ZINC000586948431 FD Annotated Clean COC(=O)c1ccnc2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc12 ZINC000586948521 FD Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2n1 ZINC000586948654 FD Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586948804 FD Annotated Mild CS(=O)(=O)Nc1ccccc1Cc1nc2c(S)nc(S)nc2[nH]1 ZINC000586948814 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12 ZINC000586948985 FD Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 ZINC000586949022 FD Annotated Clean COC(=O)c1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cn1 ZINC000586949231 FD Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586949708 FD Annotated Anodyne CS(=O)(=O)Nc1ccccc1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586950534 FD Annotated Anodyne CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(C#N)c(C#N)[nH]c-3n2)cc1 ZINC000586950595 FD Annotated Mild Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000586950804 FD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000586951090 FD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586951151 FD Annotated Bother COC(=O)c1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cn1 ZINC000586951169 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586951364 FD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2ccc(CCO)cc2[nH]1 ZINC000586951412 FD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586951463 FD Annotated Anodyne COC(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2n1 ZINC000586951476 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3sc(NS(C)(=O)=O)nc3C)nc12 ZINC000586951657 FD Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586951675 FD Annotated Bother Cc1nc(NS(C)(=O)=O)sc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586951719 FD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)ncc3[nH]2)CC1 ZINC000586951890 FD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3nc(C#N)c(C#N)nc3[nH]2)CC1 ZINC000586952019 FD Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586952222 FD Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000586952240 FD Annotated Anodyne N=c1[nH]cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)nc-2[nH]1 ZINC000586952385 FD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586952438 FD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3nc(C#N)c(C#N)nc3[nH]2)CC1 ZINC000586952738 FD Annotated Mild CC1CCC(NS(=O)(=O)Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 ZINC000586952889 FD Annotated Anodyne COC(=O)c1ccc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2n1 ZINC000586952895 FD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC1 ZINC000586953302 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CS(=O)(=O)NC3CCC(C)CC3)nc12 ZINC000586953326 FD Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnnc(O)c2[nH]1 ZINC000586953405 FD Annotated Anodyne Nc1ncnc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 ZINC000586953656 FD Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000586953708 FD Annotated Bother CC1CCC(NS(=O)(=O)Cc2nc3ccc(C(=O)NN)cc3[nH]2)CC1 ZINC000586953774 FD Annotated Reactive COC(=O)c1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cn1 ZINC000586953796 FD Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(O)ncnc2[nH]1 ZINC000586953989 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 ZINC000586954224 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 ZINC000586954241 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 ZINC000586954243 FD Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3c(O)ncnc3[nH]2)c1)N1CCC1 ZINC000586954422 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 ZINC000586954442 FD Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1 ZINC000586954464 FD Annotated Bother CNS(=O)(=O)N1CCC(c2nc3cc(Cl)nc(C#N)c3[nH]2)CC1 ZINC000586954496 FD Annotated Mild CNS(=O)(=O)N1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 ZINC000586954509 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cncc(Br)c3[nH]2)CC1 ZINC000586954530 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 ZINC000586954538 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 ZINC000586954575 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cccc(Br)c3[nH]2)CC1 ZINC000586954590 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(Br)cnc3[nH]2)CC1 ZINC000586954595 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 ZINC000586954596 FD Annotated Bother CNS(=O)(=O)N1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 ZINC000586954652 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 ZINC000586954656 FD Annotated Anodyne Cc1cnc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc2c1 ZINC000586954715 FD Annotated Anodyne COc1nccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586954720 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccnc(O)c4[nH]3)c2N)C1 ZINC000586954797 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(OC)cc(OC)c3[nH]2)CC1 ZINC000586954805 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(N)ccnc4[nH]3)c2N)C1 ZINC000586954864 FD Annotated Anodyne Cc1ccnc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586954865 FD Annotated Anodyne Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2n1 ZINC000586954872 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cccc(O)c4[nH]3)c2N)C1 ZINC000586954897 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(CO)cc4[nH]3)c2N)C1 ZINC000586954936 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(N)c(N)cc4[nH]3)c2N)C1 ZINC000586954943 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 ZINC000586954990 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C#N)cc(Cl)c3[nH]2)CC1 ZINC000586955015 FD Annotated Mild CNS(=O)(=O)N1CCC(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC1 ZINC000586955094 FD Annotated Anodyne Cc1cncc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955127 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 ZINC000586955156 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 ZINC000586955202 FD Annotated Anodyne COc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cn1 ZINC000586955212 FD Annotated Anodyne N=c1[nH]cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc-2[nH]1 ZINC000586955249 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnnc(O)c4[nH]3)CC2)cc1 ZINC000586955394 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4c[nH]c(=N)[nH]c-4n3)CC2)cc1 ZINC000586955407 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC1 ZINC000586955416 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(OC(C)C)cc3[nH]2)CC1 ZINC000586955459 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 ZINC000586955468 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC1 ZINC000586955486 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 ZINC000586955535 FD Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586955565 FD Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 ZINC000586955572 FD Annotated Anodyne Cc1nccc2[nH]c(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)nc12 ZINC000586955611 FD Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc12 ZINC000586955667 FD Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cnc4[nH]3)c2N)C1 ZINC000586955669 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3ccc(C(C)(C)C)nc3[nH]2)CC1 ZINC000586955686 FD Annotated Anodyne COc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2n1 ZINC000586955700 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 ZINC000586955739 FD Annotated Anodyne CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC1 ZINC000586955823 FD Annotated Bother CCCS(=O)(=O)N1CCC(c2nc3c(S)nc(S)nc3[nH]2)CC1 ZINC000586955833 FD Annotated Anodyne COc1cncc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 ZINC000586955993 FD Annotated Anodyne O=S(=O)(c1ccc(Cl)c(-c2nc3cnnc(O)c3[nH]2)c1)N1CCC1 ZINC000586956055 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586957538 FD Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000586957539 FD Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586957594 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000586957595 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586957879 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000586957881 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586957921 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000586957924 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(C)(C)SCC(=O)O)[nH]c12 ZINC000586958266 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586958272 FD Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000586958275 FD Annotated Bother C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586958331 FD Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000586958332 FD Annotated Bother CN(C)S(=O)(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 ZINC000586958417 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586958872 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586958874 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586959075 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586959077 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 ZINC000586959392 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586959577 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000586959578 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586959957 FD Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000586959959 FD Annotated Mild C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586960008 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000586960010 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586960145 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000586960148 FD Annotated Anodyne C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586960509 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000586960513 FD Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586960516 FD Annotated Bother C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000586960518 FD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(CSC(C)(C)C(=O)O)[nH]c12 ZINC000586960698 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586961465 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000586961477 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586961504 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000586961510 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586961686 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586961687 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586962043 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000586962044 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586962294 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586962295 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586962296 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2nc(Br)c[nH]c-2n1 ZINC000586962297 FD Annotated Anodyne C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586962317 FD Annotated Anodyne C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000586962318 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(O)ncnc2[nH]1 ZINC000586965023 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(N)ncnc2[nH]1 ZINC000586965175 FD Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4c(O)nc(N)nc4[nH]3)n2C)cc1 ZINC000586965180 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccnc(N)c2[nH]1 ZINC000586965206 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586965256 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnncc2[nH]1 ZINC000586965329 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncnc2[nH]1 ZINC000586965357 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ncc[nH]c-2n1 ZINC000586965576 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cnnc(O)c2[nH]1 ZINC000586965607 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(N)ncc2[nH]1 ZINC000586965743 FD Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(N)ccnc2[nH]1 ZINC000586965816 FD Annotated Anodyne Oc1cc(O)nc(SCc2nc3ccc(CN4CCOCC4)cc3[nH]2)n1 ZINC000586966270 FD Annotated Anodyne O=S(=O)(O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1 ZINC000586966674 FD Annotated Anodyne Oc1cc(O)nc(SCc2nc3nc(Br)c[nH]c-3n2)n1 ZINC000586966748 FD Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)n1 ZINC000586966830 FD Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nc(O)cc(O)n4)[nH]c3c2)CC1 ZINC000586966845 FD Annotated Anodyne NNC(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966930 FD Annotated Reactive COC(=O)c1ccc2nc(CSc3nc(O)cc(O)n3)[nH]c2c1OC ZINC000586967016 FD Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nc(O)cc(O)n3)[nH]c2cc1[N+](=O)[O-] ZINC000586967120 FD Annotated Bother N#Cc1nc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2nc1C#N ZINC000586967207 FD Annotated Mild COC(=O)c1cc2[nH]c(CSc3nc(O)cc(O)n3)nc2cc1OC ZINC000586967380 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3ncccc3C(=O)O)[nH]c12 ZINC000586967500 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 ZINC000586968229 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 ZINC000586968356 FD Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cccnc3SCC(=O)O)nc12 ZINC000586968365 FD Annotated Anodyne O=C(O)CSc1ncccc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000586969171 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 ZINC000586969360 FD Annotated Anodyne O=C(O)c1cccnc1SCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586969604 FD Annotated Anodyne O=C(CBr)NCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000586970930 FD Annotated Reactive O=C(CBr)NCCc1nc2nc(Br)c[nH]c-2n1 ZINC000586971349 FD Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586971990 FD Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586971992 FD Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586973815 FD Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000586973821 FD Annotated Anodyne Cc1nn(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)c(C)c1Br ZINC000586978704 FD Annotated Mild CCOc1n[nH]c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1Br ZINC000586979242 FD Annotated Anodyne Cc1nn(Cc2nc3c(O)nc(S)nc3[nH]2)c(C)c1Br ZINC000586979311 FD Annotated Anodyne Cc1nn(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(C)c1Br ZINC000586979428 FD Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1Br ZINC000586980406 FD Annotated Reactive CCOc1n[nH]c(-c2nc3c(O)nc(S)nc3[nH]2)c1Br ZINC000586980411 FD Annotated Anodyne CCOc1n[nH]c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c1Br ZINC000586980444 FD Annotated Mild N[C@H](Cc1cccc(Br)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586985056 FD Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000586985057 FD Annotated Anodyne [N-]=[N+]=Cc1nc2ccc(O)c3c2c(c1C[C@H](N)C(=O)O)-c1ccccc1C3=O ZINC000586986991 FD Annotated Clean O=C(O)CNC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988605 FD Annotated Anodyne N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1 ZINC000586997714 FD Annotated Anodyne N#Cc1nc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2nc1C#N ZINC000586997741 FD Annotated Mild CCn1cc(Br)c(Cc2nc3c(O)nc(S)nc3[nH]2)n1 ZINC000587000766 FD Annotated Anodyne CCn1cc(Br)c(Cc2nc3ccc(C(=O)NN)cc3[nH]2)n1 ZINC000587000808 FD Annotated Reactive CCn1cc(Br)c(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)n1 ZINC000587000925 FD Annotated Anodyne CCn1cc(Br)c(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)n1 ZINC000587001411 FD Annotated Mild Nc1nc(O)c2nc(CCn3ncc4cc(Br)ccc43)[nH]c2n1 ZINC000587002811 FD Annotated Anodyne N#Cc1nc2nc(-c3nc(Cl)cnc3Br)[nH]c2nc1C#N ZINC000587005745 FD Annotated Mild N=c1[nH]c2nc(-c3cnn4cc(Br)cnc34)nc-2c(Cl)[nH]1 ZINC000587006862 FD Annotated Anodyne NNC(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 ZINC000587008566 FD Annotated Reactive Oc1nc(S)nc2[nH]c(-c3cnn4cc(Br)cnc34)nc12 ZINC000587008749 FD Annotated Anodyne N#Cc1nc2nc(-c3cnn4cc(Br)cnc34)[nH]c2nc1C#N ZINC000587009309 FD Annotated Mild CC1=C(c2ccc3nc(C(C)(C)NC(=O)CCl)[nH]c3c2)NNC(=O)C1 ZINC000587009339 FD Annotated Reactive CN(C)S(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1 ZINC000587009349 FD Annotated Reactive CN(C)S(=O)(=O)c1cccc2nc(C(C)(C)NC(=O)CCl)[nH]c12 ZINC000587009483 FD Annotated Reactive CC(C)(NC(=O)CCl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587009560 FD Annotated Reactive CC(C)(C)OC(=O)NCc1nc(-c2nc3c(O)nc(N)nc3[nH]2)cs1 ZINC000587014515 FD Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3c(O)nc(O)nc3[nH]2)cs1 ZINC000587014795 FD Annotated Anodyne O=S(=O)(c1ccc2nc(-c3csc(O)n3)[nH]c2c1)N1CCOCC1 ZINC000587018725 FD Annotated Anodyne Nc1nc(O)c2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2n1 ZINC000587018798 FD Annotated Anodyne N=c1[nH]cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc-2[nH]1 ZINC000587019320 FD Annotated Anodyne Nc1ncnc2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 ZINC000587020121 FD Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(O)nc(N)nc3[nH]2)cs1 ZINC000587020229 FD Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)s2)cn1 ZINC000587021296 FD Annotated Anodyne C[C@@H](O)c1ncc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 ZINC000587021682 FD Annotated Anodyne C[C@H](O)c1ncc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)s1 ZINC000587021683 FD Annotated Anodyne O=C(CCc1nc2cnnc(O)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023494 FD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(N)c(N)cc3[nH]2)s1 ZINC000587023772 FD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(C(N)=O)c3[nH]2)s1 ZINC000587024033 FD Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(C(N)=O)cc3[nH]2)s1 ZINC000587024421 FD Annotated Anodyne O=C(CCc1nc2cnncc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024431 FD Annotated Anodyne Nc1ncnc2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc12 ZINC000587024492 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nnc(S)s3)[nH]c12 ZINC000587024576 FD Annotated Anodyne O=C(CCc1nc2ncc[nH]c-2n1)Nc1nnc(-c2ccncc2)s1 ZINC000587024577 FD Annotated Anodyne N=c1[nH]cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc-2[nH]1 ZINC000587024995 FD Annotated Anodyne O=C(CCc1nc2c(O)ncnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587025223 FD Annotated Anodyne Nc1nccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 ZINC000587025331 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 ZINC000587025442 FD Annotated Anodyne O=C(CCc1nc2cncnc2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587026174 FD Annotated Anodyne Nc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cn1 ZINC000587026574 FD Annotated Anodyne CC1=C(c2ccc3nc(CNC(=O)c4cscn4)[nH]c3c2)NNC(=O)C1 ZINC000587027826 FD Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587028195 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CNC(=O)c3cscn3)[nH]c12 ZINC000587028239 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1 ZINC000587028438 FD Annotated Anodyne O=C(NCc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cscn1 ZINC000587028458 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](N)Cc3cscn3)[nH]c12 ZINC000587029031 FD Annotated Anodyne Cc1c(-c2nc3c(O)nc(N)nc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029041 FD Annotated Anodyne Cc1c(-c2nc3c(O)nc(O)nc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029777 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 ZINC000587030022 FD Annotated Anodyne NNC(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 ZINC000587035163 FD Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(O)ncnc4[nH]3)cc12 ZINC000587037025 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(O)ncnc4[nH]3)cc12 ZINC000587037049 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cnnc(O)c4[nH]3)cc12 ZINC000587037125 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cnnc(O)c4[nH]3)cc12 ZINC000587037127 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(O)nc(O)nc4[nH]3)cc12 ZINC000587037609 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(O)nc(O)nc4[nH]3)cc12 ZINC000587037610 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(N)ncnc4[nH]3)cc12 ZINC000587038377 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(N)ncnc4[nH]3)cc12 ZINC000587038378 FD Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(C#N)c(C#N)[nH]c-2n1 ZINC000587038500 FD Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587038858 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c[nH]c(=N)[nH]c-4n3)cc12 ZINC000587038860 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c[nH]c(=N)[nH]c-4n3)cc12 ZINC000587038864 FD Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C1=O ZINC000587038870 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)C1=O ZINC000587038873 FD Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C1=O ZINC000587039063 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)C1=O ZINC000587039069 FD Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4c(O)nc(N)nc4[nH]3)cc12 ZINC000587039456 FD Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4c(O)nc(N)nc4[nH]3)cc12 ZINC000587039468 FD Annotated Anodyne C=CCN1C(=O)S[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)C1=O ZINC000587039551 FD Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3nc(Br)c[nH]c-3n2)C1=O ZINC000587039556 FD Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C1=O ZINC000587039780 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)C1=O ZINC000587039781 FD Annotated Mild C=CCN1C(=O)S[C@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)C1=O ZINC000587039856 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)C1=O ZINC000587039857 FD Annotated Mild CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587039901 FD Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587041120 FD Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587041123 FD Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)C1=O ZINC000587041497 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)C1=O ZINC000587041499 FD Annotated Mild CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587042246 FD Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587042248 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587042542 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587042543 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587042574 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1 ZINC000587042575 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 ZINC000587042770 FD Annotated Anodyne O=C1CSC[C@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)N1 ZINC000587042801 FD Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(Br)cc(C(=O)O)c3[nH]2)N1 ZINC000587042804 FD Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C1=O ZINC000587043112 FD Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)C1=O ZINC000587043116 FD Annotated Mild Nc1nc(O)c2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 ZINC000587043122 FD Annotated Anodyne Nc1nc(O)c2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2n1 ZINC000587043123 FD Annotated Anodyne O=C1CSC[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)N1 ZINC000587043229 FD Annotated Anodyne O=C1CSC[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)N1 ZINC000587043230 FD Annotated Anodyne O=C1CSC[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)N1 ZINC000587043338 FD Annotated Anodyne O=C1CSC[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)N1 ZINC000587043346 FD Annotated Anodyne O=C1CSC[C@H](c2nc3cc(I)cnc3[nH]2)N1 ZINC000587043823 FD Annotated Anodyne O=C1CSC[C@@H](c2nc3cc(I)cnc3[nH]2)N1 ZINC000587043825 FD Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587051615 FD Annotated Anodyne N=c1nc(-c2ccccc2Cl)c(-c2nc3c(O)nc(=N)[nH]c3[nH]2)c[nH]1 ZINC000587061735 FD Annotated Anodyne Nc1ncc(-c2nc3c(O)nc(O)nc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061737 FD Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2c(O)nc(O)nc2[nH]1 ZINC000587067346 FD Annotated Anodyne Cc1c(-c2nc3c(O)nc(N)nc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073736 FD Annotated Anodyne Nc1nc(O)c2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2n1 ZINC000587076951 FD Annotated Anodyne N#Cc1nc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2nc1C#N ZINC000587084646 FD Annotated Mild N#Cc1nc2nc(C(F)(Br)Br)[nH]c2nc1C#N ZINC000587087374 FD Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1)N1CCOCC1 ZINC000587088874 FD Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c[nH]c(=N)[nH]c-2n1)C(F)(F)F ZINC000587091080 FD Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c[nH]c(=N)[nH]c-2n1)C(F)(F)F ZINC000587091084 FD Annotated Anodyne NNC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 ZINC000587091479 FD Annotated Reactive C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587091520 FD Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587091531 FD Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(O)nc(S)nc3[nH]2)nn1CC(F)(F)F ZINC000587091812 FD Annotated Bother CCOc1ccccc1[C@](N)(c1nc2c(O)nc(O)nc2[nH]1)C(F)(F)F ZINC000587091916 FD Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(O)nc(O)nc2[nH]1)C(F)(F)F ZINC000587091917 FD Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2c(O)nc(N)nc2[nH]1)C(F)(F)F ZINC000587092464 FD Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2c(O)nc(N)nc2[nH]1)C(F)(F)F ZINC000587092466 FD Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587093060 FD Annotated Anodyne C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587093063 FD Annotated Anodyne N#Cc1nc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2nc1C#N ZINC000587093153 FD Annotated Mild N=c1[nH]c2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc-2c(Cl)[nH]1 ZINC000587093189 FD Annotated Bother Cc1csc([C@](O)(Cc2nc3c(O)nc(N)nc3[nH]2)C(F)(F)F)n1 ZINC000587093497 FD Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(O)nc(N)nc3[nH]2)C(F)(F)F)n1 ZINC000587093498 FD Annotated Anodyne Cc1csc([C@](O)(Cc2nc3c(O)nc(O)nc3[nH]2)C(F)(F)F)n1 ZINC000587094088 FD Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3c(O)nc(O)nc3[nH]2)C(F)(F)F)n1 ZINC000587094089 FD Annotated Anodyne O=C1CN(C(=O)Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCN1 ZINC000587107314 FD Annotated Anodyne Nc1nc(O)c2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2n1 ZINC000587108988 FD Annotated Bother Oc1nncc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 ZINC000587112097 FD Annotated Anodyne Oc1ncnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587113263 FD Annotated Anodyne Nc1ncnc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc12 ZINC000587113384 FD Annotated Anodyne N=c1[nH]cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc-2[nH]1 ZINC000587113836 FD Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(O)nc2[nH]1 ZINC000587117201 FD Annotated Bother Nc1ncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 ZINC000587117252 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 ZINC000587117574 FD Annotated Anodyne Nc1nc(O)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2n1 ZINC000587117609 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 ZINC000587118790 FD Annotated Anodyne Oc1nncc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587118893 FD Annotated Anodyne Oc1nc(O)c2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2n1 ZINC000587118978 FD Annotated Anodyne Nc1nc(O)c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 ZINC000587119833 FD Annotated Anodyne Oc1nc(O)c2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 ZINC000587119961 FD Annotated Anodyne Nc1ncnc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c12 ZINC000587119963 FD Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587120073 FD Annotated Anodyne Nc1nc(O)c2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2n1 ZINC000587120745 FD Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(O)nc4[nH]3)cc2N1 ZINC000587122929 FD Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(O)nc4[nH]3)cc2N1 ZINC000587122931 FD Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(O)nc4[nH]3)cc2N1 ZINC000587122933 FD Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(O)nc4[nH]3)cc2N1 ZINC000587122935 FD Annotated Anodyne O=C(c1ccc2nc(COC(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587123039 FD Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(N)nc4[nH]3)cc2N1 ZINC000587124587 FD Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(N)nc4[nH]3)cc2N1 ZINC000587124590 FD Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(N)nc4[nH]3)cc2N1 ZINC000587124591 FD Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(O)nc(N)nc4[nH]3)cc2N1 ZINC000587124593 FD Annotated Anodyne Nc1nc(O)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2n1 ZINC000587127210 FD Annotated Anodyne O=S(=O)(c1ncccc1-c1nc2c(O)nc(O)nc2[nH]1)C(F)(F)F ZINC000587127591 FD Annotated Anodyne FC(F)c1c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cnc2ncnn12 ZINC000587128121 FD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ncc[nH]c-2n1 ZINC000587128280 FD Annotated Anodyne O=C1COc2cc3[nH]c(-c4cnc5ncnn5c4C(F)F)nc3cc2N1 ZINC000587128285 FD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cnncc2[nH]1 ZINC000587128535 FD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cncnc2[nH]1 ZINC000587128547 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c12 ZINC000587128941 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3nnn(C)c3C(F)F)[nH]c12 ZINC000587129278 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129298 FD Annotated Anodyne NS(=O)(=O)c1cccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 ZINC000587129321 FD Annotated Anodyne FC(F)c1c(-c2nc3c(S)nc(S)nc3[nH]2)cnc2ncnn12 ZINC000587129362 FD Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cnc4ncnn4c3C(F)F)[nH]c2c1 ZINC000587129458 FD Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC(F)(F)C1 ZINC000587131280 FD Annotated Anodyne CC(C)OC(=O)C1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC(F)(F)C1 ZINC000587131708 FD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(O)nc(N)nc3[nH]2)C(F)(F)C1 ZINC000587131914 FD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(O)nc(N)nc3[nH]2)C(F)(F)C1 ZINC000587131918 FD Annotated Anodyne CC(C)OC(=O)C1(c2nc3ccc(C(=O)NN)cc3[nH]2)CC(F)(F)C1 ZINC000587131969 FD Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(O)nc(O)nc3[nH]2)C(F)(F)C1 ZINC000587132025 FD Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3c(O)nc(O)nc3[nH]2)C(F)(F)C1 ZINC000587132026 FD Annotated Anodyne COc1nccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587133806 FD Annotated Anodyne O=S(=O)(NCc1nc2ccc(CO)cc2[nH]1)c1ccc(F)c(F)c1F ZINC000587133858 FD Annotated Anodyne Nc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1N ZINC000587134380 FD Annotated Anodyne O=S(=O)(NCc1nc2cc(F)cnc2[nH]1)c1ccc(F)c(F)c1F ZINC000587134999 FD Annotated Anodyne O=S(=O)(NCc1nc2ccnc(O)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587135000 FD Annotated Anodyne COc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cn1 ZINC000587135490 FD Annotated Anodyne COc1cncc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135532 FD Annotated Anodyne Nc1nccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 ZINC000587135551 FD Annotated Anodyne Nc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cn1 ZINC000587135585 FD Annotated Anodyne Nc1ccnc2[nH]c(CNS(=O)(=O)c3ccc(F)c(F)c3F)nc12 ZINC000587135612 FD Annotated Anodyne COc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2n1 ZINC000587136360 FD Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2n1 ZINC000587140130 FD Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 ZINC000587141340 FD Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587141543 FD Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587141847 FD Annotated Anodyne NS(=O)(=O)c1ccc(F)c(-c2nc3nc(Br)c[nH]c-3n2)c1 ZINC000587141854 FD Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c12 ZINC000587142314 FD Annotated Mild N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1F ZINC000587143662 FD Annotated Anodyne N[C@@H](Cc1nc2c(O)nc(O)nc2[nH]1)c1ccc(Br)cc1F ZINC000587143667 FD Annotated Anodyne N=c1[nH]cc2nc(C[C@@H](N)c3ccc(Br)cc3F)nc-2[nH]1 ZINC000587144935 FD Annotated Anodyne N=c1[nH]cc2nc(C[C@H](N)c3ccc(Br)cc3F)nc-2[nH]1 ZINC000587144936 FD Annotated Anodyne Nc1nc(O)c2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1 ZINC000587144950 FD Annotated Anodyne Nc1nc(O)c2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1 ZINC000587144951 FD Annotated Anodyne Nc1nc(O)c2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587147932 FD Annotated Anodyne Nc1nc(O)c2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 ZINC000587147935 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2c1 ZINC000587148498 FD Annotated Bother NS(=O)(=O)c1cccc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c12 ZINC000587148814 FD Annotated Bother O=C1C[C@@H](c2nc3c(O)nc(O)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151436 FD Annotated Anodyne O=C1C[C@H](c2nc3c(O)nc(O)nc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587151443 FD Annotated Anodyne CCCc1nc(-c2nc3c(O)nc(N)nc3[nH]2)nn1-c1ccccc1F ZINC000587154563 FD Annotated Anodyne Cn1nc(-c2nc3cc(I)cnc3[nH]2)c(F)c1O ZINC000587155440 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3nn(C)c(O)c3F)[nH]c2c1 ZINC000587155802 FD Annotated Anodyne Cn1nc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(F)c1O ZINC000587156752 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2c1 ZINC000587158494 FD Annotated Bother NS(=O)(=O)c1cccc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c12 ZINC000587159219 FD Annotated Bother Oc1nc(O)c2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 ZINC000587160557 FD Annotated Anodyne Nc1nc(O)c2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 ZINC000587161737 FD Annotated Anodyne O=C1CC=C(c2nc3c(O)nc(O)nc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163058 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 ZINC000587163130 FD Annotated Anodyne N=c1[nH]c2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc-2c(Cl)[nH]1 ZINC000587164330 FD Annotated Anodyne N#Cc1nc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2nc1C#N ZINC000587164452 FD Annotated Mild O=C1CC=C(c2nc3c(O)nc(S)nc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164506 FD Annotated Anodyne Nc1nc(O)c2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2n1 ZINC000587168332 FD Annotated Anodyne Nc1nc(O)c2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587168423 FD Annotated Anodyne Nc1nc(O)c2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2n1 ZINC000587168424 FD Annotated Anodyne CN(Cc1nc2c(O)nc(S)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169292 FD Annotated Anodyne CN(Cc1nc2c(Cl)ncnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169316 FD Annotated Anodyne CN(Cc1nc2nc(Cl)c[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169403 FD Annotated Anodyne CN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169669 FD Annotated Mild CN(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169702 FD Annotated Bother COc1nccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587169736 FD Annotated Anodyne COc1cncc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587170211 FD Annotated Anodyne CN(Cc1nc2ccc(C(N)=O)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170316 FD Annotated Anodyne COc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cn1 ZINC000587170885 FD Annotated Anodyne CN(Cc1nc2cnc(Cl)[nH]c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587170951 FD Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 ZINC000587171067 FD Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 ZINC000587171239 FD Annotated Anodyne CN(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171352 FD Annotated Anodyne COc1ccc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2n1 ZINC000587171354 FD Annotated Anodyne CN(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587171377 FD Annotated Bother C[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173875 FD Annotated Reactive C[C@@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587173885 FD Annotated Reactive Cn1nc(-c2nc3cnccc3[nH]2)c(I)c1C(=O)O ZINC000587179964 FD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ccncc2[nH]1 ZINC000587180134 FD Annotated Anodyne Cn1nc(-c2nc3cccnc3[nH]2)c(I)c1C(=O)O ZINC000587180144 FD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncc[nH]c-2n1 ZINC000587180258 FD Annotated Anodyne COc1ccc(-c2nc3c[nH]c(=N)[nH]c-3n2)c(I)c1 ZINC000587180397 FD Annotated Anodyne Cn1nc(-c2nc3cncnc3[nH]2)c(I)c1C(=O)O ZINC000587180579 FD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2cnncc2[nH]1 ZINC000587180633 FD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncncc2[nH]1 ZINC000587181057 FD Annotated Anodyne Cn1nc(-c2nc3cnncc3[nH]2)c(I)c1C(=O)O ZINC000587181421 FD Annotated Anodyne Cn1nc(-c2nc3ncc[nH]c-3n2)c(I)c1C(=O)O ZINC000587181472 FD Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2ncccc2[nH]1 ZINC000587181624 FD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(O)ncnc2[nH]1 ZINC000587181732 FD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(O)ncnc2[nH]1 ZINC000587181733 FD Annotated Anodyne Nc1ccnc2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587181750 FD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3ccnc(O)c3[nH]2)n1 ZINC000587181765 FD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cnnc(O)c2[nH]1 ZINC000587181837 FD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cnnc(O)c2[nH]1 ZINC000587181838 FD Annotated Anodyne Cc1ccnc2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587181861 FD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cnccc3[nH]2)n1 ZINC000587181880 FD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccc(O)c3[nH]2)n1 ZINC000587182173 FD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c(N)ncnc2[nH]1 ZINC000587182455 FD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c(N)ncnc2[nH]1 ZINC000587182463 FD Annotated Anodyne Cc1nccc2[nH]c(-c3nc(O)nc(O)c3I)nc12 ZINC000587182475 FD Annotated Anodyne Cc1cncc2nc(-c3nc(O)nc(O)c3I)[nH]c12 ZINC000587182490 FD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(F)cnc3[nH]2)n1 ZINC000587182540 FD Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cccnc3[nH]2)n1 ZINC000587182571 FD Annotated Anodyne Nc1nc(O)c2nc(-c3cc(I)ccc3F)[nH]c2n1 ZINC000587182618 FD Annotated Anodyne Cc1cnc2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 ZINC000587182807 FD Annotated Anodyne Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2n1 ZINC000587182866 FD Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587183066 FD Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587183068 FD Annotated Anodyne Oc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 ZINC000587183122 FD Annotated Anodyne N#Cc1nc2nc(-c3cncc(I)c3)[nH]c2nc1C#N ZINC000587184218 FD Annotated Mild Oc1nc(O)c2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587184324 FD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ncccc3[nH]2)n1 ZINC000587185252 FD Annotated Anodyne Nc1nc(O)c2nc(-c3cncc(I)c3)[nH]c2n1 ZINC000587185298 FD Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3ccncc3[nH]2)n1 ZINC000587185309 FD Annotated Anodyne O=C(O)c1nn(Cc2nc3cnccc3[nH]2)cc1I ZINC000587185352 FD Annotated Anodyne O=C(O)c1nn(Cc2nc3cccnc3[nH]2)cc1I ZINC000587185426 FD Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3nccnc3I)nc12 ZINC000587186005 FD Annotated Anodyne N#Cc1nc2nc(-c3nccnc3I)[nH]c2nc1C#N ZINC000587186296 FD Annotated Mild N=c1[nH]c2nc(-c3nccnc3I)nc-2c(Cl)[nH]1 ZINC000587186365 FD Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3nccnc3I)[nH]c12 ZINC000587186626 FD Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186878 FD Annotated Bother C=C(CN(C)C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587189898 FD Annotated Mild N=c1[nH]c2nc(CCN(CCC(=O)O)Cc3ccccc3)nc-2c(Cl)[nH]1 ZINC000587193217 FD Annotated Anodyne O=C(O)CCN(CCc1nc2c(O)nc(O)nc2[nH]1)Cc1ccccc1 ZINC000587193267 FD Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587193760 FD Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587193761 FD Annotated Anodyne O=C(O)CCN(CCc1nc2c(O)nc(S)nc2[nH]1)Cc1ccccc1 ZINC000587194036 FD Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587194225 FD Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587194227 FD Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587194300 FD Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587194304 FD Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587194684 FD Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587194687 FD Annotated Anodyne Cc1nc(N(C)C)ncc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587196192 FD Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(N)nc2[nH]1)C[C@H]1CCCO1 ZINC000587196972 FD Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(N)nc2[nH]1)C[C@@H]1CCCO1 ZINC000587196973 FD Annotated Anodyne CN(C)C(=O)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587197044 FD Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(O)nc2[nH]1)C[C@H]1CCCO1 ZINC000587197854 FD Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2c(O)nc(O)nc2[nH]1)C[C@@H]1CCCO1 ZINC000587197855 FD Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C ZINC000587198205 FD Annotated Anodyne CC(C)[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C ZINC000587199156 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587202053 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587202054 FD Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(O)nc(N)nc2[nH]1)C(C)(C)C ZINC000587202367 FD Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(O)nc(N)nc2[nH]1)C(C)(C)C ZINC000587202373 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)nc2[nH]1 ZINC000587202676 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)nc2[nH]1 ZINC000587202688 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccnc(Br)c2[nH]1 ZINC000587202820 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccnc(Br)c2[nH]1 ZINC000587202822 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Br)ccnc2[nH]1 ZINC000587203082 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(Br)ccnc2[nH]1 ZINC000587203084 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cncc(Br)c2[nH]1 ZINC000587203179 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cncc(Br)c2[nH]1 ZINC000587203180 FD Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(O)nc(N)nc3[nH]2)c1 ZINC000587203475 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587203479 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587203485 FD Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203541 FD Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2c1 ZINC000587203542 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587203545 FD Annotated Bother CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587203546 FD Annotated Bother CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587204640 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587204641 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587204663 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587204668 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587204706 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587204707 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)ncc2[nH]1 ZINC000587204728 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)ncc2[nH]1 ZINC000587204729 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587204730 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587204731 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587204872 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587204873 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587205036 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587205056 FD Annotated Anodyne CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587205180 FD Annotated Anodyne CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587205181 FD Annotated Anodyne COC(=O)c1nnn(Cc2cc3c4c(cccc4n2)CC3)c1C(=O)OC ZINC000587210673 FD Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1 ZINC000587216744 FD Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(C)cc1 ZINC000587216745 FD Annotated Anodyne C=CCc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587217969 FD Annotated Mild C=CCc1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587217970 FD Annotated Mild C=CCc1cccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12 ZINC000587217971 FD Annotated Mild C=CCc1cccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12 ZINC000587217975 FD Annotated Mild Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1C ZINC000587219271 FD Annotated Anodyne Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2c1C ZINC000587219275 FD Annotated Anodyne Cc1ccc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1C ZINC000587219277 FD Annotated Anodyne Cc1ccc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2c1C ZINC000587219279 FD Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C ZINC000587219809 FD Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C ZINC000587219810 FD Annotated Anodyne Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C ZINC000587219811 FD Annotated Anodyne Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C ZINC000587219812 FD Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587220072 FD Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc12 ZINC000587220075 FD Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587220078 FD Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc12 ZINC000587220080 FD Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587222357 FD Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1 ZINC000587222360 FD Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587222361 FD Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1 ZINC000587222364 FD Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2cn1 ZINC000587223297 FD Annotated Anodyne COC(=O)c1cc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2cn1 ZINC000587223299 FD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587224178 FD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587224185 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNC(=O)[C@@H](C)Oc3ccccc3)nc12 ZINC000587224189 FD Annotated Anodyne COC(=O)c1ccnc2[nH]c(CNC(=O)[C@H](C)Oc3ccccc3)nc12 ZINC000587224191 FD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587224831 FD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587224838 FD Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587225073 FD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587225075 FD Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c2n1 ZINC000587225784 FD Annotated Anodyne COC(=O)c1ccc2nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c2n1 ZINC000587225785 FD Annotated Anodyne Nc1nc(O)c2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587226022 FD Annotated Anodyne Nc1nc(O)c2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2n1 ZINC000587226036 FD Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(F)cnc2[nH]1 ZINC000587226929 FD Annotated Anodyne N#Cc1cccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 ZINC000587227607 FD Annotated Mild N#Cc1ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587227773 FD Annotated Mild CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587227884 FD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000587228023 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587228279 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587228346 FD Annotated Anodyne Nc1ccc(-c2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)cc1N ZINC000587228421 FD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccnc(N)c3[nH]2)cc1 ZINC000587228603 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587228830 FD Annotated Anodyne Cc1c(Br)cc2nc(CNCCNCC(=O)O)[nH]c2c1C ZINC000587228833 FD Annotated Anodyne O=C(O)CNCCNCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587228911 FD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(N)ncc3[nH]2)cc1 ZINC000587228950 FD Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(O)ncnc3[nH]2)cc1 ZINC000587228999 FD Annotated Anodyne Nc1ccc(Oc2ccc3nc(CNCCNCC(=O)O)[nH]c3c2)cc1 ZINC000587229013 FD Annotated Clean CCOC(=O)Nc1ccc(C(=O)NCc2nc3cnnc(O)c3[nH]2)cc1 ZINC000587229020 FD Annotated Anodyne O=C(O)CNCCNCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587229093 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587229121 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587229129 FD Annotated Anodyne O=C(O)CNCCNCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587229130 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587229254 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587229350 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587229477 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587229478 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587229480 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587229482 FD Annotated Anodyne O=C(O)CNCCNCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587229483 FD Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587229535 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587229539 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587229540 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587229541 FD Annotated Anodyne O=C(O)CNCCNCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587229581 FD Annotated Bother COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587229696 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587229697 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587229699 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587229700 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587230218 FD Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587230219 FD Annotated Reactive COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587230221 FD Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587230223 FD Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587230402 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587230405 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587230406 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587230407 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587230415 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587230416 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587230417 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587230418 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587230506 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587230515 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587230517 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(O)nc(S)nc2[nH]1 ZINC000587230519 FD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3cnncc3[nH]2)c1 ZINC000587230580 FD Annotated Anodyne CCNC(=O)CCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587230950 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587230985 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587230986 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587230987 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587230988 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587231806 FD Annotated Mild COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587231807 FD Annotated Mild COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587231808 FD Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587231809 FD Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3cncnc3[nH]2)c1 ZINC000587232107 FD Annotated Anodyne COCCNC(=O)c1cccc(NC(=O)CCc2nc3ncc[nH]c-3n2)c1 ZINC000587232455 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587232476 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587232477 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587232478 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587232479 FD Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587233776 FD Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587233778 FD Annotated Anodyne CNC(=O)[C@H]1C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587233779 FD Annotated Anodyne CNC(=O)[C@H]1C[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587233780 FD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(N)nc3[nH]2)CCC(=O)CC1 ZINC000587234529 FD Annotated Anodyne CC(=O)NC1(c2nc3cccc(S(N)(=O)=O)c3[nH]2)CCC(C)CC1 ZINC000587234750 FD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(O)nc3[nH]2)CCC(=O)CC1 ZINC000587234781 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2c1 ZINC000587235922 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2c1 ZINC000587235924 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2c1 ZINC000587235925 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2c1 ZINC000587235927 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c2c1 ZINC000587236203 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3C(=O)NC)[nH]c2c1 ZINC000587236204 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3C(=O)NC)[nH]c2c1 ZINC000587236205 FD Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3C(=O)NC)[nH]c2c1 ZINC000587236206 FD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(N)nc3[nH]2)CCC(O)CC1 ZINC000587236640 FD Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3c(O)nc(O)nc3[nH]2)CCC(O)CC1 ZINC000587236944 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(NC(N)=O)c3)[nH]c12 ZINC000587241700 FD Annotated Anodyne NCCOCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587244410 FD Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000587244784 FD Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000587245346 FD Annotated Anodyne NCCOCCOCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587245466 FD Annotated Bother NCCOCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587245837 FD Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CCOCCOCCN)nc2c1 ZINC000587245877 FD Annotated Mild NCCOCCOCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587245889 FD Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587245894 FD Annotated Anodyne NCCOCCOCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587245982 FD Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(S(N)(=O)=O)c3[nH]1)C2 ZINC000587246148 FD Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(S(N)(=O)=O)c3[nH]1)C2 ZINC000587246150 FD Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(-n4cnnn4)cc3[nH]1)C2 ZINC000587246152 FD Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(-n4cnnn4)cc3[nH]1)C2 ZINC000587246153 FD Annotated Anodyne NCCOCCOCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587246377 FD Annotated Bother NCCOCCOCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587246707 FD Annotated Anodyne NCCOCCOCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587246902 FD Annotated Anodyne NCCOCCOCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587246961 FD Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(N)(=O)=O)cc3[nH]1)C2 ZINC000587247362 FD Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(S(N)(=O)=O)cc3[nH]1)C2 ZINC000587247363 FD Annotated Anodyne COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(=O)NN)cc3[nH]1)C2 ZINC000587247391 FD Annotated Reactive COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(=O)NN)cc3[nH]1)C2 ZINC000587247392 FD Annotated Reactive N[C@@H]1CC[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)C1 ZINC000587247791 FD Annotated Anodyne N[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)CCOC1 ZINC000587248269 FD Annotated Anodyne N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)CCOC1 ZINC000587248270 FD Annotated Anodyne N=c1cc[nH]cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587249467 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 ZINC000587249843 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(N)c3C(=O)O)[nH]c12 ZINC000587249853 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 ZINC000587250712 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c12 ZINC000587250771 FD Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 ZINC000587250796 FD Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c12 ZINC000587251647 FD Annotated Anodyne Nc1ncc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(O)n1 ZINC000587253112 FD Annotated Anodyne Nc1ncc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(O)n1 ZINC000587253190 FD Annotated Bother Nc1ncc(-c2nc3cc(I)cnc3[nH]2)c(O)n1 ZINC000587253208 FD Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cnc(N)nc3O)nc2c1 ZINC000587253318 FD Annotated Anodyne Nc1ncc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(O)n1 ZINC000587253363 FD Annotated Bother Nc1ncc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(O)n1 ZINC000587253547 FD Annotated Anodyne Nc1ncc(-c2nc3cccc(I)c3[nH]2)c(O)n1 ZINC000587253611 FD Annotated Anodyne Nc1ncc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(O)n1 ZINC000587253869 FD Annotated Clean Nc1ncc(-c2cccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2)cn1 ZINC000587254006 FD Annotated Anodyne Nc1ncc(-c2nc3ccc(I)cc3[nH]2)c(O)n1 ZINC000587254271 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(N)nc3)[nH]c2c1 ZINC000587254593 FD Annotated Anodyne COc1cncc(N)c1-c1nc2cc(C3=C(C)CC(=O)NN3)ccc2[nH]1 ZINC000587254921 FD Annotated Anodyne Nc1ccc(Cc2nc3cc(I)cnc3[nH]2)cn1 ZINC000587255015 FD Annotated Anodyne CC1=C(c2ccc3nc(C4=C(N)C(C)(C)OC4=O)[nH]c3c2)NNC(=O)C1 ZINC000587255099 FD Annotated Anodyne CC1(C)OC(=O)C(c2nc3cc(I)cnc3[nH]2)=C1N ZINC000587255446 FD Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587255690 FD Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587255711 FD Annotated Anodyne CC1(C)OC(=O)C(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)=C1N ZINC000587255777 FD Annotated Anodyne N[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)C1COC1 ZINC000587256187 FD Annotated Anodyne CN1CCN(c2ccc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587256544 FD Annotated Anodyne COC(=O)c1cc2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2cc1OC ZINC000587256672 FD Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587256711 FD Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2nc(Br)c[nH]c-2n1 ZINC000587256898 FD Annotated Anodyne CC(C)(C)OC(=O)[C@H](N)CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587256906 FD Annotated Bother COC(=O)c1ccc2nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587256929 FD Annotated Anodyne NC1CCC(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 ZINC000587256938 FD Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587257550 FD Annotated Mild C=CC[C@@](C)(N)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587257897 FD Annotated Mild COC(=O)CC[C@H](N)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587258342 FD Annotated Anodyne COC(=O)CC[C@H](N)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587258451 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(I)cc2[nH]1 ZINC000587258640 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587258651 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587258686 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587258870 FD Annotated Anodyne CC(C)(C)[C@H](N)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587259042 FD Annotated Anodyne COC(=O)CC[C@H](N)c1nc2cc(I)cnc2[nH]1 ZINC000587259108 FD Annotated Anodyne COC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1OC ZINC000587259251 FD Annotated Anodyne COC(=O)CC[C@H](N)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587259319 FD Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](N)Cc3cccc(C(N)=O)c3)nc2cc1OC ZINC000587259386 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(I)cnc2[nH]1 ZINC000587259397 FD Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c2c1 ZINC000587259791 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587259851 FD Annotated Bother N#Cc1cc(Br)c2[nH]c([C@@H](N)CCCNC(N)=O)nc2c1 ZINC000587259884 FD Annotated Mild NC(=O)NCCC[C@H](N)c1nc2cccc(I)c2[nH]1 ZINC000587259912 FD Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 ZINC000587259947 FD Annotated Bother NC(=O)NCCC[C@H](N)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587260407 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587260441 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)CCC(=O)OC)[nH]c2c1 ZINC000587260512 FD Annotated Anodyne NC(=O)NCCC[C@H](N)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587260515 FD Annotated Bother NC(=O)c1cccc(C[C@H](N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 ZINC000587260599 FD Annotated Anodyne NC(=O)c1cccc(C[C@H](N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 ZINC000587260666 FD Annotated Anodyne COc1cc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260973 FD Annotated Mild COc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c(OC)c([N+](=O)[O-])c1 ZINC000587261034 FD Annotated Bother Cc1cc(C#Cc2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587261704 FD Annotated Mild COC(=O)c1ccc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587261748 FD Annotated Mild COC(=O)c1ccnc2[nH]c(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc12 ZINC000587261784 FD Annotated Mild N=c1[nH]c2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)nc-2c(Cl)[nH]1 ZINC000587261833 FD Annotated Mild C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261910 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261912 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261913 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261915 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261929 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587261930 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261931 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3c(S)nc(S)nc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587261932 FD Annotated Bother N#Cc1nc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2nc1C#N ZINC000587261981 FD Annotated Mild Cc1cc(C#Cc2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262105 FD Annotated Mild COc1cc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)ccc1[N+](=O)[O-] ZINC000587262131 FD Annotated Mild C[C@@H]1CC(=O)[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587262180 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587262181 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587262182 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587262183 FD Annotated Bother O=CC(C=O)c1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587262333 FD Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1[N+](=O)[O-] ZINC000587262568 FD Annotated Mild O=CC(C=O)c1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1[N+](=O)[O-] ZINC000587262647 FD Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cncnc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263204 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263387 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263388 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263390 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(C)(=O)=O)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263392 FD Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587263480 FD Annotated Bother NC(=O)c1cc(N2CCC(c3nc4ncc[nH]c-4n3)CC2)ccc1[N+](=O)[O-] ZINC000587263608 FD Annotated Bother COc1cc(OCc2nc3ccc(C(=O)NN)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263610 FD Annotated Reactive C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263655 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263656 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263657 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263658 FD Annotated Bother COc1cc(OCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1[N+](=O)[O-] ZINC000587263694 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263736 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263737 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]1C[N+](=O)[O-] ZINC000587263739 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] ZINC000587263741 FD Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587263749 FD Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587263752 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587263762 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587263763 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@@H]1C[N+](=O)[O-] ZINC000587263764 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3nc(Br)c[nH]c-3n2)[C@H]1C[N+](=O)[O-] ZINC000587263765 FD Annotated Bother COC(=O)c1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cn1 ZINC000587263889 FD Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)nc12 ZINC000587263903 FD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587263964 FD Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(N)nc2[nH]1 ZINC000587264087 FD Annotated Bother COCCOc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264232 FD Annotated Bother N#Cc1nc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2nc1C#N ZINC000587264282 FD Annotated Mild NNC(=O)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 ZINC000587264662 FD Annotated Reactive COCCNc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587264757 FD Annotated Mild C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 ZINC000587264940 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 ZINC000587264945 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 ZINC000587264946 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnncc2[nH]1 ZINC000587264949 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 ZINC000587265448 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 ZINC000587265449 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 ZINC000587265451 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(N)ncc2[nH]1 ZINC000587265452 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]1C[N+](=O)[O-] ZINC000587265716 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1C[N+](=O)[O-] ZINC000587265719 FD Annotated Bother C[C@@H]1CC(=O)[C@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]1C[N+](=O)[O-] ZINC000587265724 FD Annotated Bother C[C@@H]1CC(=O)[C@@H](Cc2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]1C[N+](=O)[O-] ZINC000587265727 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 ZINC000587265865 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 ZINC000587265870 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 ZINC000587265874 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ccnc2[nH]1 ZINC000587265878 FD Annotated Bother COCCOc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587265977 FD Annotated Mild N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587266104 FD Annotated Bother COC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1 ZINC000587266105 FD Annotated Bother N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587266107 FD Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 ZINC000587266282 FD Annotated Bother NNC(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587266499 FD Annotated Reactive COCCNc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1[N+](=O)[O-] ZINC000587266515 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 ZINC000587266823 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 ZINC000587266828 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 ZINC000587266830 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(N)ncnc2[nH]1 ZINC000587266832 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587266843 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587266847 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587266849 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587266850 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 ZINC000587267103 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 ZINC000587267104 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 ZINC000587267105 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(N)c2[nH]1 ZINC000587267106 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 ZINC000587267140 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 ZINC000587267141 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 ZINC000587267142 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ncc[nH]c-2n1 ZINC000587267143 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267186 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267191 FD Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 ZINC000587267454 FD Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 ZINC000587267455 FD Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 ZINC000587267456 FD Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncnc2[nH]1 ZINC000587267457 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587267571 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587267572 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587267573 FD Annotated Bother Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587267574 FD Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587267613 FD Annotated Bother Nc1ncc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587267618 FD Annotated Bother CC1=C(c2ccc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 ZINC000587267693 FD Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587268156 FD Annotated Bother CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587268359 FD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c12 ZINC000587268373 FD Annotated Bother N#Cc1nc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2nc1C#N ZINC000587268932 FD Annotated Mild O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(O)nc(S)nc4[nH]3)nn2)c1 ZINC000587268956 FD Annotated Bother O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587269083 FD Annotated Bother N=c1[nH]cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc-2[nH]1 ZINC000587269396 FD Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587269546 FD Annotated Bother N=c1[nH]c2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc-2c(Cl)[nH]1 ZINC000587269647 FD Annotated Bother O=[N+]([O-])c1cccnc1NCc1nc2nc(Br)c[nH]c-2n1 ZINC000587269731 FD Annotated Bother NNC(=O)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 ZINC000587269781 FD Annotated Reactive Nc1ncnc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000587270529 FD Annotated Bother NNC(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 ZINC000587270588 FD Annotated Reactive O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)nn2)c1 ZINC000587270643 FD Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cnnc(O)c3[nH]2)CC1 ZINC000587270926 FD Annotated Bother N[C@@H](CCc1nc2cc(F)cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270955 FD Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587271001 FD Annotated Bother N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587271038 FD Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)ncnc3[nH]2)CC1 ZINC000587271081 FD Annotated Bother N[C@@H](CCc1nc2ccnc(O)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587271091 FD Annotated Bother Nc1nccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271174 FD Annotated Bother Cc1cc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c(C)n1 ZINC000587271237 FD Annotated Bother Nc1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587271253 FD Annotated Bother COc1cncc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271278 FD Annotated Bother Cc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587271349 FD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cnc2[nH]1 ZINC000587271641 FD Annotated Bother Cc1nccc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587271656 FD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(F)c2[nH]1 ZINC000587272091 FD Annotated Bother COc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272147 FD Annotated Bother COc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587272355 FD Annotated Bother Cc1cncc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272497 FD Annotated Bother Cc1cc(F)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587272517 FD Annotated Bother N#Cc1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587272683 FD Annotated Mild Cc1ccnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 ZINC000587273267 FD Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(O)c2[nH]1 ZINC000587273443 FD Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2cc(I)cnc2[nH]1 ZINC000587273510 FD Annotated Bother CC1=C(c2ccc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3c2)NNC(=O)C1 ZINC000587273550 FD Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3nc(Br)c[nH]c-3n2)n1 ZINC000587273881 FD Annotated Bother Cc1cnc2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000587273943 FD Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587274022 FD Annotated Bother Cc1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 ZINC000587274027 FD Annotated Bother Cc1c(F)ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587274306 FD Annotated Bother COc1nccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 ZINC000587274438 FD Annotated Bother O=[N+]([O-])c1ccn(CCCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)n1 ZINC000587274473 FD Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587274595 FD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587274607 FD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587274610 FD Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587274834 FD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587274862 FD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587274864 FD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587274938 FD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587274939 FD Annotated Bother Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587274988 FD Annotated Bother Cn1nc([N+](=O)[O-])cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587275038 FD Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c12 ZINC000587275075 FD Annotated Bother CC1=C(c2ccc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3c2)NNC(=O)C1 ZINC000587275207 FD Annotated Bother C[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275215 FD Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587275218 FD Annotated Bother O=C(c1cc([N+](=O)[O-])n[nH]1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275431 FD Annotated Bother C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587275667 FD Annotated Bother C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587275668 FD Annotated Bother C[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276124 FD Annotated Bother C[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)n1cc([N+](=O)[O-])cn1 ZINC000587276125 FD Annotated Bother O=C(CS(=O)(=O)Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587276169 FD Annotated Unstable O=C(c1c[nH]nc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587276333 FD Annotated Bother O=C(c1n[nH]cc1[N+](=O)[O-])c1c(CO)oc2cc(Br)cnc12 ZINC000587276672 FD Annotated Bother C[C@]1(Cn2[nH]nnc2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340547 FD Annotated Anodyne C[C@]1(Cn2[nH]nnc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340555 FD Annotated Anodyne C[C@@]1(Cn2[nH]nnc2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340563 FD Annotated Anodyne C[C@@]1(Cn2[nH]nnc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340567 FD Annotated Anodyne N#C[C@@H]1CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343448 FD Annotated Mild N#C[C@@H]1CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343453 FD Annotated Mild N#C[C@@H]1CNC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343455 FD Annotated Mild N#C[C@@H]1CNC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343457 FD Annotated Mild C[C@]1([C@@H](O)[C@H](O)CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352733 FD Annotated Anodyne C[C@@]1([C@@H](O)[C@H](O)CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352734 FD Annotated Anodyne C[C@@]1([C@@H](O)[C@H](O)CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352735 FD Annotated Anodyne C[C@]1([C@@H](O)[C@H](O)CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352737 FD Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C[C@@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587359517 FD Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C[C@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587359523 FD Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C[C@@H](O)CO)[C@H]1c1ccc(F)cc1 ZINC000587359525 FD Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CO)(C[C@H](O)CO)[C@@H]1c1ccc(F)cc1 ZINC000587359533 FD Annotated Anodyne COC(=O)c1cc(Br)c(-c2ccc3c(O)nc(O)nc3n2)[nH]1 ZINC000587365051 FD Annotated Anodyne Cc1oc2nc(Br)nn2c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587367164 FD Annotated Anodyne O=S(=O)(OC1=Cc2nc3nc(O)nc(O)c3cc2CC1)C(F)(F)F ZINC000587367962 FD Annotated Unstable Cn1ccnc1[C@](O)(Cc1ccc2c(O)nc(O)nc2n1)C(F)(F)F ZINC000587368526 FD Annotated Anodyne Cn1ccnc1[C@@](O)(Cc1ccc2c(O)nc(O)nc2n1)C(F)(F)F ZINC000587368530 FD Annotated Anodyne CC1=C(CCCl)C(=O)N2CCc3cc4c(O)nc(O)nc4nc3[C@@H]2N1 ZINC000587368581 FD Annotated Reactive CC1=C(CCCl)C(=O)N2CCc3cc4c(O)nc(O)nc4nc3[C@H]2N1 ZINC000587368582 FD Annotated Reactive Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1OCC(=O)N(C)C ZINC000587369173 FD Annotated Anodyne Cn1cc(I)c(-c2ccc3c(O)nc(O)nc3n2)n1 ZINC000587369482 FD Annotated Anodyne CCOC(=O)C(=NOCc1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587369990 FD Annotated Mild CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)c1nc3nc(O)nc(O)c3cc12 ZINC000587370049 FD Annotated Unstable Cn1ncc(I)c1-c1ccc2c(O)nc(O)nc2n1 ZINC000587370511 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC(COC(=O)CCl)=CC1=O)O2 ZINC000587372485 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC(COC(=O)CCl)=CC1=O)O2 ZINC000587372488 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(COC(=O)CCl)OCC1=O)O2 ZINC000587372949 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(COC(=O)CCl)OCC1=O)O2 ZINC000587372951 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]1Cl ZINC000587382854 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]1Cl ZINC000587382868 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]1Cl ZINC000587382871 FD Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]1Cl ZINC000587382873 FD Annotated Reactive CCOC(=O)[C@@H](F)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383835 FD Annotated Anodyne CCOC(=O)[C@@H](F)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383836 FD Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383837 FD Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587383838 FD Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387076 FD Annotated Mild CCOC(=O)[C@@H](C#N)[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387077 FD Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387214 FD Annotated Mild CCOC(=O)[C@@H](C#N)[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387215 FD Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnc(O)c3C(N)=O)O2 ZINC000587388341 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnc(O)c3C(N)=O)O2 ZINC000587388342 FD Annotated Anodyne CC(=O)Nc1ccc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388362 FD Annotated Anodyne CC(=O)Nc1ccc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587388367 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389404 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389408 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389616 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccnn2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587389618 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nc(O)c(C(N)=O)cc31)O2 ZINC000587389749 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(O)c(C(N)=O)cc31)O2 ZINC000587389750 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390871 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587390885 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](N)C(=O)O)(c1ccccc1N)O2 ZINC000587391385 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](N)C(=O)O)(c1ccccc1N)O2 ZINC000587391386 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](N)C(=O)O)(c1ccccc1N)O2 ZINC000587391387 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](N)C(=O)O)(c1ccccc1N)O2 ZINC000587391388 FD Annotated Anodyne CCn1cc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587391433 FD Annotated Anodyne CCn1cc([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587391442 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1cnn(C)c1)O2 ZINC000587391457 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1cnn(C)c1)O2 ZINC000587391461 FD Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587391504 FD Annotated Anodyne COC(=O)c1n[nH]c(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587391512 FD Annotated Anodyne CCn1cc([C@@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587391611 FD Annotated Anodyne CCn1cc([C@]2(CN3CCOCC3)CC(=O)c3cc(C)cc(N)c3O2)cn1 ZINC000587391614 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391702 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391704 FD Annotated Anodyne CCn1nccc1[C@@]1(CC(=O)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391979 FD Annotated Anodyne CCn1nccc1[C@]1(CC(=O)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391981 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)O2 ZINC000587391997 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)O2 ZINC000587392000 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](N)C(=O)O)(c1cccc(O)c1N)O2 ZINC000587392001 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](N)C(=O)O)(c1cccc(O)c1N)O2 ZINC000587392004 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392193 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587392194 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCOCC1)(c1cn(C)nc1C)O2 ZINC000587392332 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCOCC1)(c1cn(C)nc1C)O2 ZINC000587392338 FD Annotated Anodyne CCn1ccc([C@@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392881 FD Annotated Anodyne CCn1ccc([C@]2(CC(=O)C(=O)OC)CC(=O)c3cc(C)cc(N)c3O2)n1 ZINC000587392883 FD Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394132 FD Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587394136 FD Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394970 FD Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587394971 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395605 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587395606 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC=Cn3c1ncc(C(=O)O)c3=O)O2 ZINC000587396093 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3c1ncc(C(=O)O)c3=O)O2 ZINC000587396094 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396285 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396286 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396293 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587396294 FD Annotated Anodyne CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396863 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396866 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396867 FD Annotated Anodyne CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587396868 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(C)CC3)nc1)O2 ZINC000587397898 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(C)CC3)nc1)O2 ZINC000587397899 FD Annotated Anodyne COc1ccc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398163 FD Annotated Anodyne COc1ccc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587398165 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COC(CN3CCOCC3)=CC1=O)O2 ZINC000587398991 FD Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(COC(CN3CCOCC3)=CC1=O)O2 ZINC000587399004 FD Annotated Mild COC(=O)c1cc([C@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587400157 FD Annotated Anodyne COC(=O)c1cc([C@@]2(C(O)O)CC(=O)c3cc(C)cc(N)c3O2)ccc1O ZINC000587400163 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(CN3CCOCC3)OCC1=O)O2 ZINC000587401079 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(CN3CCOCC3)OCC1=O)O2 ZINC000587401082 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(=O)O)c2ccccc21 ZINC000587401666 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(=O)O)c2ccccc21 ZINC000587401667 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CC(N)=O)c2ccccc21 ZINC000587402069 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CC(N)=O)c2ccccc21 ZINC000587402070 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCN(CCN3CCOCC3)CC1)O2 ZINC000587402119 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(S(=O)(=O)N(C)C)cn1)O2 ZINC000587407694 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(S(=O)(=O)N(C)C)cn1)O2 ZINC000587407695 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1S(=O)(=O)N(C)C)O2 ZINC000587408092 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1S(=O)(=O)N(C)C)O2 ZINC000587408093 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CNS(C)(=O)=O)(c1ccccc1)O2 ZINC000587408380 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CNS(C)(=O)=O)(c1ccccc1)O2 ZINC000587408382 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3ccc(S(N)(=O)=O)cc31)O2 ZINC000587408413 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3ccc(S(N)(=O)=O)cc31)O2 ZINC000587408416 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@H]3CCS(=O)(=O)C3)c1)O2 ZINC000587408806 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@H]3CCS(=O)(=O)C3)c1)O2 ZINC000587408814 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn([C@@H]3CCS(=O)(=O)C3)c1)O2 ZINC000587408815 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn([C@@H]3CCS(=O)(=O)C3)c1)O2 ZINC000587408817 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CO)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409964 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CO)(c1ccc(S(C)(=O)=O)cc1)O2 ZINC000587409966 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2ccc(S(N)(=O)=O)cc21 ZINC000587410093 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2ccc(S(N)(=O)=O)cc21 ZINC000587410097 FD Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410213 FD Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410220 FD Annotated Anodyne CCOC(=O)[C@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410222 FD Annotated Anodyne CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587410225 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CS(N)(=O)=O)(c1ccccc1N)O2 ZINC000587410647 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CS(N)(=O)=O)(c1ccccc1N)O2 ZINC000587410648 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1S(=O)(=O)N(C)C)O2 ZINC000587411054 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1S(=O)(=O)N(C)C)O2 ZINC000587411057 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CNS(=O)(=O)c3ccsc31)O2 ZINC000587411174 FD Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CNS(=O)(=O)c3ccsc31)O2 ZINC000587411190 FD Annotated Anodyne COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419145 FD Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419146 FD Annotated Reactive COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419149 FD Annotated Reactive COC(=O)C(=O)[C@@H](Cl)[C@]1(C2CC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419152 FD Annotated Reactive CCOC(=O)C(=O)[C@@H](Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419753 FD Annotated Reactive CCOC(=O)C(=O)[C@@H](Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419754 FD Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419755 FD Annotated Reactive CCOC(=O)C(=O)[C@H](Cl)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587419756 FD Annotated Reactive CCOC(=O)C(=O)C[C@@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420359 FD Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420361 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](Cl)C(=O)C(=O)[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420688 FD Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420698 FD Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]1Cl)[C@@H](C2)C3=O ZINC000587420701 FD Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]1Cl)[C@@H](C2)C3=O ZINC000587420704 FD Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)[C@@H](C2)C3=O ZINC000587421985 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)[C@@H](C2)C3=O ZINC000587421997 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H]1NC(=O)C=C(C(F)(F)F)N1)[C@@H](C2)C3=O ZINC000587421999 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H]1NC(=O)C=C(C(F)(F)F)N1)[C@@H](C2)C3=O ZINC000587422007 FD Annotated Anodyne CCOC(=O)[C@H](F)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424404 FD Annotated Anodyne CCOC(=O)[C@@H](F)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424413 FD Annotated Anodyne CCOC(=O)[C@H](F)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424416 FD Annotated Anodyne CCOC(=O)[C@@H](F)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587424419 FD Annotated Anodyne CCOC(=O)CNc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426770 FD Annotated Anodyne CCOC(=O)CNc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 ZINC000587426777 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4nc(O)c(C(N)=O)cc41)[C@@H](C2)C3=O ZINC000587426885 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4nc(O)c(C(N)=O)cc41)[C@@H](C2)C3=O ZINC000587426886 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(N(C)C)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587428233 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(N(C)C)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587428235 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](O)NC(C)=O)[C@@H](C2)C3=O ZINC000587428566 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](O)NC(C)=O)[C@@H](C2)C3=O ZINC000587428567 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](O)NC(C)=O)[C@@H](C2)C3=O ZINC000587428568 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](O)NC(C)=O)[C@@H](C2)C3=O ZINC000587428569 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCc4c(c(C(=O)O)nn4C)C1)[C@@H](C2)C3=O ZINC000587429718 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCc4c(c(C(=O)O)nn4C)C1)[C@@H](C2)C3=O ZINC000587429727 FD Annotated Anodyne CCOC(=O)[C@H](C#N)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430261 FD Annotated Mild CCOC(=O)[C@H](C#N)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430269 FD Annotated Mild CCOC(=O)[C@@H](C#N)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430271 FD Annotated Mild CCOC(=O)[C@@H](C#N)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430275 FD Annotated Mild CCOC(=O)[C@]1(/C(C#N)=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430631 FD Annotated Reactive CCOC(=O)[C@@]1(/C(C#N)=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430634 FD Annotated Reactive CCOC(=O)[C@@]1(/C(C#N)=C\N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430635 FD Annotated Reactive CCOC(=O)[C@]1(/C(C#N)=C/N(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430636 FD Annotated Reactive COC(=O)C(=O)C[C@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430889 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cnn(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430891 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N(C)CC(=O)O)nc1)[C@@H](C2)C3=O ZINC000587431039 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N(C)CC(=O)O)nc1)[C@@H](C2)C3=O ZINC000587431041 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(CCO)CCO)cc1)[C@@H](C2)C3=O ZINC000587431069 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(CCO)CCO)cc1)[C@@H](C2)C3=O ZINC000587431072 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(-[n+]4cc(=O)o[nH]4)cc1)[C@@H](C2)C3=O ZINC000587431605 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(-[n+]4cc(=O)o[nH]4)cc1)[C@@H](C2)C3=O ZINC000587431611 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CN1CCOCC1)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587431616 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CN1CCOCC1)(c1cnn(C)c1)[C@@H](C2)C3=O ZINC000587431618 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431660 FD Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431664 FD Annotated Mild COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431665 FD Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4ccccc4OC(=O)[C@H]1[N+](=O)[O-])[C@@H](C2)C3=O ZINC000587431666 FD Annotated Mild COC(=O)C(=O)C[C@]1(c2ccnn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431669 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccnn2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587431670 FD Annotated Anodyne COc1cc2c3c(c1)OC(c1nccn1C)(c1nccn1C)[C@@H](C2)C3=O ZINC000587431941 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432084 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccn(C)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587432086 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cc(C(N)=O)c(O)nc1C)[C@@H](C2)C3=O ZINC000587432480 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cc(C(N)=O)c(O)nc1C)[C@@H](C2)C3=O ZINC000587432486 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(NC(C)=O)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587432833 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(NC(C)=O)cc1)(C(O)O)[C@@H](C2)C3=O ZINC000587432838 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](N)C(=O)O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433285 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](N)C(=O)O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433286 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](N)C(=O)O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433287 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](N)C(=O)O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587433288 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)[C@@H](C2)C3=O ZINC000587433307 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@]1(CC(N)=O)C(=O)O)[C@@H](C2)C3=O ZINC000587433308 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCC[C@@]1(CC(N)=O)C(=O)O)[C@@H](C2)C3=O ZINC000587433309 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCC[C@]1(CC(N)=O)C(=O)O)[C@@H](C2)C3=O ZINC000587433310 FD Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433703 FD Annotated Anodyne CCOC(=O)CCCC(=O)NC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587433704 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1cnc(O)c4C(N)=O)[C@@H](C2)C3=O ZINC000587433978 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CCCc4c1cnc(O)c4C(N)=O)[C@@H](C2)C3=O ZINC000587433979 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587434548 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587434549 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N([C@H](C)C(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587434550 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N([C@@H](C)C(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587434551 FD Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587434906 FD Annotated Anodyne CCOC(=O)c1cn(C[C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587434916 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435102 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(C)on2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435103 FD Annotated Anodyne COC(=O)[C@@H](C)[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435439 FD Annotated Anodyne COC(=O)[C@H](C)[C@@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435440 FD Annotated Anodyne COC(=O)[C@@H](C)[C@@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435441 FD Annotated Anodyne COC(=O)[C@H](C)[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587435442 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc4c(C(N)=O)cnn4c1)[C@@H](C2)C3=O ZINC000587435489 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc4c(C(N)=O)cnn4c1)[C@@H](C2)C3=O ZINC000587435493 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)N(CC(N)=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436043 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)N(CC(N)=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587436044 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436179 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436180 FD Annotated Anodyne CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436587 FD Annotated Anodyne CCOC(=O)[C@@]1(c2cnc(OC)nc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436588 FD Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436718 FD Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccncc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587436719 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC(=O)N4CCCC4=C1C(=O)O)[C@@H](C2)C3=O ZINC000587436745 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC(=O)N4CCCC4=C1C(=O)O)[C@@H](C2)C3=O ZINC000587436746 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC=Cn4c1ncc(C(=O)O)c4=O)[C@@H](C2)C3=O ZINC000587437071 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC=Cn4c1ncc(C(=O)O)c4=O)[C@@H](C2)C3=O ZINC000587437076 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(C)N(CCC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587437445 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(C)N(CCC(=O)O)C(=O)C1)[C@@H](C2)C3=O ZINC000587437446 FD Annotated Anodyne COc1cc2c3c(c1)OC1([C@@H](C2)C3=O)C2(C)CN3CCN(C2)CC1(C)C3 ZINC000587437492 FD Annotated Anodyne CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438111 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438121 FD Annotated Anodyne CCOC(=O)[C@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438124 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438127 FD Annotated Anodyne CCC12CN3CCN(CC(C3)[C@@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)C2 ZINC000587438148 FD Annotated Anodyne CCC12CN3CCN(CC(C3)[C@]13Oc1cc(OC)cc4c1C(=O)[C@H]3C4)C2 ZINC000587438151 FD Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(C(=O)c4cnccn4)CC1)[C@@H](C2)C3=O ZINC000587438291 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587438450 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4ccc(C(=O)O)cc41)[C@@H](C2)C3=O ZINC000587438458 FD Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438691 FD Annotated Anodyne COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587438694 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439021 FD Annotated Anodyne CCOC(=O)[C@@H]1CN(CC)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439024 FD Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439026 FD Annotated Anodyne CCOC(=O)[C@H]1CN(CC)C(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587439029 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587439629 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4cc(C(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587439632 FD Annotated Anodyne CCOC(=O)Cn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587439810 FD Annotated Anodyne CCOC(=O)Cn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nn1 ZINC000587439812 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(CC(=O)ON1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587440365 FD Annotated Mild COc1cc2c3c(c1)O[C@@](C)(CC(=O)ON1C(=O)CCC1=O)[C@@H](C2)C3=O ZINC000587440367 FD Annotated Mild COC(=O)C[C@@]1(C(C)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440539 FD Annotated Anodyne COC(=O)C[C@]1(C(C)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440556 FD Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440946 FD Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587440949 FD Annotated Anodyne COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440952 FD Annotated Anodyne COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440958 FD Annotated Anodyne COC(=O)[C@H]1CC2(C[C@@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440960 FD Annotated Anodyne COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440961 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587440993 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCOCC4)nc1)[C@@H](C2)C3=O ZINC000587440994 FD Annotated Anodyne CCOC(=O)[C@@H](C)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441558 FD Annotated Anodyne CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441559 FD Annotated Anodyne CCOC(=O)[C@@H](C)[C@@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441561 FD Annotated Anodyne CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441564 FD Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441779 FD Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441781 FD Annotated Anodyne CCOC(=O)C[C@H](C(=O)OCC)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441783 FD Annotated Anodyne CCOC(=O)C[C@@H](C(=O)OCC)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441785 FD Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441826 FD Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441827 FD Annotated Anodyne COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441830 FD Annotated Anodyne COC(=O)CC[C@@H](C(=O)OC)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441833 FD Annotated Anodyne COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442316 FD Annotated Anodyne COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587442318 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)Nc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587442815 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)Nc4c(C(=O)O)cccc41)[C@@H](C2)C3=O ZINC000587442819 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(COC(CN4CCCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587443138 FD Annotated Mild COc1cc2c3c(c1)O[C@@]1(COC(CN4CCCC4)=CC1=O)[C@@H](C2)C3=O ZINC000587443144 FD Annotated Mild CCOC(=O)C1=CN(C)C(=O)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443244 FD Annotated Anodyne CCOC(=O)C1=CN(C)C(=O)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443250 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(C)CC4)nc1)[C@@H](C2)C3=O ZINC000587443259 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(C)CC4)nc1)[C@@H](C2)C3=O ZINC000587443260 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C=C(CN4CCCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587444302 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C=C(CN4CCCC4)OCC1=O)[C@@H](C2)C3=O ZINC000587444308 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c(OC)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587444929 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(OC)c(OC)c1)(C(O)O)[C@@H](C2)C3=O ZINC000587444933 FD Annotated Anodyne COc1cc2c3c(c1)OC1(CCN(CCN4CCOCC4)CC1)[C@@H](C2)C3=O ZINC000587445288 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nccn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587447494 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nccn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587447497 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccnc1)[C@@H](C2)C3=O ZINC000587447720 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccnc1)[C@@H](C2)C3=O ZINC000587447721 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](CCCNS(=O)(=O)C1CC1)[C@@H](C2)C3=O ZINC000587447756 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](CCCNS(=O)(=O)C1CC1)[C@@H](C2)C3=O ZINC000587447757 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccn1)[C@@H](C2)C3=O ZINC000587447881 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1ccccn1)[C@@H](C2)C3=O ZINC000587447882 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@H](C2)C3=O ZINC000587448233 FD Annotated Clean COc1cc2c3c(c1)O[C@@](Cc1ccc(O)c(O)c1)(C(=O)O)[C@@H](C2)C3=O ZINC000587448234 FD Annotated Clean COc1cc2c3c(c1)O[C@@H](c1cn(S(=O)(=O)N(C)C)cn1)[C@@H](C2)C3=O ZINC000587448715 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(S(=O)(=O)N(C)C)cn1)[C@@H](C2)C3=O ZINC000587448717 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(N)(=O)=O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587449031 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(N)(=O)=O)(c1ccccc1N)[C@@H](C2)C3=O ZINC000587449312 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CO)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449722 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CO)(c1ccc(S(C)(=O)=O)cc1)[C@@H](C2)C3=O ZINC000587449731 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn([C@@H]4CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587449759 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn([C@@H]4CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587449760 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cnn([C@H]4CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587449761 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cnn([C@H]4CCS(=O)(=O)C4)c1)[C@@H](C2)C3=O ZINC000587449766 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@H]1O)[C@@H](C2)C3=O ZINC000587449947 FD Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@@H]1O)[C@@H](C2)C3=O ZINC000587449956 FD Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@@H]1O)[C@@H](C2)C3=O ZINC000587449957 FD Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@H]1O)[C@@H](C2)C3=O ZINC000587449960 FD Annotated Clean COc1cc2c3c(c1)O[C@@H](c1ccnn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587450938 FD Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccnn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O ZINC000587450939 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CNS(=O)(=O)c4ccsc41)[C@@H](C2)C3=O ZINC000587451016 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CNS(=O)(=O)c4ccsc41)[C@@H](C2)C3=O ZINC000587451017 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1[C@@H](C(=O)O)[C@@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587451181 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1[C@H](C(=O)O)[C@@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587451182 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1[C@H](C(=O)O)[C@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587451183 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4C[C@H]1[C@@H](C(=O)O)[C@H]4C(=O)O)[C@@H](C2)C3=O ZINC000587451184 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CNS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451472 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CNS(C)(=O)=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587451473 FD Annotated Anodyne CCOC(=O)[C@@]1(c2csc(N)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451496 FD Annotated Anodyne CCOC(=O)[C@]1(c2csc(N)n2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451503 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc4c(c1)OCO4)(C(O)O)[C@@H](C2)C3=O ZINC000587451536 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)OCO4)(C(O)O)[C@@H](C2)C3=O ZINC000587451540 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@](CS(=O)(=O)N(C)C)(C(C)C)[C@@H](C2)C3=O ZINC000587451547 FD Annotated Anodyne COc1cc2c3c(c1)O[C@](CS(=O)(=O)N(C)C)(C(C)C)[C@@H](C2)C3=O ZINC000587451576 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](O)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587451879 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](O)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587451882 FD Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](O)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587451884 FD Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](O)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587451886 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CC(=O)OC)nn1)CC2=O ZINC000587474632 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)OC)nn1)CC2=O ZINC000587474634 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N1CCNC(=O)C1)CC2=O ZINC000587475157 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N1CCNC(=O)C1)CC2=O ZINC000587475160 FD Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(CC(=O)NCC#N)CC1)CC2=O ZINC000587478536 FD Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=O)[C@@H](O)CN3C)CC2=O ZINC000587479954 FD Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=O)[C@@H](O)CN3C)CC2=O ZINC000587479972 FD Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=O)[C@H](O)CN3C)CC2=O ZINC000587479975 FD Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=O)[C@H](O)CN3C)CC2=O ZINC000587479978 FD Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)NCC[C@@H]1C(=O)OCC ZINC000587480541 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)NCC[C@H]1C(=O)OCC ZINC000587480543 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)NCC[C@H]1C(=O)OCC ZINC000587480544 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)NCC[C@@H]1C(=O)OCC ZINC000587480546 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)CC2=O ZINC000587485085 FD Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](O)[C@H]1OC(C)(C)O[C@H]1CO)CC2=O ZINC000587485102 FD Annotated Anodyne CN1C[C@H](O)C2=CC(=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587511938 FD Annotated Mild CN1C[C@@H](O)C2=CC(=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587511939 FD Annotated Mild CN1C[C@H](O)C2=CC(=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587511940 FD Annotated Mild CN1C[C@@H](O)C2=CC(=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587511941 FD Annotated Mild C[C@@]1(CC(=O)N2CCNC(=O)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515820 FD Annotated Anodyne C[C@]1(CC(=O)N2CCNC(=O)C2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515821 FD Annotated Anodyne N[C@@H](CN1C=CC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)C(=O)O ZINC000587517224 FD Annotated Mild N[C@@H](CN1C=CC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)C(=O)O ZINC000587517225 FD Annotated Mild N[C@@H](CN1C=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1)C(=O)O ZINC000587517924 FD Annotated Anodyne N[C@@H](CN1C=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1)C(=O)O ZINC000587517925 FD Annotated Anodyne CCOC(=O)[C@H]1CCNC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523052 FD Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523070 FD Annotated Anodyne CCOC(=O)[C@H]1CCNC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523073 FD Annotated Anodyne CCOC(=O)[C@@H]1CCNC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523074 FD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C1)N2 ZINC000587523095 FD Annotated Anodyne COC(=O)[C@@]12COC[C@@H](C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C1)N2 ZINC000587523098 FD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587532454 FD Annotated Anodyne CC1(C)O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587532456 FD Annotated Anodyne COc1ccc(OC)c(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)c1 ZINC000587552625 FD Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]1c1ccc2c(O)nc(O)nc2n1 ZINC000587552626 FD Annotated Clean O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]1c1ccc2c(O)nc(O)nc2n1 ZINC000587552627 FD Annotated Clean O=[N+]([O-])c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1N1CCOCC1 ZINC000587552653 FD Annotated Bother COc1ccc(NN=C(C(C)=O)c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587552993 FD Annotated Mild CC(=O)Nc1ccc(O)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 ZINC000587553371 FD Annotated Anodyne CC(=O)Nc1cc(O)c(-c2ccc3c(O)nc(O)nc3n2)cc1[N+](=O)[O-] ZINC000587554161 FD Annotated Bother COC(=O)c1c(CC(=O)O)[nH]c(-c2ccc3c(O)nc(O)nc3n2)c1C ZINC000587554227 FD Annotated Anodyne COC(=O)c1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587554530 FD Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)NC1C2CC3CC(C2)CC1C3 ZINC000587554673 FD Annotated Anodyne COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587554675 FD Annotated Bother COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1ccc2c(O)nc(O)nc2n1 ZINC000587554676 FD Annotated Bother Oc1nc(O)c2ccc(Cc3nc(-c4ccc5c(c4)OCO5)no3)nc2n1 ZINC000587554792 FD Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)Nc1ccc2nc(O)[nH]c2c1 ZINC000587554941 FD Annotated Anodyne O=C(O)c1c[nH]c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2c1=O ZINC000587555053 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000587555054 FD Annotated Bother O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000587555057 FD Annotated Bother C[C@H](NC(=O)OC(C)(C)C)c1nc2nc(O)nc(O)c2cc1CCCO ZINC000587555068 FD Annotated Anodyne CCOC(=O)[C@@]1(c2ccncc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587555071 FD Annotated Anodyne COc1ccccc1NC(=O)[C@H](N=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587555072 FD Annotated Anodyne CCOC(=O)[C@]1(c2ccncc2)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587555073 FD Annotated Anodyne COc1ccccc1NC(=O)[C@@H](N=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587555077 FD Annotated Anodyne O=C(O)CCC(=O)Nc1ccccc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587555086 FD Annotated Anodyne COC(=O)C(=NNc1ccccc1OC)c1ccc2c(O)nc(O)nc2n1 ZINC000587555266 FD Annotated Mild CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587555628 FD Annotated Anodyne CCOC(=O)c1cc2c(nc1O)CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587555879 FD Annotated Anodyne O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c[nH]1)N1CCC[C@H](CO)C1 ZINC000587556143 FD Annotated Anodyne O=C(c1cc(-c2ccc3c(O)nc(O)nc3n2)c[nH]1)N1CCC[C@@H](CO)C1 ZINC000587556162 FD Annotated Anodyne O=C(O)c1c[nH]c2cc(-c3ccc4c(O)nc(O)nc4n3)ccc2c1=O ZINC000587556248 FD Annotated Anodyne CC(C)(C)OC(=O)N1Cc2nc3nc(O)nc(O)c3cc2C[C@H]1C(=O)O ZINC000587556342 FD Annotated Anodyne CC(C)(C)OC(=O)N1Cc2nc3nc(O)nc(O)c3cc2C[C@@H]1C(=O)O ZINC000587556349 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCc1ccc2c(O)nc(O)nc2n1 ZINC000587556394 FD Annotated Anodyne COc1cc(Cc2ccc3c(O)nc(O)nc3n2)c([N+](=O)[O-])cc1OC ZINC000587556639 FD Annotated Bother O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000587556669 FD Annotated Anodyne Oc1nc(O)c2ccc(-c3ccc(O)c(CN4CCOCC4)c3)nc2n1 ZINC000587556701 FD Annotated Clean COC(=O)[C@@H]1c2ccc(OC)nc2Cc2cc3c(O)nc(O)nc3nc21 ZINC000587556734 FD Annotated Anodyne COC(=O)[C@H]1c2ccc(OC)nc2Cc2cc3c(O)nc(O)nc3nc21 ZINC000587556735 FD Annotated Anodyne O=C(Cc1ccc2c(O)nc(O)nc2n1)OCc1ccc([N+](=O)[O-])cc1 ZINC000587556780 FD Annotated Bother CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)-c2nc3nc(O)nc(O)c3cc21 ZINC000587557290 FD Annotated Anodyne CCOC(=O)[C@H]1Cc2c(nc(C)n2C)-c2nc3nc(O)nc(O)c3cc21 ZINC000587557291 FD Annotated Anodyne CCOC(=O)Cn1c(C)cc2c1CCc1cc3c(O)nc(O)nc3nc1-2 ZINC000587557544 FD Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1CCCN1C(=O)c2ccccc2C1=O ZINC000587557562 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587557628 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587557630 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587557890 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1[C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1 ZINC000587557892 FD Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@H]1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587557902 FD Annotated Anodyne CC(C)(C)OC(=O)N1CCOC[C@@H]1Cc1ccc2c(O)nc(O)nc2n1 ZINC000587557907 FD Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CN1CCOCC1 ZINC000587557928 FD Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C[C@@H]1C(=O)O ZINC000587557940 FD Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@@H]2C[C@H]1C(=O)O ZINC000587557941 FD Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@H]2C[C@H]1C(=O)O ZINC000587557942 FD Annotated Anodyne COC(=O)N1C[C@@H]2CCc3nc4nc(O)nc(O)c4cc3[C@H]2C[C@@H]1C(=O)O ZINC000587557943 FD Annotated Anodyne CCN1C(=O)[C@H](c2ccc3c(O)nc(O)nc3n2)C(=O)c2ccccc21 ZINC000587557954 FD Annotated Anodyne CCN1C(=O)[C@@H](c2ccc3c(O)nc(O)nc3n2)C(=O)c2ccccc21 ZINC000587557957 FD Annotated Anodyne OCCN1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)CC1 ZINC000587557974 FD Annotated Anodyne Nc1ccc(N2CCC(O)CC2)cc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587558307 FD Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@@H]2Cc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587558390 FD Annotated Anodyne CC(C)(C)OC(=O)N1CC(O[C@H]2Cc3cc4c(O)nc(O)nc4nc32)C1 ZINC000587558394 FD Annotated Anodyne O=C(O)C1=C[C@H](c2ccc3c(O)nc(O)nc3n2)N(c2ccccc2)N1 ZINC000587558420 FD Annotated Anodyne O=C(O)C1=C[C@@H](c2ccc3c(O)nc(O)nc3n2)N(c2ccccc2)N1 ZINC000587558439 FD Annotated Anodyne COc1ccc(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)cc1OC ZINC000587558610 FD Annotated Anodyne COc1ccc(OC)c(-c2nc3nc(O)nc(O)c3cc2CC(=O)O)c1 ZINC000587558615 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccccc2)[C@H]1n1cncn1 ZINC000587558801 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccccc2)[C@H]1n1cncn1 ZINC000587558802 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccccc2)[C@@H]1n1cncn1 ZINC000587558803 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccccc2)[C@@H]1n1cncn1 ZINC000587558805 FD Annotated Anodyne CCCN1C(=O)[C@](O)(Cc2ccc3c(O)nc(O)nc3n2)c2ccccc21 ZINC000587558832 FD Annotated Anodyne CCCN1C(=O)[C@@](O)(Cc2ccc3c(O)nc(O)nc3n2)c2ccccc21 ZINC000587558836 FD Annotated Anodyne O=C(O)[C@H]1CC(=O)N(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)C1 ZINC000587558870 FD Annotated Anodyne O=C(O)[C@@H]1CC(=O)N(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)C1 ZINC000587558874 FD Annotated Anodyne Cc1nc2nc(O)nc(O)c2cc1CCN1C(=O)c2ccccc2C1=O ZINC000587559462 FD Annotated Anodyne COc1cc(CC(=O)O)c(-c2ccc3c(O)nc(O)nc3n2)cc1OC ZINC000587559725 FD Annotated Anodyne CCOC(=O)[C@H](OC(=O)c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559913 FD Annotated Anodyne CCOC(=O)[C@@H](OC(=O)c1ccccc1)c1ccc2c(O)nc(O)nc2n1 ZINC000587559914 FD Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3nc(O)nc(O)c3cc21 ZINC000587560009 FD Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3nc(O)nc(O)c3cc21 ZINC000587560010 FD Annotated Anodyne CCOC(=O)[C@H]1CC(=O)[C@@H](C(=O)C2CC2)c2nc3nc(O)nc(O)c3cc21 ZINC000587560011 FD Annotated Anodyne CCOC(=O)[C@@H]1CC(=O)[C@H](C(=O)C2CC2)c2nc3nc(O)nc(O)c3cc21 ZINC000587560012 FD Annotated Anodyne COc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1OCCC(=O)O ZINC000587560060 FD Annotated Anodyne CCOC(=O)C1(C(=O)OCC)CCc2nc3nc(O)nc(O)c3cc2C1 ZINC000587560224 FD Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587560762 FD Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1CCC(=O)c1ccccc1 ZINC000587561056 FD Annotated Anodyne O=C(O)CCc1nc2nc(O)nc(O)c2cc1CC(=O)c1ccccc1 ZINC000587561929 FD Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)OCCCO2 ZINC000587562443 FD Annotated Anodyne NS(=O)(=O)c1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1Cl ZINC000587562504 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@H](c2ccc3c(c2)OCO3)C1 ZINC000587562725 FD Annotated Anodyne O=C1Cc2nc3nc(O)nc(O)c3cc2[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000587562727 FD Annotated Anodyne Cc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000587562818 FD Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@](O)(c1ccc2c(c1)OCO2)C3 ZINC000587562822 FD Annotated Anodyne Oc1nc(O)c2cc3c(nc2n1)CC[C@@](O)(c1ccc2c(c1)OCO2)C3 ZINC000587562823 FD Annotated Anodyne C=CCNS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587562881 FD Annotated Mild C[C@H]1CN(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)S(=O)(=O)C1 ZINC000587562903 FD Annotated Anodyne C[C@@H]1CN(c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)S(=O)(=O)C1 ZINC000587562904 FD Annotated Anodyne O=S1(=O)CCCN1c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587562973 FD Annotated Anodyne C=CCNS(=O)(=O)c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 ZINC000587562993 FD Annotated Mild O=C(O)CCc1nc2nc(O)nc(O)c2cc1CC(=O)c1cccs1 ZINC000587563077 FD Annotated Anodyne O=C(O)COCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587563184 FD Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1-c1ccc2c(c1)OCCO2 ZINC000587563416 FD Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3nc(O)nc(O)c3cc12 ZINC000587563425 FD Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)c1nc3nc(O)nc(O)c3cc12 ZINC000587563426 FD Annotated Anodyne CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)O)c1nc3nc(O)nc(O)c3cc12 ZINC000587563427 FD Annotated Anodyne COCC(=O)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587563605 FD Annotated Anodyne O=S1(=O)CCCN1c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 ZINC000587563712 FD Annotated Anodyne COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CS(C)(=O)=O ZINC000587564018 FD Annotated Anodyne O=C(O)CCNC(=O)Cc1cc2c(O)nc(O)nc2nc1-c1cccs1 ZINC000587564090 FD Annotated Anodyne O=C(O)Cc1cc2c(O)nc(O)nc2nc1CCC(=O)c1cccs1 ZINC000587564306 FD Annotated Anodyne Cc1nc(NCCCC(=O)O)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587564819 FD Annotated Anodyne Cc1nc(NC[C@H]2CCCO2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587564896 FD Annotated Anodyne Cc1nc(NC[C@@H]2CCCO2)sc1-c1ccc2c(O)nc(O)nc2n1 ZINC000587564898 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587566249 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2nc(Cl)c[nH]c-2n1 ZINC000587566489 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cnc(Cl)[nH]c-2n1 ZINC000587566516 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(Cl)ncnc2[nH]1 ZINC000587566557 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587567111 FD Annotated Mild CCOC(=O)CCOCCCOCCc1nc2cc(N)c(N)cc2[nH]1 ZINC000587567129 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587567181 FD Annotated Bother CCOC(=O)CCOCCCOCCc1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587567335 FD Annotated Bother CCOC(=O)CCOCCCOCCc1nc2ccnc(OC)c2[nH]1 ZINC000587568017 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cncc(OC)c2[nH]1 ZINC000587569228 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2c(O)nc(S)nc2[nH]1 ZINC000587569332 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc(OC)nc2[nH]1 ZINC000587569569 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(OC)ncc2[nH]1 ZINC000587570412 FD Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cccc(C(N)=O)c2[nH]1 ZINC000587571073 FD Annotated Anodyne C/N=C(\C#N)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574181 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574182 FD Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574183 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574184 FD Annotated Mild C[C@@]1(CC(=O)NCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574287 FD Annotated Anodyne C[C@@]1(CC(=O)NCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574291 FD Annotated Anodyne C[C@]1(CC(=O)NCC(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574292 FD Annotated Anodyne C[C@]1(CC(=O)NCC(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574293 FD Annotated Anodyne C[C@@]1(CC[C@H](N)C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574941 FD Annotated Anodyne C[C@]1(CC[C@H](N)C(N)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574942 FD Annotated Anodyne C[C@@]1(CC[C@H](N)C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574943 FD Annotated Anodyne C[C@]1(CC[C@H](N)C(N)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574944 FD Annotated Anodyne N=c1[nH]cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587576295 FD Annotated Anodyne N=c1[nH]cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587576296 FD Annotated Anodyne N=c1[nH]cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587576297 FD Annotated Anodyne N=c1[nH]cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(=N)[nH]1 ZINC000587576298 FD Annotated Anodyne Nc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578771 FD Annotated Anodyne Nc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578775 FD Annotated Anodyne Nc1nc(O)nc(O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578777 FD Annotated Anodyne Nc1nc(O)nc(O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578778 FD Annotated Anodyne O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587579599 FD Annotated Anodyne O=C(O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587579609 FD Annotated Anodyne O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1 ZINC000587579610 FD Annotated Anodyne O=C(O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1 ZINC000587579612 FD Annotated Anodyne C[C@]1(Cn2[nH]nnc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580375 FD Annotated Anodyne C[C@@]1(Cn2[nH]nnc2=N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580377 FD Annotated Anodyne C[C@@]1(Cn2[nH]nnc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580379 FD Annotated Anodyne C[C@]1(Cn2[nH]nnc2=N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580381 FD Annotated Anodyne CN1CC(=O)[C@@]2(C=C1CN)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581989 FD Annotated Anodyne CN1CC(=O)[C@]2(C=C1CN)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581992 FD Annotated Anodyne CN1CC(=O)[C@]2(C=C1CN)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581994 FD Annotated Anodyne CN1CC(=O)[C@@]2(C=C1CN)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581996 FD Annotated Anodyne CN1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C=C1CN ZINC000587583614 FD Annotated Mild CN1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C=C1CN ZINC000587583615 FD Annotated Mild CN1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C=C1CN ZINC000587583618 FD Annotated Mild CN1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C=C1CN ZINC000587583619 FD Annotated Mild NC[C@]1(c2nc[nH]c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590705 FD Annotated Anodyne NC[C@@]1(c2nc[nH]c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590710 FD Annotated Anodyne NC[C@@]1(c2nc[nH]c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590712 FD Annotated Anodyne NC[C@]1(c2nc[nH]c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590715 FD Annotated Anodyne O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591056 FD Annotated Anodyne O=C(O)[C@@H]1CC[C@]2(CN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591059 FD Annotated Anodyne O=C(O)[C@@H]1CC[C@@]2(CN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591062 FD Annotated Anodyne O=C(O)[C@@H]1CC[C@]2(CN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591065 FD Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591847 FD Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587591849 FD Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591852 FD Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587591855 FD Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594003 FD Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587594007 FD Annotated Anodyne COC(=O)[C@@H]1CNCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594009 FD Annotated Anodyne COC(=O)[C@@H]1CNCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587594010 FD Annotated Anodyne CN1CCN(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596078 FD Annotated Anodyne CN1CCN(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596093 FD Annotated Anodyne CN1CCN(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596104 FD Annotated Anodyne CN1CCN(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596107 FD Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]21 ZINC000587596311 FD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1CN[C@@H](C(=O)O)[C@H]12 ZINC000587596312 FD Annotated Anodyne O=C(O)[C@@H]1NC[C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]21 ZINC000587596313 FD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1CN[C@@H](C(=O)O)[C@@H]12 ZINC000587596314 FD Annotated Anodyne O=C(O)C1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617065 FD Annotated Mild O=C(O)C1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587617066 FD Annotated Mild O=C(O)C1=CC(=O)[C@@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617067 FD Annotated Mild O=C(O)C1=CC(=O)[C@]2(CO1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587617068 FD Annotated Mild O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587617975 FD Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587617976 FD Annotated Anodyne O=C(O)C1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587617977 FD Annotated Anodyne O=C(O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)CO1 ZINC000587617978 FD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OCC2=O ZINC000587618531 FD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OCC2=O ZINC000587618532 FD Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OCC2=O ZINC000587618533 FD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OCC2=O ZINC000587618534 FD Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COC(CO)=CC2=O ZINC000587619022 FD Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COC(CO)=CC2=O ZINC000587619024 FD Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COC(CO)=CC2=O ZINC000587619025 FD Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COC(CO)=CC2=O ZINC000587619027 FD Annotated Mild COC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619403 FD Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587619406 FD Annotated Anodyne COC(=O)[C@@H]1COC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619407 FD Annotated Anodyne COC(=O)[C@@H]1COC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587619409 FD Annotated Anodyne [N-]=[N+]=Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@H](N)C(=O)O ZINC000587623226 FD Annotated Clean Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCC(=O)O ZINC000587623611 FD Annotated Anodyne COC(=O)c1nnn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC ZINC000587639382 FD Annotated Anodyne COC(=O)C(=O)c1c(-c2ccn(C)n2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650362 FD Annotated Anodyne CN(C)S(=O)(=O)c1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650504 FD Annotated Anodyne COC(=O)C(=O)c1c(-c2cnn(C)c2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650619 FD Annotated Anodyne Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)ON1C(=O)CCC1=O ZINC000587650784 FD Annotated Mild COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccn(C)n1 ZINC000587650818 FD Annotated Anodyne COC(=O)C(=O)c1c(-c2cc(C)on2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650849 FD Annotated Anodyne Cn1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2N2CCOCC2)cn1 ZINC000587651442 FD Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1-c1ncc(F)c(N2CCOCC2)n1 ZINC000587651542 FD Annotated Anodyne COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccnn1C ZINC000587651755 FD Annotated Anodyne COC(=O)C(=O)c1c(-c2ccnn2C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587651769 FD Annotated Anodyne COc1ccc(NC(=O)C(=O)n2ncc3ccc(Cl)cc3c2=O)cn1 ZINC000587651837 FD Annotated Anodyne COc1nn(CC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] ZINC000587652312 FD Annotated Bother O=C(c1ccc(-n2cnnn2)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652793 FD Annotated Anodyne O=C(c1cccc(-n2cnnn2)c1)n1ncc2ccc(Cl)cc2c1=O ZINC000587652918 FD Annotated Anodyne Nc1nc(-c2ccccn2)nc(-n2ncc3ccc(Cl)cc3c2=O)n1 ZINC000587653198 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653478 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@H]1C(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653491 FD Annotated Anodyne O=C(c1ccn(Cn2cccn2)n1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653512 FD Annotated Anodyne CC1(C)NC(=O)N(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)C1=O ZINC000587653545 FD Annotated Anodyne CS(=O)(=O)N1CCC(C(=O)n2ncc3ccc(Cl)cc3c2=O)CC1 ZINC000587653651 FD Annotated Anodyne NNC(=O)CCSCCC(=O)n1ncc2ccc(Cl)cc2c1=O ZINC000587653654 FD Annotated Reactive O=C(CSc1nnc(O)nc1O)n1ncc2ccc(Cl)cc2c1=O ZINC000587654090 FD Annotated Anodyne O=C(c1ccc(N2CCOCC2)nc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655135 FD Annotated Anodyne O=c1c2cc(Cl)ccc2cnn1C(=S)NCCN1CCOCC1 ZINC000587655151 FD Annotated Anodyne C=C1C=C(C)N2N=C(C(=O)n3ncc4ccc(Cl)cc4c3=O)NC2=N1 ZINC000587655175 FD Annotated Anodyne NS(=O)(=O)c1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 ZINC000587655230 FD Annotated Anodyne NNC(=O)CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655924 FD Annotated Reactive NNC(=O)CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656802 FD Annotated Reactive O=C(Cn1cnnn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657027 FD Annotated Anodyne NS(=O)(=O)CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657658 FD Annotated Anodyne Nn1c(S)nnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657714 FD Annotated Anodyne NNC(=O)CCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658087 FD Annotated Reactive NC(=O)CNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658441 FD Annotated Anodyne Nc1ncn(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 ZINC000587660459 FD Annotated Anodyne O=C(Cn1cnnn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660619 FD Annotated Anodyne Nn1c(S)nnc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660918 FD Annotated Anodyne NC(=O)CNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660925 FD Annotated Anodyne CNC(=O)CNC(=S)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662067 FD Annotated Anodyne CS(=O)(=O)CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662175 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587742527 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587742528 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587742529 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587742530 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587742577 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587742583 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587742585 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587742587 FD Annotated Anodyne C/N=C(\C#N)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742920 FD Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742926 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742928 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742929 FD Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743163 FD Annotated Mild C/N=C(\C#N)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743164 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743165 FD Annotated Mild C/N=C(/C#N)[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743166 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587745912 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587745915 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587745921 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC[C@H](N)C(N)=O)N1 ZINC000587745924 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587748245 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587748246 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587748248 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c(=N)[nH]c2=N)N1 ZINC000587748249 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)nc(O)nc2O)N1 ZINC000587748443 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)nc(O)nc2O)N1 ZINC000587748479 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N)nc(O)nc2O)N1 ZINC000587748481 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N)nc(O)nc2O)N1 ZINC000587748482 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)nc(O)nc2O)N1 ZINC000587748837 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)nc(O)nc2O)N1 ZINC000587748839 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N)nc(O)nc2O)N1 ZINC000587748841 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N)nc(O)nc2O)N1 ZINC000587748842 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587749230 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587749231 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587749232 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587749233 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587750105 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587750106 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587750108 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)NNC=C2[N+](=O)[O-] ZINC000587750109 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754114 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754115 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754116 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754118 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754438 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754442 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754445 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)NCC(=O)O)N1 ZINC000587754448 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587759596 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587759597 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587759598 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587759599 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587759600 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587759601 FD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587759602 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587759603 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2[nH]nnc2=N)N1 ZINC000587760311 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2[nH]nnc2=N)N1 ZINC000587760325 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2[nH]nnc2=N)N1 ZINC000587760326 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2[nH]nnc2=N)N1 ZINC000587760328 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)nn2)N1 ZINC000587760399 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)O)nn2)N1 ZINC000587760403 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)nn2)N1 ZINC000587760404 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)O)nn2)N1 ZINC000587760406 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587760498 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587760499 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587760500 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C)C(CN)=CC2=O)N1 ZINC000587760501 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)nn2)N1 ZINC000587761507 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)O)nn2)N1 ZINC000587761508 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)nn2)N1 ZINC000587761509 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)O)nn2)N1 ZINC000587761510 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2[nH]nnc2=N)N1 ZINC000587761755 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2[nH]nnc2=N)N1 ZINC000587761756 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2[nH]nnc2=N)N1 ZINC000587761757 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2[nH]nnc2=N)N1 ZINC000587761759 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587763234 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587763235 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587763336 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN)N(C)CC2=O)N1 ZINC000587763337 FD Annotated Anodyne CCOCCOCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587778268 FD Annotated Anodyne O=S(=O)(c1ccc2nc(CCOCC3CC3)[nH]c2c1)N1CCOCC1 ZINC000587783553 FD Annotated Anodyne COc1cc(/C=C/c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(O)c1O ZINC000587785864 FD Annotated Clean COc1cc(/C=C\c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(O)c1O ZINC000587785884 FD Annotated Clean COc1cc(/C=C\c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(O)c1O ZINC000587785899 FD Annotated Clean COc1cc(/C=C/c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(O)c1O ZINC000587785900 FD Annotated Clean CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C=O)NN1 ZINC000587790677 FD Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C=O)NN1 ZINC000587790678 FD Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C=O)NN1 ZINC000587790679 FD Annotated Mild CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C=O)NN1 ZINC000587790680 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2nc[nH]c2N)N1 ZINC000587791756 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2nc[nH]c2N)N1 ZINC000587791766 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2nc[nH]c2N)N1 ZINC000587791767 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2nc[nH]c2N)N1 ZINC000587791769 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2nc[nH]c2N)N1 ZINC000587793177 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2nc[nH]c2N)N1 ZINC000587793179 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2nc[nH]c2N)N1 ZINC000587793180 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2nc[nH]c2N)N1 ZINC000587793183 FD Annotated Anodyne COc1ccc(C=O)c(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)c1OC ZINC000587793812 FD Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C=O)NN1 ZINC000587796672 FD Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C=O)NN1 ZINC000587796673 FD Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C=O)NN1 ZINC000587796674 FD Annotated Mild CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C=O)NN1 ZINC000587796675 FD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587818734 FD Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587818768 FD Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587818770 FD Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587818771 FD Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587822198 FD Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587822200 FD Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587822201 FD Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C(=O)CC2=O)N1 ZINC000587822203 FD Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587832412 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587832425 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587832427 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587832428 FD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587832825 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587832826 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587832827 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587832828 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CO)=CC2=O)N1 ZINC000587833915 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CO)=CC2=O)N1 ZINC000587833916 FD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(CO)=CC2=O)N1 ZINC000587833917 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(CO)=CC2=O)N1 ZINC000587833918 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CO)=CC2=O)N1 ZINC000587834859 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CO)=CC2=O)N1 ZINC000587834860 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(CO)=CC2=O)N1 ZINC000587834861 FD Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(CO)=CC2=O)N1 ZINC000587834864 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OCC2=O)N1 ZINC000587835521 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OCC2=O)N1 ZINC000587835522 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OCC2=O)N1 ZINC000587835523 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OCC2=O)N1 ZINC000587835524 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OCC2=O)N1 ZINC000587835781 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OCC2=O)N1 ZINC000587835783 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OCC2=O)N1 ZINC000587835785 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OCC2=O)N1 ZINC000587835787 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587836031 FD Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587836033 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587836035 FD Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(C(=O)O)=CC2=O)N1 ZINC000587836038 FD Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587837093 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587837094 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587837095 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(C(=O)O)OCC2=O)N1 ZINC000587837096 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CNS(C)(=O)=O)N1 ZINC000587839632 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CNS(C)(=O)=O)N1 ZINC000587839640 FD Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CNS(C)(=O)=O)N1 ZINC000587839641 FD Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CNS(C)(=O)=O)N1 ZINC000587839643 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CNS(C)(=O)=O)N1 ZINC000587843047 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CNS(C)(=O)=O)N1 ZINC000587843049 FD Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CNS(C)(=O)=O)N1 ZINC000587843050 FD Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CNS(C)(=O)=O)N1 ZINC000587843051 FD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCC(=O)NN ZINC000587861869 FD Annotated Reactive COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnc(N)n1 ZINC000587863325 FD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCC(N)=O ZINC000587863546 FD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cnnn1 ZINC000587863639 FD Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1[nH]nnc1=N ZINC000587863661 FD Annotated Anodyne C=C1NN=C(n2nc(-c3ccccc3C(F)(F)F)cc2OC)NC1=O ZINC000587864055 FD Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC(=O)NN ZINC000587865228 FD Annotated Reactive CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C1=NC(=O)C(=O)N1 ZINC000587866294 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCC(=O)NN ZINC000587867353 FD Annotated Reactive COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(N)=O)nn1 ZINC000587868849 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CS(C)(=O)=O ZINC000587869122 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(N)cnn1C ZINC000587869278 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NCC(N)=O ZINC000587869287 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc(N)n1 ZINC000587869308 FD Annotated Anodyne CNC(=O)CNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587869352 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCS(N)(=O)=O ZINC000587869382 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(S)n1N ZINC000587869552 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(C)c1N ZINC000587869580 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCOCC1 ZINC000587869695 FD Annotated Anodyne C=C1NN=C(n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)NC1=O ZINC000587869751 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnnn1 ZINC000587870066 FD Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(=O)n(C)c(O)n1 ZINC000587870103 FD Annotated Anodyne CCN=c1nc(-n2nc(-c3cccc(F)c3)cc2OCC)[nH]c(=NCC)[nH]1 ZINC000587871707 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN(C)S(C)(=O)=O ZINC000587871814 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)NS(C)(=O)=O ZINC000587872310 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)NS(C)(=O)=O ZINC000587872314 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000587872364 FD Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1[nH]cnc1C(=O)NC ZINC000587872612 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cn(C)c(=O)n(C)c1=O ZINC000587873205 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000587873371 FD Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000587873373 FD Annotated Anodyne COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C/C(=O)O ZINC000587874570 FD Annotated Mild COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C\C(=O)O ZINC000587874573 FD Annotated Mild CS(=O)(=O)N1CCC[C@@H]1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875172 FD Annotated Anodyne CS(=O)(=O)N1CCC[C@H]1C(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587875176 FD Annotated Anodyne Cn1c(=O)c2c(-n3nc4cc3oc3ccc(F)cc43)ccnc2n(C)c1=O ZINC000587875750 FD Annotated Anodyne CS(=O)(=O)N1CCO[C@@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587876219 FD Annotated Anodyne CS(=O)(=O)N1CCO[C@H](C(=O)n2nc3cc2oc2ccc(F)cc32)C1 ZINC000587876223 FD Annotated Anodyne O=C(CN1CCS(=O)(=O)CC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876523 FD Annotated Anodyne O=C(CSc1nnc(O)nc1O)n1nc2cc1oc1ccc(F)cc21 ZINC000587876866 FD Annotated Anodyne O=C(Cn1ncn2nccc2c1=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587877071 FD Annotated Anodyne COc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)n1 ZINC000587881143 FD Annotated Mild COc1nc(N)ncc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881537 FD Annotated Mild Nc1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nc1C=O ZINC000587890206 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(C)c1C(=O)N1CCNCC1 ZINC000587902301 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCNCC2)nc1OC ZINC000587903085 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(N2CCN(CCO)CC2)nc1 ZINC000587908143 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(Cn2ccc(C(N)=O)n2)c1 ZINC000587908983 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1cnn(CC(=O)N2CCNCC2)c1 ZINC000587909446 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]nc(C(=O)NN)c1Br ZINC000587912000 FD Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(Br)n[nH]c1C(=O)NN ZINC000587912018 FD Annotated Reactive CCCCn1c(N)c(C#Cc2cc(Cl)ccc2OC)c(=O)n(C)c1=O ZINC000587912036 FD Annotated Mild COc1ccc(Cl)cc1C#CC1=C[C@@H](O)[C@@H](O)[C@@H]2OC(C)(C)O[C@H]12 ZINC000587912652 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1nn(C)c2ncnc(NCCN)c12 ZINC000587913613 FD Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C(F)(F)F)nc(N)n(N)c1=O ZINC000587915718 FD Annotated Mild COC(=O)C(=O)c1nc(N)sc1C#Cc1cc(Cl)ccc1OC ZINC000587920784 FD Annotated Mild COc1ccc(OC)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c1OC ZINC000587925625 FD Annotated Anodyne Nc1cccc(Br)c1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587936353 FD Annotated Anodyne CC1(C)COC(c2cccc(-n3c(O)ccc3OCC[C@H](N)C(=O)O)c2)=N1 ZINC000587936518 FD Annotated Anodyne Nc1c(Br)cccc1-n1c(O)ccc1OCC[C@H](N)C(=O)O ZINC000587936523 FD Annotated Anodyne CC1(C)COC(c2cccc(-n3c4c(c5c3OC(=O)C5)CC(=O)O4)c2)=N1 ZINC000587936657 FD Annotated Anodyne O=C(O)CCc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939077 FD Annotated Anodyne COC(=O)Cc1cc(OC)n(-c2c[nH]cc(Br)c2=O)c1OC ZINC000587939126 FD Annotated Anodyne COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2ccnc(CCl)n2)c1OC ZINC000587939727 FD Annotated Reactive O=C(O)Cc1c(CC(=O)O)c(O)n(-c2ccnc(Br)c2)c1O ZINC000587939787 FD Annotated Anodyne Cc1ncc(-n2c(O)ccc2OCC[C@H](N)C(=O)O)nc1Br ZINC000587939973 FD Annotated Anodyne C=C(C(=O)O)c1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940074 FD Annotated Anodyne O=C(O)C[C@@H](C(=O)O)c1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940186 FD Annotated Anodyne O=C(O)C[C@H](C(=O)O)c1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940189 FD Annotated Anodyne O=C1Cc2c3c(n(NCc4ccccc4Br)c2O1)OC(=O)C3 ZINC000587940513 FD Annotated Anodyne COC(=O)c1cc(OC)n(-c2c[nH]cc(Br)c2=O)c1OC ZINC000587940895 FD Annotated Anodyne COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1ccnc(CCl)n1 ZINC000587941509 FD Annotated Reactive N[C@@H](CCOc1ccc(O)n1-c1ccnc(Br)c1)C(=O)O ZINC000587941520 FD Annotated Anodyne O=C(O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587941786 FD Annotated Anodyne O=C(O)c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587941891 FD Annotated Anodyne Cc1ncc(-n2c3c(c4c2OC(=O)C4)CC(=O)O3)nc1Br ZINC000587941957 FD Annotated Anodyne O=C(O)CCc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944270 FD Annotated Anodyne N[C@@H](CCOc1ccc(O)n1-c1n[nH]c(-c2ccccc2F)n1)C(=O)O ZINC000587945278 FD Annotated Anodyne O=C1Cc2c3c(n(-c4nc(N5CCCCC5)ncc4F)c2O1)OC(=O)C3 ZINC000587945780 FD Annotated Anodyne O=C1Cc2c3c(n(-c4cnc(Cc5ccc(F)cc5)nc4)c2O1)OC(=O)C3 ZINC000587946017 FD Annotated Anodyne O=C(c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587967352 FD Annotated Anodyne Nc1ccc(-c2ccc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3c2)cc1N ZINC000587969889 FD Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1N ZINC000587969893 FD Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3c2)cc1N ZINC000587969894 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O ZINC000587970341 FD Annotated Bother O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587970342 FD Annotated Bother O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O ZINC000587970344 FD Annotated Bother O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587970347 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3ccc(I)cc3[nH]2)[C@@H]1C(=O)O ZINC000587970348 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(I)cc3[nH]2)[C@H]1C(=O)O ZINC000587970349 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cccc(I)c2[nH]1 ZINC000587970351 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(I)c3[nH]2)[C@H]1C(=O)O ZINC000587970353 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3cccc(I)c3[nH]2)[C@@H]1C(=O)O ZINC000587970355 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H]1C(=O)O ZINC000587970393 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H]1C(=O)O ZINC000587970394 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587970395 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587970442 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H]1C(=O)O ZINC000587970443 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H]1C(=O)O ZINC000587970444 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H]1C(=O)O ZINC000587970583 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H]1C(=O)O ZINC000587970584 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587970585 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587970639 FD Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H]1C(=O)O ZINC000587970640 FD Annotated Bother O=C(O)[C@H]1C(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H]1C(=O)O ZINC000587970641 FD Annotated Bother O=C(O)[C@H]1C(c2nc3cc(I)cnc3[nH]2)[C@@H]1C(=O)O ZINC000587970879 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587970882 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(I)cnc3[nH]2)[C@H]1C(=O)O ZINC000587970883 FD Annotated Anodyne O=C(O)[C@H]1C(c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H]1C(=O)O ZINC000587971011 FD Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H]1C(=O)O ZINC000587971012 FD Annotated Anodyne O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587971013 FD Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587971032 FD Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 ZINC000587971033 FD Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 ZINC000587971034 FD Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587971278 FD Annotated Mild N#Cc1cc(Br)c2[nH]c(C3[C@H](C(=O)O)[C@H]3C(=O)O)nc2c1 ZINC000587971279 FD Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)nc2c1 ZINC000587971280 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H]([C@@H](O)[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@H]3O ZINC000059046364 FD Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(CO)C[C@H](O)C[C@@](C)(C=O)[C@H]1[C@@H]3C(=O)O ZINC000059064714 FD Annotated Mild in-vitro CC1=CCC[C@H]2[C@]1(C)C(=O)[C@@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1 ZINC000059066251 FD Annotated Anodyne in-vitro COc1c(O)c2c(c(OC)c1OC)C(=O)c1c(O)c(C)cc(O)c1C2=O ZINC000059066511 FD Annotated Clean in-vitro C=C1[C@@H]2CC(=O)[C@H]3[C@]4(C)CCC[C@](C)(CO)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000059086155 FD Annotated Mild C=C1[C@@H]2C[C@H](O)[C@H]3[C@]4(C)C(=O)CCC(C)(C)[C@H]4C[C@@H](O)[C@@]3([C@@H]1O)[C@@H]2O ZINC000059086157 FD Annotated Mild Cc1[nH]c2ccccc2c1C1=C(C(=O)N2CCOCC2)C(=O)N(C)C1=O ZINC000059086577 FD Annotated Anodyne CCC(=O)CC/C=C/C1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O ZINC000059086767 FD Annotated Mild CCCC[C@H](CN(O)C=O)C(=O)N1COC[C@H]1C(=O)Nc1ccccc1 ZINC000059096527 FD Annotated Anodyne CN(C)CCNC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O ZINC000059097939 FD Annotated Clean O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(OS(=O)(=O)O)cc(O)c21 ZINC000059171094 FD Annotated Anodyne O=C1C[C@H](c2ccc(O)cc2)Oc2cc(OS(=O)(=O)O)cc(O)c21 ZINC000059171096 FD Annotated Anodyne O=c1[nH][nH]c2nc(CNS(=O)(=O)c3ccccc3)nc3cccc1c32 ZINC000059281537 FD Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000059585857 FD Annotated Anodyne in-vitro biogenic C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)CO[C@@H]1O ZINC000059586132 FD Annotated Mild in-vitro biogenic C=C1[C@@H](O)C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C ZINC000059586690 FD Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 ZINC000059587433 FD Annotated Anodyne in-vitro biogenic CN1CC[C@@]23C(=O)C[C@@H]4C(=CCO[C@@H]5CC(=O)N(c6ccccc62)[C@@H]3[C@H]45)C1 ZINC000059587626 FD Annotated Anodyne in-vitro biogenic CC(=O)[C@H]1C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](C)CC[C@H]3O)[C@@H]2[C@H]1C ZINC000059588171 FD Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@]3(C)C(=O)O[C@H]([C@@H]13)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@](O)(CO)C3 ZINC000059588200 FD Annotated Anodyne in-vitro biogenic COC1=CC(=O)C([C@@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)=CC1=O ZINC000059778112 FD Annotated Mild COC1=CC(=O)C([C@H]2CC(=O)c3c(O)c(C)c(OC)c(C)c3O2)=CC1=O ZINC000059778119 FD Annotated Mild CC1=C2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O ZINC000059779152 FD Annotated Anodyne C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(O)[C@@H](O)C[C@@H]3C(C)C)[C@@](C)(O)CC[C@@H]1O ZINC000059779173 FD Annotated Mild C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@](C)(O)[C@@H](O)C[C@@H]3C(C)C)[C@](C)(O)CC[C@@H]1O ZINC000059779174 FD Annotated Mild Cc1ccc(Cn2nnnc2CN2CCC(O)(c3cccnc3)CC2)cc1 ZINC000059826392 FD Annotated Anodyne O[C@@H]1c2ccc3c(c2O[C@@H]2COc4cc5c(cc4[C@]21O)OCO5)OCO3 ZINC000059872612 FD Annotated Anodyne COC(=O)/C=C1\C(=O)C=C2[C@@H]3C[C@H]4C[C@H](CC[C@@]4(C)N21)[C@]3(C)NC(C)=O ZINC000006004444 FD Annotated Mild CS(C)(=O)=Nn1c(=O)n2n(c1=O)C1c3ccccc3C2c2ccccc21 ZINC000006004516 FD Annotated Anodyne O=C(O[C@H]1C=C=CS(=O)(=O)CC#C/C=C\1)c1cnc2ccccc2n1 ZINC000006004657 FD Annotated Mild CS(=O)(=O)N1C[C@@H](CI)c2ccc(O)cc21 ZINC000006006677 FD Annotated Reactive CS(=O)(=O)Nc1ccc(NC[C@@H]2CNCCN2c2ccccc2)cc1 ZINC000006013392 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(OC[C@H]2CN(c3ccccc3)CCN2)cc1 ZINC000006013393 FD Annotated Anodyne COc1ccccc1NC(=O)C(=O)N/N=C(/C)CC(=O)Nc1ccccn1 ZINC000006013789 FD Annotated Reactive COC(=O)/N=c1\[nH]c2ccc(S(=O)(=O)n3nnc4ccccc43)cc2[nH]1 ZINC000006018912 FD Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)C(=O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@@H](O)[C@]1(C(=O)C=O)CO1 ZINC000006031789 FD Annotated Anodyne in-vitro CCOC(=O)C1=C(C)/C(=C2/CSC(N[C@@H](C)COC)=NN2)N=C1C ZINC000006051525 FD Annotated Anodyne CCOC(=O)C1=C(C)/C(=C2/CSC(N[C@H](C)COC)=NN2)N=C1C ZINC000006051527 FD Annotated Anodyne O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccccc1C(=O)O ZINC000006078036 FD Annotated Reactive O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7cc(O)ccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 ZINC000006094141 FD Annotated Anodyne Cc1cc(C)n2c(Br)c(CN3CCC(C(N)=O)CC3)nc2n1 ZINC000006187823 FD Annotated Anodyne Cc1ccc(C2=CSC(NC(=O)CSc3nncn3C)=NN2)cc1 ZINC000006204407 FD Annotated Anodyne CN(C)S(=O)(=O)c1cc(NC(=O)Cn2ccsc2=N)ccc1Cl ZINC000006226499 FD Annotated Anodyne CC1(C)C=Cc2cc3c(cc2O1)O[C@H]1[C@]2(O)C=CC(=O)C=C2OC[C@]31O ZINC000006257490 FD Annotated Mild CC1(C)C=Cc2cc3c(cc2O1)O[C@@H]1[C@@]3(O)COC2=CC(=O)C=C[C@]21O ZINC000006257492 FD Annotated Mild C=C1CSC([C@H](NC(=O)Cc2cccs2)C(=O)O)=N[C@@H]1C(=O)O ZINC000006293333 FD Annotated Mild in-vivo C=C1CSC([C@H](NC(=O)Cc2cccs2)C(=O)O)=N[C@H]1C(=O)O ZINC000006293335 FD Annotated Mild COC(=O)[C@]12CC=C3O[C@@H]4OC5(CCCCC5)O[C@@H]4[C@H]3[C@@H]1C(=O)C=CC2=O ZINC000006385107 FD Annotated Mild CCOC(=O)c1cc(CO)cn1S(=O)(=O)c1cc(Cl)ccc1N ZINC000006403679 FD Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(OCCCO)c(=O)[nH]c1=O ZINC000006424944 FD Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(OCCOC)c(=O)[nH]c1=O ZINC000006424945 FD Annotated Anodyne CN(C)C(=O)C(F)(F)[C@@H](c1ccccc1)C1C(=O)N(C)C(=O)N(C)C1=O ZINC000006437665 FD Annotated Anodyne CO[C@@H]1[C@@H](O)c2coc3c2[C@@](C)(c2ccc4c(c2C3=O)CCC4=O)[C@@H]1O ZINC000006442455 FD Annotated Anodyne COC(=O)C[C@](O)(Cc1ccccc1)C(=O)OC[C@@H]1CCN2CCC[C@H]12 ZINC000006452875 FD Annotated Anodyne COC(=O)C[C@](O)(Cc1ccccc1)C(=O)OC[C@H]1CCN2CCC[C@H]12 ZINC000006452878 FD Annotated Anodyne CN(C)CCCN1CC(=O)N2c3ccccc3N(C)n3cccc3[C@H]2C1=O ZINC000006481585 FD Annotated Anodyne CN(C)CCCN1CC(=O)N2c3ccccc3N(C)n3cccc3[C@@H]2C1=O ZINC000006481594 FD Annotated Anodyne COCOc1cc(OC)c(Br)cc1C/C(=N/O)C(=O)OC ZINC000006483088 FD Annotated Mild C[C@H](NC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O ZINC000006486903 FD Annotated Bother in-vivo C[C@@H]1C[C@H](O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)C(=O)[C@@H](O)[C@H]2[C@]31C ZINC000006488580 FD Annotated Anodyne in-vitro biogenic C=C1C[C@]23CC(=O)[C@H]4[C@]56CCC[C@@]4(C)C(=O)N(CCO)[C@H]5[C@H]2C[C@H]1C(=O)[C@H]36 ZINC000006491287 FD Annotated Mild in-vitro C[C@@H](NC(=O)CCC[P@@](=O)(O)Oc1ccc([N+](=O)[O-])cc1)C(=O)O ZINC000006491491 FD Annotated Bother in-vitro Cc1[nH]n(CCC#N)c(=O)c1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000006498350 FD Annotated Mild CCOC(=O)c1cnc2n(c1=N)NC(=N)/C2=N\Nc1cccc(Cl)c1 ZINC000061695577 FD Annotated Mild CCOC(=O)C1=C(C)/C(=C(\C)NNC(=O)Cn2nc(C)cc2C)N=C1C ZINC000061695592 FD Annotated Reactive Cc1cccc(C(=O)N2CC[C@@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c1C ZINC000061895570 FD Annotated Anodyne Cc1cccc(C(=O)N2CC[C@](C)(C(=O)NS(=O)(=O)C3CC3)C2)c1C ZINC000061895571 FD Annotated Anodyne O=C(NCc1cccc(F)c1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061895734 FD Annotated Anodyne O=C(NCc1ccc(F)cc1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061895993 FD Annotated Anodyne CC(=O)NCCNC(=O)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061895994 FD Annotated Anodyne CC(=O)NCCNC(=O)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 ZINC000061895995 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061896080 FD Annotated Mild CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000061896081 FD Annotated Mild O=C(NCc1ccc(Cl)nc1)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061896141 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccncc2)C1 ZINC000061896169 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccncc2)C1 ZINC000061896170 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccco1 ZINC000061896316 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1ccco1 ZINC000061896317 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061896387 FD Annotated Anodyne COCCNC(=O)[C@]1(C)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1 ZINC000061896389 FD Annotated Anodyne Cc1ccc(CNC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061896434 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2cccnc2SC)C1 ZINC000061896447 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2cccnc2SC)C1 ZINC000061896450 FD Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061896703 FD Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061896704 FD Annotated Anodyne Cc1c(C(=O)NCCC#N)sc(=O)n1Cc1ccc(C(=O)N(C)C)cc1 ZINC000061896769 FD Annotated Mild COc1ccc(-c2cc(N3CCN(CCO)CC3)n3nccc3n2)cc1 ZINC000061896791 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CC1 ZINC000061896858 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)CC1CC1 ZINC000061896859 FD Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061896973 FD Annotated Anodyne Cc1ccsc1C(=O)N1CCC[C@](C)(C(=O)NS(=O)(=O)C2CC2)C1 ZINC000061896974 FD Annotated Anodyne O=C(NCc1ccccc1Cl)c1csc([C@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061897050 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000061897445 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 ZINC000061897446 FD Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1ccccc1Cl ZINC000061897874 FD Annotated Anodyne CN(C)c1ncnc2c1ncn2[C@H]1CN(Cc2cccs2)C[C@@H](CO)O1 ZINC000061898418 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061902322 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000061902323 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1CC1 ZINC000061902426 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C1CC1 ZINC000061902427 FD Annotated Anodyne CCc1nc2ccc(C(=O)NCCN(C)C)cn2c1N(CC)CCOC ZINC000061902699 FD Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@H](C(=O)NCCN(C)C)O3)c1 ZINC000061902737 FD Annotated Anodyne CC(=O)Nc1cccc(-c2ccnc3c2C[C@@H](C(=O)NCCN(C)C)O3)c1 ZINC000061902738 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(F)ccc2C)C1 ZINC000061902931 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(F)ccc2C)C1 ZINC000061902932 FD Annotated Anodyne Cc1ccc(CNC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061902945 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061903253 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061903254 FD Annotated Anodyne O=C(NCc1ccccc1Cl)c1csc([C@@H]2C[C@H](O)[C@@H](CO)O2)n1 ZINC000061903262 FD Annotated Anodyne O=C(NCc1ccccc1F)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061903329 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000061903342 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000061903343 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000061903475 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000061903476 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061903689 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000061903690 FD Annotated Anodyne O=C(NCc1ccccc1F)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061903923 FD Annotated Anodyne CC(=O)NCCNc1nc2cc(-c3ccccc3CO)sc2c(=O)n1C ZINC000061903992 FD Annotated Anodyne COc1cc(C(=O)N2CC[C@@]2(C)C(=O)NC(C)C)cc(OC)c1OC ZINC000061904065 FD Annotated Anodyne COc1cc(C(=O)N2CC[C@]2(C)C(=O)NC(C)C)cc(OC)c1OC ZINC000061904066 FD Annotated Anodyne CC(=O)Oc1ccccc1Cn1c(C)c(C(=O)NCCC#N)sc1=O ZINC000061904133 FD Annotated Mild CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061904190 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000061904191 FD Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccc(F)cc1F ZINC000061904203 FD Annotated Anodyne O=C(NCc1cccc(F)c1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061904262 FD Annotated Anodyne COc1ccccc1NC(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061904559 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1ccco1 ZINC000061904825 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1ccco1 ZINC000061904826 FD Annotated Anodyne CCNC(=O)[C@]1(C)CCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000061904843 FD Annotated Anodyne CCNC(=O)[C@@]1(C)CCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000061904844 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2c(C)noc2C)C1 ZINC000061904923 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2c(C)noc2C)C1 ZINC000061904924 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)on2)C1 ZINC000061904945 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)on2)C1 ZINC000061904946 FD Annotated Anodyne CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)N3CCNC(=O)C3)cn12 ZINC000061905249 FD Annotated Anodyne CCOc1cccc(-c2cc(N3CCN(CCO)CC3)n3nccc3n2)c1 ZINC000061905711 FD Annotated Anodyne Cc1cccc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)c1 ZINC000061905751 FD Annotated Anodyne COCCC(=O)N1CCOC[C@@H]1c1cc(C(=O)NCc2ccccc2)no1 ZINC000061905849 FD Annotated Anodyne COCCC(=O)N1CCOC[C@H]1c1cc(C(=O)NCc2ccccc2)no1 ZINC000061905850 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC000061906108 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)CC1 ZINC000061906109 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CC1 ZINC000061906120 FD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)CC1CC1 ZINC000061906121 FD Annotated Mild C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CC1 ZINC000061906147 FD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)CC1CC1 ZINC000061906148 FD Annotated Mild O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1cccc(Cl)c1 ZINC000061906185 FD Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061906205 FD Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)C2CC2)on1 ZINC000061906397 FD Annotated Anodyne O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)C2CC2)on1 ZINC000061906398 FD Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1F ZINC000061906457 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061906768 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 ZINC000061906769 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1ccccc1 ZINC000061907131 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)c1ccccc1 ZINC000061907132 FD Annotated Anodyne O=C(NCc1ccccc1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061907157 FD Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1F ZINC000061907196 FD Annotated Anodyne O=C(Nc1cccc(F)c1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061907215 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000061907406 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2)C1 ZINC000061907407 FD Annotated Anodyne O=C(NCCc1cccs1)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061907563 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061907598 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(Cc2noc(-c3c(C)noc3C)n2)C1 ZINC000061907599 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cccs2)C1 ZINC000061907842 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cccs2)C1 ZINC000061907843 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061907877 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)nn2C(C)(C)C)C1 ZINC000061907879 FD Annotated Anodyne CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCN(C)C)cn12 ZINC000061907946 FD Annotated Anodyne Cc1ccc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061908128 FD Annotated Anodyne COCCNC(=O)[C@H]1Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061908230 FD Annotated Anodyne COCCNC(=O)[C@@H]1Cc2c(-c3ccc(NC(C)=O)cc3)ccnc2O1 ZINC000061908231 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2sccc2C)C1 ZINC000061908291 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2sccc2C)C1 ZINC000061908292 FD Annotated Anodyne COCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1 ZINC000061908450 FD Annotated Anodyne COCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C)nn2C(C)(C)C)CC1 ZINC000061908451 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2F)C1 ZINC000061908659 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2F)C1 ZINC000061908660 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2)C1 ZINC000061908672 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2)C1 ZINC000061908673 FD Annotated Anodyne OCCN1CCN(c2cc(-c3ccc(CO)cc3)nc3ccnn23)CC1 ZINC000061908856 FD Annotated Anodyne Cc1ccccc1NC(=O)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061908991 FD Annotated Anodyne COc1ccc(NC(=O)Nc2nnc([C@@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061908996 FD Annotated Anodyne CC[C@H]1NC(=O)c2cccnc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921393 FD Annotated Anodyne CC[C@@H]1NC(=O)c2cccnc2-n2c1nc1cc(OC)c(OC)cc1c2=O ZINC000061921394 FD Annotated Anodyne CSc1ncnc2c1ncn2CCCN1CCN(C(=O)C2CC2)CC1 ZINC000061922460 FD Annotated Anodyne CSc1ncnc2c1ncn2CCCN1CCN(c2ncccn2)CC1 ZINC000061922469 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2F)C1 ZINC000061925622 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2ccccc2F)C1 ZINC000061925623 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000061925911 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(F)c(C)c2)C1 ZINC000061925912 FD Annotated Anodyne O=C(NCc1ccc(F)cc1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061926233 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000061926431 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000061926432 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)c2cc(C)oc2C)C1 ZINC000061926591 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)oc2C)C1 ZINC000061926592 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccco1 ZINC000061926626 FD Annotated Mild C[C@@]1(C(=O)NS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)c1ccco1 ZINC000061926627 FD Annotated Mild O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccc(F)cc1F ZINC000061926742 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2nc(C)oc2C)C1 ZINC000061926932 FD Annotated Anodyne CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2nc(C)oc2C)C1 ZINC000061926934 FD Annotated Anodyne COc1ccccc1NC(=O)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061927122 FD Annotated Anodyne Cc1cccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)c1 ZINC000061927164 FD Annotated Anodyne COCCNC(=O)[C@H]1Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 ZINC000061927286 FD Annotated Anodyne COCCNC(=O)[C@@H]1Cc2c(-c3cccc(NC(C)=O)c3)ccnc2O1 ZINC000061927287 FD Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061927745 FD Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061927755 FD Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1 ZINC000061927943 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061928110 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1 ZINC000061928112 FD Annotated Anodyne C[C@H]1ON=C(c2ccccn2)N(Cc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000061928149 FD Annotated Anodyne C[C@@H]1ON=C(c2ccccn2)N(Cc2ccc(S(C)(=O)=O)cc2)C1=O ZINC000061928150 FD Annotated Anodyne COCCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061928355 FD Annotated Anodyne COCCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(C(=O)OC)cc2)C1 ZINC000061928357 FD Annotated Anodyne O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)c1cccc(Cl)c1 ZINC000061928776 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccccc1 ZINC000061928928 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)c1ccccc1 ZINC000061928929 FD Annotated Anodyne CCN(CC)C(=O)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 ZINC000061929102 FD Annotated Anodyne O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)c1c(F)cccc1F ZINC000061929141 FD Annotated Anodyne COc1ccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061929208 FD Annotated Anodyne CCc1nc2ccc(C(=O)N3CCNC(=O)C3)cn2c1N(C)CCC(C)C ZINC000061929217 FD Annotated Anodyne C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccs2)C1 ZINC000061929535 FD Annotated Anodyne C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccs2)C1 ZINC000061929536 FD Annotated Anodyne Cc1ccc(NC(=O)Nc2nnc([C@H]3C[C@H](O)[C@@H](CO)O3)s2)cc1 ZINC000061930294 FD Annotated Anodyne CCc1nc2ccc(C(=O)N3CCC[C@H](C(N)=O)C3)cn2c1N(C=O)CC ZINC000061930607 FD Annotated Anodyne CCc1nc2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cn2c1N(C=O)CC ZINC000061930609 FD Annotated Anodyne COc1ncccc1-c1cc2nc(NCCNC(C)=O)n(C)c(=O)c2s1 ZINC000061930842 FD Annotated Anodyne CCCNC(=O)[C@]1(C)CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000061930939 FD Annotated Anodyne CCCNC(=O)[C@@]1(C)CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000061930940 FD Annotated Anodyne COc1ccccc1CNCCS(=O)(=O)NCc1ccccc1OC ZINC000061931109 FD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)CN(C)C(=O)[C@@]12C ZINC000061931336 FD Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCOCC5)ccc4CCN3C(=O)[C@@H]12 ZINC000061942584 FD Annotated Anodyne C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(N5CCN(C)CC5)ccc4CCN3C(=O)[C@@H]12 ZINC000061943134 FD Annotated Anodyne CC(C)(C)S(=O)(=O)N1Cc2cc(CO)cc(CCO)c2[C@@H]1CCO ZINC000061943326 FD Annotated Anodyne CC(C)(C)S(=O)(=O)N1Cc2cc(CO)cc(CCO)c2[C@H]1CCO ZINC000061943341 FD Annotated Anodyne N#Cc1ccccc1S(=O)(=O)N1CCNS(=O)(=O)c2ccccc21 ZINC000061944855 FD Annotated Mild COCCCNC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21 ZINC000061947321 FD Annotated Anodyne CSc1nc(N)nc2c1ncn2CC(=O)NCc1ccc2[nH]ccc2c1 ZINC000061947349 FD Annotated Anodyne CSc1nc(N)nc2c1ncn2CC(=O)NCCCc1ccccc1 ZINC000061947352 FD Annotated Anodyne CC(C)(C)[C@H]1COC(=O)CCC/C=C/C[C@H](CC(=O)NCCO)C(=O)N1 ZINC000061948457 FD Annotated Anodyne CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)[C@@H](C)NC(=O)[C@@]12C ZINC000061948821 FD Annotated Anodyne O=C(Nc1ccon1)c1[nH]cnc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000061949438 FD Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958762 FD Annotated Anodyne CCOC(=O)C1=CNS(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000061958764 FD Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000061959503 FD Annotated Anodyne COc1ccc(CN2C(=O)[C@H](C)Nc3ncnc(N4CCOCC4)c32)cc1 ZINC000061959505 FD Annotated Anodyne O=C(C[C@@H]1C(=O)NCCN1Cc1ccccn1)NCCc1ccccc1F ZINC000061969784 FD Annotated Anodyne O=C(C[C@H]1C(=O)NCCN1Cc1ccccn1)NCCc1ccccc1F ZINC000061969785 FD Annotated Anodyne O=C(NCc1ccco1)[C@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000618005479 FD Annotated Anodyne O=C(NCc1ccco1)[C@@H]1[C@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000618005480 FD Annotated Anodyne O=C(NCc1ccco1)[C@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000618005481 FD Annotated Anodyne O=C(NCc1ccco1)[C@@H]1[C@@H]2C(=O)N(Cc3cccs3)C[C@@]23C=C[C@H]1O3 ZINC000618005482 FD Annotated Anodyne COc1ccc(S(=O)(=O)NCCSSCCN)cc1OC ZINC000618007568 FD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccnc1C ZINC000618007682 FD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1c(C)noc1C ZINC000618007996 FD Annotated Reactive CN(C)CCSSCCCNC(=O)CNC(=O)c1ccccc1 ZINC000618008123 FD Annotated Reactive CN(C)CCSSCCNC(=O)CNC(=O)c1ccccc1O ZINC000618008175 FD Annotated Reactive COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccnc1OC ZINC000618008315 FD Annotated Reactive CN(C)CCSSCCNC(=O)Cn1ncc2ccccc2c1=O ZINC000618010555 FD Annotated Reactive CC[C@H](C)N1CN[C@H]2[C@H](C1)C(=O)NC(=O)N2Cc1ccccc1Cl ZINC000618011931 FD Annotated Anodyne CC[C@H](C)N1CN[C@H]2[C@@H](C1)C(=O)NC(=O)N2Cc1ccccc1Cl ZINC000618011959 FD Annotated Anodyne CC[C@H](C)N1CN[C@@H]2[C@H](C1)C(=O)NC(=O)N2Cc1ccccc1Cl ZINC000618011960 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccccc1 ZINC000618012549 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccccc1 ZINC000618012550 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccccc1 ZINC000618012551 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccccc1 ZINC000618012552 FD Annotated Anodyne N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC(=O)NN3)s2)cc1 ZINC000618012740 FD Annotated Mild N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC(=O)NN3)s2)cc1 ZINC000618012744 FD Annotated Mild C[C@H]([C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1)n1nc(C(=O)O)c2ccccc2c1=O ZINC000618013001 FD Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1)n1nc(C(=O)O)c2ccccc2c1=O ZINC000618013024 FD Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1)n1nc(C(=O)O)c2ccccc2c1=O ZINC000618013025 FD Annotated Anodyne C[C@H]([C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1)n1nc(C(=O)O)c2ccccc2c1=O ZINC000618013026 FD Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccn2)[C@@H]2CCCC[C@H]2N1 ZINC000618013088 FD Annotated Anodyne O=C1C[C@H](C(=O)Nc2ccnn2Cc2ccccn2)[C@@H]2CCCC[C@@H]2N1 ZINC000618013090 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@@H]1C)c1ccccn1 ZINC000618013113 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C)c1ccccn1 ZINC000618013114 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@@H](c2ccccn2)N[C@H]1C)c1ccccn1 ZINC000618013115 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C)c1ccccn1 ZINC000618013116 FD Annotated Anodyne CC(=O)Nc1cc(NC(=O)c2cnn([C@H]3CCC(=O)NN3)c2C)ccc1C ZINC000618013165 FD Annotated Anodyne CC(=O)Nc1cc(NC(=O)c2cnn([C@@H]3CCC(=O)NN3)c2C)ccc1C ZINC000618013166 FD Annotated Anodyne Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1NNC(=O)[C@@H]2CCCC[C@@H]21 ZINC000618013274 FD Annotated Anodyne Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1NNC(=O)[C@@H]2CCCC[C@H]21 ZINC000618013284 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccccn1 ZINC000618013333 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 ZINC000618013335 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N(C)Cc1ccccn1 ZINC000618013336 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N(C)Cc1ccccn1 ZINC000618013337 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCC#Cc1ccccc1 ZINC000618013385 FD Annotated Mild C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCC#Cc1ccccc1 ZINC000618013387 FD Annotated Mild O=C(N[C@@H]1CC[C@H]2NCNC(=O)[C@H]2C1)c1ccc(F)cc1OC(F)F ZINC000618013520 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H]2NCNC(=O)[C@@H]2C1)c1ccc(F)cc1OC(F)F ZINC000618013526 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H]2NCNC(=O)[C@H]2C1)c1ccc(F)cc1OC(F)F ZINC000618013527 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H]2NCNC(=O)[C@@H]2C1)c1ccc(F)cc1OC(F)F ZINC000618013528 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)N1CCc2ccccc2C1 ZINC000618013529 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)N1CCc2ccccc2C1 ZINC000618013530 FD Annotated Anodyne O=C(NC[C@@H]1C[C@@H]2CCC[C@H]2NC1=O)c1cn(Cc2ccccc2)nn1 ZINC000618013592 FD Annotated Anodyne O=C(NC[C@@H]1C[C@@H]2CCC[C@@H]2NC1=O)c1cn(Cc2ccccc2)nn1 ZINC000618013593 FD Annotated Anodyne O=C(NC[C@@H]1C[C@H]2CCC[C@H]2NC1=O)c1cn(Cc2ccccc2)nn1 ZINC000618013594 FD Annotated Anodyne O=C(NC[C@@H]1C[C@H]2CCC[C@@H]2NC1=O)c1cn(Cc2ccccc2)nn1 ZINC000618013595 FD Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2CCS[C@@H]2N1 ZINC000618014153 FD Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1NC(=O)[C@@H]2CCS[C@H]2N1 ZINC000618014156 FD Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1NC(=O)[C@H]2CCS[C@H]2N1 ZINC000618014157 FD Annotated Anodyne C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C[C@@H]1NC(=O)[C@H]2CCS[C@@H]2N1 ZINC000618014158 FD Annotated Anodyne CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1NC(=O)[C@H]2CCCC[C@H]2N1 ZINC000618014174 FD Annotated Anodyne CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@@H]2N1 ZINC000618014183 FD Annotated Anodyne CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1NC(=O)[C@H]2CCCC[C@@H]2N1 ZINC000618014184 FD Annotated Anodyne CN(CC(=O)N(C)C1CCCCC1)C[C@@H]1NC(=O)[C@@H]2CCCC[C@H]2N1 ZINC000618014185 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)c1 ZINC000618014231 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)c1 ZINC000618014232 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)c1 ZINC000618014233 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)c1 ZINC000618014234 FD Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ncccn3)N[C@H]2C)c1 ZINC000618014308 FD Annotated Anodyne Cc1cc(C)cc(NC(=O)C[C@@H]2C(=O)N[C@H](c3ncccn3)N[C@@H]2C)c1 ZINC000618014309 FD Annotated Anodyne CCN(Cc1ccco1)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@H]1C ZINC000618014349 FD Annotated Anodyne CCN(Cc1ccco1)C(=O)C[C@@H]1C(=O)N[C@H](c2ccccn2)N[C@@H]1C ZINC000618014350 FD Annotated Anodyne Cc1c(C(=O)NC[C@@H]2C[C@@H]3CCC[C@@H]3NC2=O)cnn1-c1ccccn1 ZINC000618014441 FD Annotated Anodyne Cc1c(C(=O)NC[C@@H]2C[C@H]3CCC[C@H]3NC2=O)cnn1-c1ccccn1 ZINC000618014448 FD Annotated Anodyne Cc1c(C(=O)NC[C@@H]2C[C@@H]3CCC[C@H]3NC2=O)cnn1-c1ccccn1 ZINC000618014449 FD Annotated Anodyne Cc1c(C(=O)NC[C@@H]2C[C@H]3CCC[C@@H]3NC2=O)cnn1-c1ccccn1 ZINC000618014450 FD Annotated Anodyne CCN(C(=O)C[C@@H]1C(=O)N[C@H](c2ncccn2)N[C@H]1C)c1ccccc1 ZINC000618014530 FD Annotated Anodyne CCN(C(=O)C[C@@H]1C(=O)N[C@H](c2ncccn2)N[C@@H]1C)c1ccccc1 ZINC000618014531 FD Annotated Anodyne Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H](c3ccccn3)NC2=O)cn1 ZINC000618014554 FD Annotated Anodyne Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CC[C@@H](c3ccccn3)NC2=O)cn1 ZINC000618014558 FD Annotated Anodyne C[C@@H]1NC(=O)[C@H](C(=O)/N=c2/sccn2Cc2ccccc2F)N[C@H]1C ZINC000618014560 FD Annotated Anodyne C[C@@H]1NC(=O)[C@@H](C(=O)/N=c2/sccn2Cc2ccccc2F)N[C@H]1C ZINC000618014563 FD Annotated Anodyne C[C@@H]1NC(=O)[C@H](C(=O)/N=c2/sccn2Cc2ccccc2F)N[C@@H]1C ZINC000618014564 FD Annotated Anodyne C[C@@H]1NC(=O)[C@@H](C(=O)/N=c2/sccn2Cc2ccccc2F)N[C@@H]1C ZINC000618014565 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@H]2C)n1 ZINC000618014664 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@H](c3ccccn3)N[C@@H]2C)n1 ZINC000618014668 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@@H]2C)n1 ZINC000618014669 FD Annotated Anodyne Cc1cccc(CNC(=O)C[C@@H]2C(=O)N[C@@H](c3ccccn3)N[C@H]2C)n1 ZINC000618014671 FD Annotated Anodyne CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@H]2NC1=O ZINC000618015009 FD Annotated Anodyne CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@H]2NC1=O ZINC000618015011 FD Annotated Anodyne CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O ZINC000618015012 FD Annotated Anodyne CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O ZINC000618015013 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccccc1 ZINC000618015174 FD Annotated Anodyne C[C@@H]1N[C@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccccc1 ZINC000618015175 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCCc1ccccc1 ZINC000618015176 FD Annotated Anodyne C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCCc1ccccc1 ZINC000618015177 FD Annotated Anodyne C[C@@H]1N[C@@H](N2CCCC2)NC(=O)[C@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000618015595 FD Annotated Anodyne C[C@@H]1N[C@@H](N2CCCC2)NC(=O)[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000618015596 FD Annotated Anodyne C[C@@H]1N[C@H](N2CCCC2)NC(=O)[C@@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000618015597 FD Annotated Anodyne C[C@@H]1N[C@H](N2CCCC2)NC(=O)[C@H]1CC(=O)N(Cc1ccccn1)C1CC1 ZINC000618015598 FD Annotated Anodyne C[C@@H]1N[C@@H](SC(F)F)NC(=O)[C@H]1CCC(=O)NCc1ccccn1 ZINC000618015603 FD Annotated Anodyne C[C@@H]1N[C@H](SC(F)F)NC(=O)[C@@H]1CCC(=O)NCc1ccccn1 ZINC000618015604 FD Annotated Anodyne C[C@@H]1N[C@H](SC(F)F)NC(=O)[C@H]1CCC(=O)NCc1ccccn1 ZINC000618015605 FD Annotated Anodyne C[C@@H]1N[C@@H](SC(F)F)NC(=O)[C@@H]1CCC(=O)NCc1ccccn1 ZINC000618015606 FD Annotated Anodyne CN(C)c1ncc(Br)cc1C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000618015812 FD Annotated Anodyne CN(C)c1ncc(Br)cc1C(=O)NC[C@H]1CCCC(=O)N1 ZINC000618015815 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)CC1 ZINC000618016757 FD Annotated Anodyne CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccccc1F ZINC000618016897 FD Annotated Anodyne CN(C[C@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccccc1F ZINC000618016899 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1 ZINC000618016970 FD Annotated Anodyne CN(C)CCSSCCNC(=O)c1ccc2nc(O)n(C)c2c1 ZINC000618017417 FD Annotated Reactive CN(C)CCSSCCNC(=O)c1cnc2c(c1)nc(O)n2C ZINC000618017446 FD Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2[nH]nc(C(N)=O)c2c1 ZINC000618017552 FD Annotated Reactive CN(C)CCSSCCNC(=O)c1ccc2nc(C(N)=O)cn2c1 ZINC000618017778 FD Annotated Reactive C=CS(=O)(=O)N[C@@H]1CCN(C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000618017865 FD Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCN(C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000618017867 FD Annotated Anodyne CN1CCCCN(S(C)(=O)=O)CCOc2ccc(Cl)cc2C1=O ZINC000618018149 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 ZINC000618018361 FD Annotated Anodyne CCS(=O)(=O)N1CCN(C(=O)c2cc(C3CCCCC3)no2)CC1 ZINC000618020180 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000618020229 FD Annotated Clean Cn1cc(CN2CCc3c(nn(CCO)c3O)C2)c(-c2ccccc2)n1 ZINC000618020302 FD Annotated Anodyne CNC(=O)N1CCN(Cc2ccc(Nc3ncc(C#N)s3)nc2)CC1 ZINC000062232902 FD Annotated Mild O=C(O)CN1C(=O)/C(=C/c2ccc(N3CCOCC3)s2)SC1=S ZINC000062233381 FD Annotated Clean C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000062235269 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000062235271 FD Annotated Mild in-man COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)O)[C@H](C)O)c(C)o2)cc1OC ZINC000621429355 FD Annotated Anodyne CN1C(=O)C(Cl)(Cl)c2cc(S(=O)(=O)N=c3cc[nH]cc3)ccc21 ZINC000621430790 FD Annotated Anodyne CCc1ccccc1-n1c(C)cn2c3c(=O)n(CC#N)c(=O)n(C)c3nc12 ZINC000621431770 FD Annotated Mild O=C(CBr)N[C@@H]1CC[C@@H](NC(=O)CBr)CC1 ZINC000621431779 FD Annotated Reactive C[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCC(=O)N2CCN2CCOCC2)CCC[C@H]1C ZINC000621435219 FD Annotated Anodyne C[C@@H]1CCC[C@H](NC(=O)[C@@]2(C)CCC(=O)N2CCN2CCOCC2)[C@@H]1C ZINC000621435220 FD Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@]2(C)CCC(=O)N2CCN2CCOCC2)CCC[C@H]1C ZINC000621435221 FD Annotated Anodyne CCCCOC(=O)[C@]1(C)CC(c2nc(OC)nc(N3CCCC3)n2)=NO1 ZINC000621477829 FD Annotated Anodyne CCCCOC(=O)[C@@]1(C)CC(c2nc(OC)nc(N3CCCC3)n2)=NO1 ZINC000621477830 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2ncc(Br)s2)CC1 ZINC000621478226 FD Annotated Anodyne C=CS(=O)(=O)N1CCN(Cc2nc(Br)cs2)CC1 ZINC000621478511 FD Annotated Anodyne C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)cnc2OC)C1 ZINC000621485617 FD Annotated Anodyne C=CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2F)C1 ZINC000621485800 FD Annotated Anodyne CCOC(=O)Cc1nc2c3cc(Br)ccc3nc(O)n2n1 ZINC000063539179 FD Annotated Anodyne CS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCCO)c1 ZINC000063539267 FD Annotated Anodyne CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(NC(C)=O)cc3n2c1C ZINC000063539697 FD Annotated Bother COc1cccc2c1OCCCN(c1nc3c(c(=O)[nH]1)CCNCC3)C2 ZINC000063856811 FD Annotated Anodyne N#Cc1ccc2c(c1)c(/C=N/NC(=N)N)cn2S(=O)(=O)c1ccccc1 ZINC000064235666 FD Annotated Mild COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C[C@H]2OC[C@@H](N)[C@@H](C)O2)N1 ZINC000064298252 FD Annotated Anodyne C=P(O)(O)[C@H](Nc1c(F)c(F)c(F)c(F)c1F)P(=O)(O)O ZINC000064311412 FD Annotated Unstable CC[C@@H]1CCN(c2c(F)cn3c(=O)n(N)c(=O)c(C4CC4)c3c2OC)C1 ZINC000064393097 FD Annotated Anodyne CC[C@@H]1CCN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)C1 ZINC000064437252 FD Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C[C@H]2OC[C@@H](N)[C@@H](C)O2)N1 ZINC000064442609 FD Annotated Anodyne CC[C@@H]1CN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)CCN1 ZINC000064447422 FD Annotated Anodyne CC[C@H]1CN(c2c(F)cc3c(=O)[nH]c(=O)n(C4CC4)c3c2OC)CCN1 ZINC000064447424 FD Annotated Anodyne Cc1ccc(OP(=O)(NN2CCOCC2)NN2CCOCC2)cc1 ZINC000064453784 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@H]1O[C@@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)C2=O ZINC000064503788 FD Annotated Anodyne CC(C)[C@@]12O[C@@H]1[C@H]1O[C@@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)C2=O ZINC000064503819 FD Annotated Anodyne COc1ccc2nc(C)cc(-n3cc(CN4CCN(C)CC4)nn3)c2c1 ZINC000064510535 FD Annotated Anodyne Cc1nc[nH]c1C(=O)N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccccc1 ZINC000064521242 FD Annotated Reactive Cc1nc[nH]c1C(=O)N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccccc1 ZINC000064521244 FD Annotated Reactive COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H]3CO3)[C@@H]1C2=O ZINC000064521282 FD Annotated Anodyne COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H]3CO3)[C@H]1C2=O ZINC000064521284 FD Annotated Anodyne COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H]3CO3)[C@H]1C2=O ZINC000064521286 FD Annotated Anodyne NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 ZINC000064527415 FD Annotated Anodyne Cn1c2ccccc2c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n21 ZINC000064528184 FD Annotated Anodyne CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(NCCO)c23)C1 ZINC000064539100 FD Annotated Anodyne NC(=O)c1nc(C#Cc2ccccc2C(F)(F)F)n(COCCCO)n1 ZINC000064539919 FD Annotated Mild NC(=O)c1nc(C#Cc2cccc(C(F)(F)F)c2)n(COCCCO)n1 ZINC000064539920 FD Annotated Mild CCCCc1ccc(C#Cc2nc(C(N)=O)nn2COCCCO)cc1 ZINC000064540676 FD Annotated Mild CN(C)CCSc1nncc(-c2cnnc(SCCN(C)C)n2)n1 ZINC000064548977 FD Annotated Anodyne C[C@H]1CC[C@@H]2CCCc3cc(O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)c(O)c1c32 ZINC000064549579 FD Annotated Anodyne OCCOCCN[C@@H]1CC(=S)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C1 ZINC000064549761 FD Annotated Anodyne Cc1c(O)c(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c2c3c1CCC[C@H]3CCC2 ZINC000064549772 FD Annotated Anodyne Cc1c(O)c(O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c2c3c1CCC[C@@H]3CCC2 ZINC000064549773 FD Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)CCC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549942 FD Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)CCC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064549943 FD Annotated Anodyne Cn1c(O)nc2cc(N3CCC[C@@](C)(N)C3)n(Cc3ccccc3)c2c1=O ZINC000064549994 FD Annotated Anodyne C[C@@H]1O[C@@H](Oc2cc3c4c(c2O)[C@H](C)CC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064550077 FD Annotated Anodyne C[C@@H]1O[C@@H](Oc2c(O)cc3c4c2CCC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064559447 FD Annotated Anodyne C[C@@H]1O[C@H](Oc2c(O)cc3c4c2CCC[C@@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064559448 FD Annotated Anodyne C[C@@H]1O[C@@H](Oc2c(O)cc3c4c2CCC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064559449 FD Annotated Anodyne C[C@@H]1O[C@H](Oc2c(O)cc3c4c2CCC[C@H]4CCC3)[C@@H](O)[C@H](O)[C@@H]1O ZINC000064559450 FD Annotated Anodyne Cn1cc(CN[C@@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000064625976 FD Annotated Anodyne Cn1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1 ZINC000064625978 FD Annotated Anodyne O=C1C[C@@H](O)[C@H]2c3c(ccc(O)c31)-c1ccc(O)c3c1[C@]2(O)C=CC3=O ZINC000006505632 FD Annotated Mild O=C(O)C[C@H]1N[C@@H](/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC1=O ZINC000006514130 FD Annotated Anodyne O=C(O)C[C@H]1N[C@H](/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC1=O ZINC000006514131 FD Annotated Anodyne COc1cc2c(c(O)c1C)C(=O)[C@@]1(O)c3cccc(O)c3O[C@@H](OC)[C@@H]1O2 ZINC000006520503 FD Annotated Anodyne in-vitro biogenic Cc1c(N2C[C@@H]3CNC[C@@H]3C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006520979 FD Annotated Anodyne Cc1c(N2C[C@H](F)[C@H](N)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 ZINC000006521002 FD Annotated Anodyne Cc1cc(C)cc(Sc2c(C3CC3)c(=O)[nH]c(=O)n2OCCCO)c1 ZINC000006521935 FD Annotated Anodyne Cc1cccc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCCO)c1 ZINC000006523118 FD Annotated Anodyne O=C1N[C@H]2C=C[C@@H](O)[C@H](O[C@@H]3CCCCO3)[C@@H]2c2cc3c(cc21)OCO3 ZINC000006524648 FD Annotated Anodyne O=C1N[C@H]2C=C[C@@H](O)[C@H](O[C@H]3CCCCO3)[C@@H]2c2cc3c(cc21)OCO3 ZINC000006524649 FD Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(O)cc2O)nc1 ZINC000006569906 FD Annotated Mild O=S1C[C@](CO)(Cc2ccccc2)C(O)[C@@](CO)(Cc2ccccc2)C1 ZINC000006580887 FD Annotated Anodyne COc1cc(SC)ccc1C(=O)OCC(=O)N1CCN(C(C)=O)CC1 ZINC000006612328 FD Annotated Anodyne O=C1CN(C(=O)COC(=O)CCc2ccccc2O)c2ccccc2N1 ZINC000006625914 FD Annotated Anodyne COC(=O)c1c(O)c(C#N)c2n(c1=O)CCc1cc(OC)c(OC)cc1-2 ZINC000006666835 FD Annotated Mild COc1ccc(NC(=O)C[C@H]2SC(NC[C@@H]3CCCO3)=NC2=O)cc1 ZINC000006678574 FD Annotated Anodyne COCCNC(=O)Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000006732932 FD Annotated Anodyne CCN(CC)CCCNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O ZINC000006738676 FD Annotated Anodyne COc1cccc(N2CCN(c3c4c(nc5nncn35)CCC4)CC2)c1 ZINC000006742982 FD Annotated Anodyne CN(C)C(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccccc2F)cc1 ZINC000006747095 FD Annotated Anodyne Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NC[C@@H]3CCCO3)nc(C)n12 ZINC000006749686 FD Annotated Anodyne Cc1ccc2c(c1)cc1c(=O)n(CC(=O)NC[C@H]3CCCO3)nc(C)n12 ZINC000006749687 FD Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccco3)C2)CC1 ZINC000006755595 FD Annotated Anodyne CC1CCN(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)CC1 ZINC000006755612 FD Annotated Anodyne CCOC(=O)N1CCN(C(=O)C2=C(C)C(=O)OC23CCCCC3)CC1 ZINC000006772454 FD Annotated Anodyne Cc1nc2c(c(C)c1CCC(=O)NC1CCCCC1)c(=O)n(C)c(=O)n2C ZINC000006772806 FD Annotated Anodyne Cc1nc2c(c(C)c1CCC(=O)NC1CCCC1)c(=O)n(C)c(=O)n2C ZINC000006772807 FD Annotated Anodyne Cc1nn(CC(=O)Nc2ccc(Br)cn2)c(=O)c2cccn12 ZINC000006780698 FD Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)Cn1c(=O)c2cccn2c2ccccc21 ZINC000006782274 FD Annotated Anodyne CCN1CCC[C@H]1CNC(=O)Cn1c(=O)c2cccn2c2ccccc21 ZINC000006782277 FD Annotated Anodyne CC(C)OCCCn1c(=O)c2ccccc2n2c(CCC(=O)O)nnc12 ZINC000006785028 FD Annotated Anodyne CC[C@@H](C(=O)N1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794556 FD Annotated Anodyne CC[C@H](C(=O)N1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21 ZINC000006794562 FD Annotated Anodyne COCCCNC(=O)CN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000006796292 FD Annotated Anodyne COCCCNC(=O)CN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000006796295 FD Annotated Anodyne CCCCN(CC)CCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797285 FD Annotated Anodyne O=C(CCCn1c(=O)c2cccn2c2cccnc21)NC[C@@H]1CCCO1 ZINC000006797505 FD Annotated Anodyne O=C(CCCn1c(=O)c2cccn2c2cccnc21)NC[C@H]1CCCO1 ZINC000006797507 FD Annotated Anodyne C[C@H](NC(=O)CN(C)c1nnc(N2CCCC2=O)s1)c1ccccc1 ZINC000006798720 FD Annotated Anodyne C[C@@H](NC(=O)CN(C)c1nnc(N2CCCC2=O)s1)c1ccccc1 ZINC000006798721 FD Annotated Anodyne CC[C@@H](C(=O)NCc1ccccn1)n1ncn2c(cc3occc32)c1=O ZINC000006803276 FD Annotated Anodyne CC[C@H](C(=O)NCc1ccccn1)n1ncn2c(cc3occc32)c1=O ZINC000006803278 FD Annotated Anodyne C[C@@H]1CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O ZINC000006806593 FD Annotated Anodyne C[C@H]1CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2S1(=O)=O ZINC000006806594 FD Annotated Anodyne CN(C)CCNC(=O)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2 ZINC000006808386 FD Annotated Anodyne NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21 ZINC000006817324 FD Annotated Anodyne NC(=O)CSc1nc2nccnc2c(=O)n1Cc1ccccc1Cl ZINC000006818551 FD Annotated Anodyne COCCCNC(=O)CN1C(=O)CC(C)(C)S(=O)(=O)c2ccccc21 ZINC000006820442 FD Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)Nc3cccc(F)c3)c(C)nc2s1 ZINC000006823060 FD Annotated Anodyne CCc1nn2c(=O)c(S(=O)(=O)NCc3ccccc3)c(C)nc2s1 ZINC000006823068 FD Annotated Anodyne CCN1CCC[C@@H]1CNS(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823811 FD Annotated Anodyne CCN1CCC[C@H]1CNS(=O)(=O)c1c(C)nc2scc(C)n2c1=O ZINC000006823818 FD Annotated Anodyne O=C(NCCCN1CCCC1=O)c1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000006840100 FD Annotated Anodyne O=C(c1ccco1)N1CCN(C(=O)c2nc(-c3cccnc3)no2)CC1 ZINC000006841811 FD Annotated Anodyne CS(=O)(=O)CC[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O ZINC000006874932 FD Annotated Anodyne CS(=O)(=O)CC[C@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O ZINC000006874950 FD Annotated Anodyne C[C@H]1Sc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc2NC1=O ZINC000006892770 FD Annotated Anodyne C[C@@H]1Sc2ccc(S(=O)(=O)N3CCC(C(N)=O)CC3)cc2NC1=O ZINC000006892771 FD Annotated Anodyne O=C1COc2ccc(S(=O)(=O)CCC(=O)NC3CCCCC3)cc2N1 ZINC000006893276 FD Annotated Anodyne COCCNC(=O)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 ZINC000006900335 FD Annotated Anodyne c1cnc(N2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)nc1 ZINC000006932689 FD Annotated Anodyne COCCn1c(SCC(=O)N2CCCC2=O)nnc1-c1ccncc1 ZINC000006937985 FD Annotated Anodyne Cc1ccc(CNS(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)cc1 ZINC000006938544 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCCc1ccccc1 ZINC000006938600 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)NCc1ccc(F)cc1 ZINC000006938622 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000006938654 FD Annotated Anodyne Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000006938662 FD Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)NCc1ccccc1)n(C)c(=O)c(=O)n2C ZINC000006938886 FD Annotated Anodyne Nc1c(-c2nc(-c3ccncc3)no2)nnn1CC(=O)Nc1ccccc1 ZINC000006939230 FD Annotated Anodyne CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 ZINC000006941960 FD Annotated Anodyne CC[C@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 ZINC000006941968 FD Annotated Anodyne O=c1ccc(-c2ccc(S(=O)(=O)NCCCc3ccccc3)o2)n[nH]1 ZINC000006973972 FD Annotated Anodyne C/C(CC(=O)Nc1cccnc1)=N\NC(=O)C(=O)Nc1cccc(C)c1 ZINC000006997611 FD Annotated Reactive CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCN1CCCCCC1 ZINC000006998645 FD Annotated Anodyne Cc1ccccc1OCCC(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 ZINC000065417242 FD Annotated Anodyne Cc1ccc(C2(CN3CCN(c4ncccn4)CC3)CCNCC2)nc1 ZINC000065434254 FD Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4c(cnn4C)c3)[nH]c12 ZINC000653628369 FD Annotated Anodyne O=C(c1cnn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c12)N1CCCC1 ZINC000653662270 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCC4(CC4)C3)n2)cn1 ZINC000653663037 FD Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c12 ZINC000653663952 FD Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4n[nH]c(C)c4c3)[nH]c12 ZINC000653666579 FD Annotated Anodyne CN(CCN)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(O)cc1O ZINC000653667306 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](F)C3)n2)cn1 ZINC000653667582 FD Annotated Anodyne C[C@H]1CN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@H]1F ZINC000653668895 FD Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c12 ZINC000653669352 FD Annotated Anodyne COc1cc2nn[nH]c2cc1-c1cc(=O)n2nc(N)c(-c3ccccn3)c2[nH]1 ZINC000653670654 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC4CC3C4)n2)cn1 ZINC000653673702 FD Annotated Anodyne CCCNC(=O)c1c(N)nn2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c12 ZINC000653674055 FD Annotated Anodyne CCCNC(=O)c1cnn2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c12 ZINC000653678790 FD Annotated Anodyne Cc1cc2nn[nH]c2cc1-c1cc(=O)n2nc(N)c(-c3ccccn3)c2[nH]1 ZINC000653684244 FD Annotated Anodyne Cn1nnc2cc(-c3cc(=O)n4nc(N)c(-c5ccccn5)c4[nH]3)ccc21 ZINC000653684275 FD Annotated Anodyne COc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 ZINC000653686233 FD Annotated Anodyne Cc1c(-c2cc(=O)n3nc(N)c(-c4ccccn4)c3[nH]2)ccc2nn[nH]c12 ZINC000653686245 FD Annotated Anodyne O=[N+]([O-])c1cccc2c1nc(C(F)(F)F)n2Cc1ccc(B(O)O)cc1 ZINC000653692060 FD Annotated Reactive O=C(CCS)NCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000653692119 FD Annotated Mild O=C(CCCCCCNc1nc(N2CCOCC2)[nH]c2ncnc1-2)NO ZINC000653693444 FD Annotated Bother O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2nccn2)n1 ZINC000653694210 FD Annotated Anodyne O=C(NO)[C@H](CO)O[C@@H](CO)c1ccc(C#CC#Cc2ccccc2)cc1 ZINC000653697063 FD Annotated Mild O=C(NO)[C@H](CO)O[C@H](CO)c1ccc(C#CC#Cc2ccccc2)cc1 ZINC000653697064 FD Annotated Mild O=C(NO)[C@@H](CO)O[C@@H](CO)c1ccc(C#CC#Cc2ccccc2)cc1 ZINC000653697065 FD Annotated Mild N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@@]12C(=O)c1cccc3cccc2c13 ZINC000653708723 FD Annotated Reactive N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@]12C(=O)c1cccc3cccc2c13 ZINC000653708724 FD Annotated Reactive O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2ccnn2)n1 ZINC000653709746 FD Annotated Anodyne N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCO)c2nc1C#N ZINC000653710216 FD Annotated Mild CCOc1ccc2cc(-c3nn([C@@H](C)CO)c(N)c3C(N)=O)cnc2c1 ZINC000653711589 FD Annotated Anodyne CCOc1ccc2cc(-c3nn([C@H](C)CO)c(N)c3C(N)=O)cnc2c1 ZINC000653711590 FD Annotated Anodyne Cc1c(C(=O)Nc2ccccc2S(C)(=O)=O)sc2[nH]cnc(=O)c12 ZINC000653714218 FD Annotated Anodyne Cc1c(C(=O)Nc2ccccc2S(N)(=O)=O)sc2[nH]cnc(=O)c12 ZINC000653714288 FD Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)cc1OC ZINC000653721385 FD Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)cc1OC ZINC000653721386 FD Annotated Anodyne NCC(=O)Oc1ccc([C@@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 ZINC000653721412 FD Annotated Anodyne NCC(=O)Oc1ccc([C@H](CN)C(=O)Nc2ccc3cnccc3c2)cc1 ZINC000653721413 FD Annotated Anodyne O=C1C=C[C@@]2(O1)O[C@@H](c1ccccc1)[C@@H](O)[C@H]2I ZINC000653721907 FD Annotated Reactive [O-][N+]1=C(Nc2ccc(Nc3cccc(NC4=[N+]([O-])CCN4)c3)cc2)NCC1 ZINC000653721990 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653722062 FD Annotated Mild C[C@H]1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653723681 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653723685 FD Annotated Anodyne CCc1c(C)[nH]c2c(-c3cnn(-c4cc(CO)ccn4)c3)cnn2c1=O ZINC000653723944 FD Annotated Anodyne CN1C(=O)/C(=N\c2ccc(S(N)(=O)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000653723989 FD Annotated Mild C[C@]1(CN2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725542 FD Annotated Bother C[C@@]1(CN2CCN(c3ccc(F)cc3)CC2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000653725543 FD Annotated Bother N=C(N/N=C(\C(=O)O)c1ccccc1)N/N=C(\C(=O)O)c1ccccc1 ZINC000653727861 FD Annotated Mild O=C1C=C[C@]2(O1)O[C@@H](c1ccccc1)[C@@H](O)[C@@H]2I ZINC000653729570 FD Annotated Reactive O=C1C=C[C@@]2(O1)O[C@H](c1ccccc1)[C@@H](O)[C@H]2I ZINC000653730821 FD Annotated Reactive C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2O)OC3=O ZINC000653733664 FD Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2O)OC3=O ZINC000653733665 FD Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653733666 FD Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653733667 FD Annotated Mild O=C1C=C[C@@]2(O1)O[C@H](c1ccccc1)[C@@H](O)[C@@H]2I ZINC000653735645 FD Annotated Reactive O=C1C=C[C@]2(O1)O[C@H](c1ccccc1)[C@@H](O)[C@@H]2I ZINC000653735646 FD Annotated Reactive O=C1C=C[C@]2(O1)O[C@@H](c1ccccc1)[C@@H](O)[C@H]2I ZINC000653735647 FD Annotated Reactive C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000653737388 FD Annotated Mild C=C1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000653737389 FD Annotated Mild C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2O)OC3=O ZINC000653737402 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653737403 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12[C@@H](O)O[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000653737404 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12[C@H](CCC(C)(C)[C@H]1[C@H](O)O[C@H]2O)OC3=O ZINC000653737405 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000653737423 FD Annotated Mild C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42 ZINC000653737424 FD Annotated Mild C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000653737435 FD Annotated Anodyne C[C@H]1C(=O)[C@]23C[C@@H]1CC[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000653737436 FD Annotated Anodyne C=C1[C@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CC[C@@]4(C)CO[C@H]5OC[C@@]23[C@H]54)[C@@H]1O ZINC000653738908 FD Annotated Mild C=C1[C@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@@H]4O[C@H]5O[C@@H](O)[C@H](C4(C)C)[C@]253)[C@@H]1O ZINC000653739802 FD Annotated Mild Cc1nc2ccccc2n(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1=O ZINC000653740477 FD Annotated Reactive Cn1ncc2ncn(Cc3nc(CCc4ccc(Cl)cc4)no3)c(=O)c21 ZINC000653745119 FD Annotated Anodyne Cn1ncc2cc(Cc3n[nH]c4ccc(C(=O)N5CC(O)C5)cc34)ccc21 ZINC000653746452 FD Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(CC2CCOCC2)C3=O)n1 ZINC000653747915 FD Annotated Anodyne Nc1ncc(-c2cc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)n2)cn1 ZINC000653753090 FD Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(C#N)cc2)C3=O)n1 ZINC000653755978 FD Annotated Mild Cc1[nH]nc(O)c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)nc(O)nc1O ZINC000653758634 FD Annotated Bother Cc1[nH]nc(O)c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)nc(O)nc1O ZINC000653758660 FD Annotated Bother Cc1[nH]nc(O)c1[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)nc(O)nc1O ZINC000653758674 FD Annotated Bother Nc1ncc(-c2nc(N3CC4CC3C4)nc(N3C[C@@H]4C[C@H]3CO4)c2F)cn1 ZINC000653760509 FD Annotated Anodyne Nc1ncc(-c2cc(C3[C@H]4CC[C@H]3CNC4)nc(N3CC4CC3C4)n2)cn1 ZINC000653762354 FD Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1CNNC(=O)c1cc[n+]([O-])cc1 ZINC000653762956 FD Annotated Reactive Nc1ncc(-c2cc(N3C[C@@H]4CC[C@H](C3)O4)nc(N3CC4CC3C4)n2)cn1 ZINC000653763482 FD Annotated Anodyne C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(CO)[C@H]2CCC1=CCOC1=O ZINC000653764336 FD Annotated Anodyne CCOC(=O)c1[nH]c2ccccc2c1/C=N\NC(=O)c1cc[n+]([O-])cc1 ZINC000653766961 FD Annotated Reactive CCNC(=O)Nc1cn(C[C@H](O)CO)c2cc(-c3cccnc3)cnc12 ZINC000653767979 FD Annotated Clean CCNC(=O)Nc1cn(C[C@@H](O)CO)c2cc(-c3cccnc3)cnc12 ZINC000653767980 FD Annotated Clean Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)cc(N3CC4CC3C4)n2)cn1 ZINC000653775392 FD Annotated Anodyne Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC4CC3C4)n2)cn1 ZINC000653775398 FD Annotated Anodyne CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1COC1 ZINC000653775560 FD Annotated Anodyne CS(=O)(=O)N(C[C@H](O)Cn1c2ccccc2c2ccccc21)C1COC1 ZINC000653775561 FD Annotated Anodyne Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccncc2)C3=O)n1 ZINC000653778088 FD Annotated Anodyne C[C@]1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653778425 FD Annotated Anodyne C[C@@]1(F)CCN(c2nc(-c3cnc(N)nc3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 ZINC000653778426 FD Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(CO)cc(O)c1C(=O)O ZINC000653779456 FD Annotated Anodyne O=C(NCCc1ccc(O)cc1)c1cn(CCc2ccc(O)cc2)nn1 ZINC000653780328 FD Annotated Anodyne CC(C)c1nc(C(=O)N[C@H]2[C@@H]3CN(CC(C)(C)O)C[C@@H]32)c2ccccn12 ZINC000653780395 FD Annotated Anodyne CC(C)c1nc(C(=O)NC2[C@H]3CN(CC(C)(C)O)C[C@H]23)c2ccccn12 ZINC000653780396 FD Annotated Anodyne CC(C)c1nc(C(=O)NC2[C@@H]3CN(CC(C)(C)O)C[C@@H]23)c2ccccn12 ZINC000653780397 FD Annotated Anodyne COc1cc2c(c3occc13)[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]21CC[C@@]3(O)OC1 ZINC000653780763 FD Annotated Anodyne O=C1c2ccccc2C(=O)N1CN1C(=O)CS/C1=N\N=C\c1ccco1 ZINC000653782504 FD Annotated Mild C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784849 FD Annotated Anodyne C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784851 FD Annotated Anodyne C[C@H](C(=O)N1CCN(c2ccccc2F)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784861 FD Annotated Anodyne C[C@@H](C(=O)N1CCN(c2ccccc2F)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784862 FD Annotated Anodyne C[C@H](C(=O)N1CCN(c2cccc(F)c2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784904 FD Annotated Anodyne C[C@@H](C(=O)N1CCN(c2cccc(F)c2)CC1)N1C(=O)CC(C)(C)C1=O ZINC000653784905 FD Annotated Anodyne C[C@@H]1CN2C[C@H]3CC[C@H](O)[C@@H]4C5=C(C[C@@]46C(=O)[C@H]1C[C@@H]2[C@@]36C)C(=O)OCC5 ZINC000653785996 FD Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@H](C)N3C(=O)CC(C)(C)C3=O)CC2)c1 ZINC000653786528 FD Annotated Anodyne Cc1cccc(N2CCN(C(=O)[C@@H](C)N3C(=O)CC(C)(C)C3=O)CC2)c1 ZINC000653786529 FD Annotated Anodyne Cc1c(O)c2c(c(C)c1CCO)[C@H](O)C(C)(C)[C@@H]2SC[C@H](N)C(=O)O ZINC000653786680 FD Annotated Anodyne Cc1c(O)c2c(c(C)c1CCO)[C@H](O)C(C)(C)[C@H]2SC[C@H](N)C(=O)O ZINC000653786681 FD Annotated Anodyne Cc1c(O)c2c(c(C)c1CCO)[C@@H](O)C(C)(C)[C@H]2SC[C@H](N)C(=O)O ZINC000653786682 FD Annotated Anodyne N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@@]12C(=O)c1cccc3cccc2c13 ZINC000653786701 FD Annotated Reactive N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@]12C(=O)c1cccc3cccc2c13 ZINC000653786702 FD Annotated Reactive CS(=O)(=O)Nc1ccc2c(c1)C(=O)c1cc(NS(C)(=O)=O)ccc1-2 ZINC000653787389 FD Annotated Anodyne Cn1ncnc1[C@@H]1c2nnc(O)c3cc(F)cc(c23)N[C@H]1c1cncnc1 ZINC000653788042 FD Annotated Anodyne Cn1ncnc1[C@H]1c2nnc(O)c3cc(F)cc(c23)N[C@H]1c1cncnc1 ZINC000653788043 FD Annotated Anodyne Cn1ncnc1[C@@H]1c2nnc(O)c3cc(F)cc(c23)N[C@@H]1c1cncnc1 ZINC000653788044 FD Annotated Anodyne Cn1ncnc1[C@H]1c2nnc(O)c3cc(F)cc(c23)N[C@@H]1c1cncnc1 ZINC000653788045 FD Annotated Anodyne NC(=O)[C@H]1CN(c2ccc(-n3cc(-c4ccccn4)cn3)c(F)c2)C(=O)O1 ZINC000653790054 FD Annotated Anodyne COCCn1cc(C(=O)C(=O)Nc2ccc(OC)nc2)c2cccnc21 ZINC000653791850 FD Annotated Anodyne O=C1COCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1 ZINC000653791929 FD Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCOCC3)nc1)C2 ZINC000653791965 FD Annotated Bother O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(N3CCOCC3)cc1)C2 ZINC000653791968 FD Annotated Bother O=C1CCCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cn1 ZINC000653793702 FD Annotated Bother O=C(O)[C@H]1C[C@@H](C(=O)O)[C@H]2ON=C(c3ccc(Br)cc3)[C@@H]12 ZINC000653794063 FD Annotated Anodyne COCCOC(=O)c1cc(=O)c(=O)c2oc3cc(N(C)C)ccc3[nH]c1=2 ZINC000653794521 FD Annotated Bother N#CC12CC3C[C@@H](C1)C(NC(=O)c1cnn4cc(CCO)cnc14)[C@@H](C3)C2 ZINC000653795670 FD Annotated Mild COCCOC(=O)c1cc(=O)c(O)c2oc3cc(N(C)C)ccc3nc1-2 ZINC000653795819 FD Annotated Bother COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4CC[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C ZINC000653797732 FD Annotated Mild CCOC(=O)C(NC(=O)CN[C@H]1CCCc2sccc21)C(=O)OCC ZINC000653797931 FD Annotated Anodyne Nc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c2cccc(F)c2n1 ZINC000653798055 FD Annotated Anodyne Cn1nccc1[C@@H]1Nc2cc(F)cc3c(O)nnc(c23)[C@H]1c1ncnn1C ZINC000653798068 FD Annotated Anodyne Cn1nccc1[C@@H]1Nc2cc(F)cc3c(O)nnc(c23)[C@@H]1c1ncnn1C ZINC000653798069 FD Annotated Anodyne Cn1nccc1[C@H]1Nc2cc(F)cc3c(O)nnc(c23)[C@H]1c1ncnn1C ZINC000653798070 FD Annotated Anodyne Cn1nccc1[C@H]1Nc2cc(F)cc3c(O)nnc(c23)[C@@H]1c1ncnn1C ZINC000653798071 FD Annotated Anodyne O=C(Cc1ccc(F)c(Cl)c1)Nc1cnc(C(=O)NO)c(O)c1CO ZINC000653803317 FD Annotated Anodyne NCCNc1c2c(c(NCCN)c3occc13)C(=O)c1ccccc1C2=O ZINC000653806287 FD Annotated Clean c1ccc2sc(N3CCN(Cc4nnnn4[C@@H]4CCCO4)CC3)nc2c1 ZINC000653808022 FD Annotated Anodyne c1ccc2sc(N3CCN(Cc4nnnn4[C@H]4CCCO4)CC3)nc2c1 ZINC000653808023 FD Annotated Anodyne COC(=O)Cc1c[nH]c(=O)c2cc(Br)c(Br)n12 ZINC000653808754 FD Annotated Anodyne CCOC(=O)Cn1c(COC)nc2c(c(C)nn2-c2ccccc2)c1=O ZINC000653817016 FD Annotated Anodyne CNC(=O)c1ccc2c(N)ncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1 ZINC000653819842 FD Annotated Anodyne CCOCc1nc2c(c(C)nn2-c2ccccc2)c(=O)n1CC(=O)OCC ZINC000653820955 FD Annotated Anodyne O=C(NO)[C@@H]1CN(c2ccc(C#CC#CC3CC3)c([N+](=O)[O-])c2)C(=O)O1 ZINC000653825392 FD Annotated Mild NC(O)=C1C=CN(CCCCC[n+]2cccc(NC(=O)C=[N+]=O)c2)C=C1 ZINC000653831334 FD Annotated Anodyne Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000653834556 FD Annotated Reactive CNC(=O)c1ccc2cncc(-c3ccc4c(c3)CS(=O)(=O)N4)c2n1 ZINC000653838527 FD Annotated Anodyne COc1ccc2c(c1)S(=O)(=O)N(Cc1ccccc1)CN2CC(=O)O ZINC000653848901 FD Annotated Clean O=C(O)CN1CN(Cc2ccc(O)cc2)S(=O)(=O)c2cc(O)ccc21 ZINC000653849011 FD Annotated Anodyne NC(=O)C[C@@H](C1CCCCC1)n1cc(N=c2ncnc3[nH][nH]cc2-3)cn1 ZINC000653849077 FD Annotated Anodyne NC(=O)C[C@H](C1CCCCC1)n1cc(N=c2ncnc3[nH][nH]cc2-3)cn1 ZINC000653849078 FD Annotated Anodyne Cc1ccc2c(c1)S(=O)(=O)N(Cc1ccc(O)cc1)CN2CC(=O)O ZINC000653851025 FD Annotated Anodyne CC(C)(O)[C@]12O[C@H]1C[C@@H]1[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]1(O)[C@H]2O ZINC000653851653 FD Annotated Anodyne O=S(=O)(c1ccc2nsnc2c1)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653861136 FD Annotated Anodyne O=S(=O)(c1ccc2nsnc2c1)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653861137 FD Annotated Anodyne NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1 ZINC000653873354 FD Annotated Reactive O=C(Cc1ccccc1)NN1C[C@@H]2C=CC[C@@H](C(=O)N3CCCC3)[C@H]2C1=O ZINC000653873790 FD Annotated Anodyne C=C1C(=O)O[C@H]2C/C(COC(=O)C(C)C)=C/CC[C@]3(C)O[C@H]3[C@@H](O)[C@H]12 ZINC000653884781 FD Annotated Mild O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OCc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000653886939 FD Annotated Anodyne O=S(=O)(c1cccc2nsnc12)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653887983 FD Annotated Anodyne O=S(=O)(c1cccc2nsnc12)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653887984 FD Annotated Anodyne CN(C)CCNc1cc2c(cn1)cc(NC(=O)c1ccncc1)c(=O)n2C ZINC000653897451 FD Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N2CCC[C@H](Cn3ccnc3)C2)ccc1O ZINC000653899418 FD Annotated Anodyne O=C(O)c1cc(S(=O)(=O)N2CCC[C@@H](Cn3ccnc3)C2)ccc1O ZINC000653899419 FD Annotated Anodyne CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3ccn(C)c23)c1 ZINC000653900939 FD Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000653912877 FD Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)N1CCC[C@H](Cn2ccnc2)C1 ZINC000653912878 FD Annotated Anodyne CN(C)c1ccc([C@@H]2SCC(=O)N2NC(=O)c2nccnc2N)cc1 ZINC000653918434 FD Annotated Clean CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)c2nccnc2N)cc1 ZINC000653918435 FD Annotated Clean Cc1cnc(C(=O)NN2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)cn1 ZINC000653918532 FD Annotated Clean CCOc1cc([C@@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)ccc1O ZINC000653918543 FD Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2NC(=O)c2cnc(C)cn2)ccc1O ZINC000653918557 FD Annotated Anodyne CS(=O)(=O)CCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000065647225 FD Annotated Anodyne C[C@@H](O)[C@H](C(=O)NO)N1Cc2ccc(C#Cc3ccccc3)cc2C1=O ZINC000066066208 FD Annotated Mild Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1 ZINC000066066353 FD Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc(C#N)c2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000066066452 FD Annotated Mild NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3ccccn3)cc1-2 ZINC000066066478 FD Annotated Anodyne O=C(O)c1cc(CN2CCC(n3ccnn3)CC2)c2ccccn2c1=O ZINC000066066480 FD Annotated Anodyne O=C1OCC(NCCN2CCOCC2)=C1c1ccc(Br)cc1 ZINC000066073741 FD Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3cccnc3)cc1-2 ZINC000066074003 FD Annotated Anodyne NC(=O)Nc1sc2c(c1C(N)=O)CCc1nn(Cc3ccncc3)cc1-2 ZINC000066074004 FD Annotated Anodyne Cc1c(C(=O)NNS(=O)(=O)c2ccccc2)nnn1Nc1ccccc1 ZINC000066076383 FD Annotated Reactive C[C@@H](O)[C@H](C(=O)NO)N1Cc2cc(C#Cc3ccccc3)ccc2C1=O ZINC000066076580 FD Annotated Mild C[C@@H](O)[C@H](C(=O)NO)n1[nH]c2cc(C#Cc3ccccc3)ccc2c1=O ZINC000066076583 FD Annotated Mild CSc1ccc(OCc2nc(S(=O)(=O)O)c([N+](=O)[O-])n2C)cc1 ZINC000066078050 FD Annotated Bother CSCC[C@H](NC(=O)[C@H]1SC(C)(C)S[C@H]1C(=O)O)C(=O)O ZINC000066079212 FD Annotated Anodyne CSCC[C@H](NC(=O)[C@@H]1SC(C)(C)S[C@H]1C(=O)O)C(=O)O ZINC000066079214 FD Annotated Anodyne CSCC[C@H](NC(=O)[C@H]1SC(C)(C)S[C@@H]1C(=O)O)C(=O)O ZINC000066079216 FD Annotated Anodyne CSCC[C@H](NC(=O)[C@@H]1SC(C)(C)S[C@@H]1C(=O)O)C(=O)O ZINC000066079218 FD Annotated Anodyne COc1ccc(-c2cc(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncn2)cn1 ZINC000066079307 FD Annotated Anodyne CCN(CC)CN1C(=O)/C(=N\NC(=S)NOC)c2cc(Cl)ccc21 ZINC000066079657 FD Annotated Mild CCN(CC)CN1C(=O)/C(=N\NC(=S)NOC)c2cc(F)ccc21 ZINC000066079659 FD Annotated Mild N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1c1ccccc1 ZINC000066080456 FD Annotated Anodyne CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/O)cn3)o2)nc1 ZINC000066099918 FD Annotated Mild COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CCN2C[C@H]([C@@H](C)O)[C@@H]1C[C@H]23 ZINC000066100112 FD Annotated Anodyne Nc1nc(-c2ccc(P(=O)(O)O)o2)c(I)s1 ZINC000066100248 FD Annotated Anodyne COc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 ZINC000066100492 FD Annotated Anodyne COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 ZINC000066100496 FD Annotated Anodyne CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1cccc(C#N)c1 ZINC000066102860 FD Annotated Reactive COC(=O)CC[C@@H](C(=O)OC)N1C(=O)[C@@H]2Cc3ccccc3CN2C1(C)C ZINC000066103062 FD Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)Nc1cc(O)c2ccccc2n1 ZINC000066103609 FD Annotated Anodyne CS(=O)(=O)N1CCC(n2cc(-c3nnc(-c4ccccc4)o3)nn2)CC1 ZINC000066104553 FD Annotated Anodyne CCN(CC)CN1C(=O)/C(=N\NC(=S)NO)c2cc(Cl)ccc21 ZINC000066104565 FD Annotated Mild Fc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 ZINC000066111717 FD Annotated Anodyne Fc1cccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)c1 ZINC000066112015 FD Annotated Anodyne Fc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1 ZINC000066112016 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@@H](C(C)=O)[C@@H]1C[C@H]23 ZINC000066112299 FD Annotated Anodyne COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@H](C(C)=O)[C@@H]1C[C@H]23 ZINC000066112300 FD Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)/C=C(C)/C=C/C(=O)NO)cc1 ZINC000066112322 FD Annotated Bother CC(=O)Nc1ccc(S(=O)(=O)[C@H](C)/C=C(C)/C=C/C(=O)NO)cc1 ZINC000066112323 FD Annotated Bother COc1cc([C@@H](O)[C@H]2OC[C@@H](O)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000066112345 FD Annotated Anodyne CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000066129390 FD Annotated Clean COC1=C[C@@H](C(=O)NCCNC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000066136269 FD Annotated Mild COC1=C[C@H](C(=O)NCCNC(C)=O)[C@@]2(C)Cc3ccccc3[C@@H]2CC1=O ZINC000066136270 FD Annotated Mild COc1ccc(N[C@H](NS(N)(=O)=O)Oc2ccccc2)cc1OC ZINC000066166091 FD Annotated Anodyne Cc1ccc(COP(=O)(O)O)c(/C=N/CCCC[C@H](N)C(=O)O)c1O ZINC000066166247 FD Annotated Mild CS(=O)(=O)/C(C#N)=C/c1cccn1S(=O)(=O)c1ccc(C#N)cc1 ZINC000066167264 FD Annotated Reactive CC1(C)C[C@]12NC(=O)N(NC(=O)c1ccc(Br)cc1)C2=O ZINC000066251107 FD Annotated Anodyne CC1(C)C[C@@]12NC(=O)N(NC(=O)c1ccc(Br)cc1)C2=O ZINC000066251108 FD Annotated Anodyne Nc1c(C(=O)N2CC(F)(F)C2)nnc2c(-c3ncccn3)c(F)ccc12 ZINC000066251636 FD Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@H]2NC(=O)c2ccccc2F)n1 ZINC000066258278 FD Annotated Anodyne CCCc1cc(=O)[nH]c(N2NC(C)=C[C@@H]2NC(=O)c2ccccc2F)n1 ZINC000066258279 FD Annotated Anodyne CC1=C[C@@H](NC(=O)[C@@H](C)Oc2ccccc2)N(c2nc(C)c(C)c(=O)[nH]2)N1 ZINC000066258517 FD Annotated Anodyne CC1=C[C@H](NC(=O)[C@@H](C)Oc2ccccc2)N(c2nc(C)c(C)c(=O)[nH]2)N1 ZINC000066258518 FD Annotated Anodyne O=C1C(F)=C(N(CCO)CCO)C(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000066258730 FD Annotated Mild Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCNC4)nc23)cn1 ZINC000066260155 FD Annotated Anodyne Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCNC4)nc23)cn1 ZINC000066260156 FD Annotated Anodyne COc1ccccc1OC1CN(c2c3c(nc4ccnn24)CCNCC3)C1 ZINC000066263587 FD Annotated Anodyne CN1C[C@@H]2CC[C@H](CC1=O)N2C(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000067447058 FD Annotated Anodyne Cc1noc(CN2CC=C(c3cnn([C@@H]4CCS(=O)(=O)C4)c3)CC2)n1 ZINC000067490557 FD Annotated Anodyne Cc1noc(CN2CC=C(c3cnn([C@H]4CCS(=O)(=O)C4)c3)CC2)n1 ZINC000067490559 FD Annotated Anodyne CN(C)c1nc2c(c(N(C)Cc3n[nH]c4c3CCCCC4)n1)CCNC2 ZINC000067714623 FD Annotated Anodyne NC(=O)c1cc2c(nc1N1C[C@H]3[C@@H](C1)OC(=O)N3C1CCCC1)CCC2 ZINC000067774883 FD Annotated Anodyne Cn1ncc(N2CCN(Cc3ccc(-c4ccn[nH]4)s3)CC2)cc1=O ZINC000067788061 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C(/C(=O)O)[C@@H](O)CO ZINC000067903052 FD Annotated Mild CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(F)c3)[C@H]2C)cn1 ZINC000068151538 FD Annotated Mild Cc1cc(=O)oc2cc3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12 ZINC000069062004 FD Annotated Clean C[C@@H]1C[C@@H](O)[C@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CC/C(=C/CO)CO ZINC000069481952 FD Annotated Anodyne in-vitro biogenic C[C@@]1(C(=O)CO)CC[C@H]2C(=C[C@H]3OC(=O)[C@]4(C)[C@H]3[C@]23CC[C@]4(O)OC3)C1 ZINC000069482242 FD Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@]3(COC1=O)[C@H]2[C@H](O)CC[C@]31CC[C@]2(CCOC2=O)O1 ZINC000069482467 FD Annotated Anodyne in-vitro biogenic CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC(C)C ZINC000007006149 FD Annotated Anodyne C[C@@H](CCNS(=O)(=O)c1csc(C(N)=O)c1)N1CCCCCC1 ZINC000007006326 FD Annotated Anodyne C[C@H](CCNS(=O)(=O)c1csc(C(N)=O)c1)N1CCCCCC1 ZINC000007006327 FD Annotated Anodyne CN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1csc(C(N)=O)c1 ZINC000007006334 FD Annotated Anodyne CN(C[C@H]1COc2ccccc2O1)S(=O)(=O)c1csc(C(N)=O)c1 ZINC000007006336 FD Annotated Anodyne CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCCN1CCCC1=O ZINC000007006855 FD Annotated Anodyne CC(C)(C)c1nnc2sc(SCC(=O)N3CCCCC3)nn2c1=O ZINC000007141112 FD Annotated Anodyne CC[C@@H](C)N(C(=O)CSc1nnc(C)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000007234909 FD Annotated Anodyne CC[C@H](C)N(C(=O)CSc1nnc(C)n1C)[C@@H]1CCS(=O)(=O)C1 ZINC000007234910 FD Annotated Anodyne CC[C@@H](C)N(C(=O)CSc1nnc(C)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000007234911 FD Annotated Anodyne CC[C@H](C)N(C(=O)CSc1nnc(C)n1C)[C@H]1CCS(=O)(=O)C1 ZINC000007234912 FD Annotated Anodyne O=C(COC(=O)C1(c2ccccc2)CC1)NNC(=O)c1ccccc1F ZINC000007489550 FD Annotated Reactive C=C1CC[C@@H](/C=C\C)C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@]1(C)O)[C@H]23 ZINC000070450826 FD Annotated Mild in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CC[C@@]4(C)CO[C@@H]5OC[C@]23[C@H]54)[C@@H]1O ZINC000070450910 FD Annotated Mild in-vitro biogenic O=C1C[C@H]2OCC=C3CN4CC[C@@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@]46O ZINC000070450956 FD Annotated Anodyne in-vitro biogenic CO[C@@H]1[C@H]2C3=CCO[C@H]4CC(=O)N5c6ccccc6[C@@]6(CCN(C3)[C@@H]16)[C@@H]5[C@H]42 ZINC000070454300 FD Annotated Anodyne in-vitro biogenic C[C@H]1C[C@@](C)([C@@H]2CC[C@@H]3N2CCCC[C@]32OC(=O)[C@H](C)[C@H]2O)OC1=O ZINC000070454830 FD Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@@H](O)[C@]2(C)CCC3=C(COC(C)=O)C(=O)O[C@@H]3[C@H]12 ZINC000070454915 FD Annotated Mild in-vitro biogenic CC(=O)OCC1=C2C/C=C(/C)[C@@H](O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2OC1=O ZINC000070454919 FD Annotated Anodyne in-vitro biogenic C=C(O[C@@H]1C=C(C=O)[C@@H]2CC[C@@](O)(CO)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21)/C(C)=C\C ZINC000070455245 FD Annotated Reactive in-vitro biogenic COc1ccc([C@@H]2[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@@H](CO)[N+]2(C)C)cc1 ZINC000070455464 FD Annotated Bother C/C=C1\CN[C@H]2C[C@@H]1[C@](CO)(C(=O)OC)[C@@]13CCO[C@@]21Nc1ccccc13 ZINC000070647119 FD Annotated Anodyne in-vitro Cc1cc(C(=O)N2CCC[C@H](CN3CCN(c4cnccn4)CC3)C2)no1 ZINC000070725299 FD Annotated Anodyne Cc1cc(C(=O)N2CCC[C@@H](CN3CCN(c4cnccn4)CC3)C2)no1 ZINC000070725303 FD Annotated Anodyne O=C1c2cc(-c3ccc(Cl)cc3)nn2CCN1CCN1CCOCC1 ZINC000071280599 FD Annotated Anodyne NC1=N[C@H](c2ccccc2)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=N1 ZINC000071281042 FD Annotated Bother NC1=N[C@@H](c2ccccc2)NC(NCCCOc2ccc([N+](=O)[O-])cc2)=N1 ZINC000071281044 FD Annotated Bother Nc1ncc(C2CC2)nc1CNC(=S)Nc1ccc2[nH]c(=O)oc2c1 ZINC000071281715 FD Annotated Anodyne CCCc1cnc(N)c(CNC(=S)Nc2ccc3[nH]c(=O)oc3c2)n1 ZINC000071294757 FD Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)Nc3[nH]nc(O)c32)cc(OC)c1OC ZINC000071294841 FD Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(O)c32)cc(OC)c1OC ZINC000071294842 FD Annotated Anodyne CC(=O)S[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H](C(=O)O)[C@@H]1c1ccccc1 ZINC000071295163 FD Annotated Anodyne CCCNC(=O)c1nnc2c(-c3cnc(OC)nc3OC)cccc2c1N ZINC000071295436 FD Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1c1c[nH]ccc1=O ZINC000071296875 FD Annotated Mild CNC(=O)c1ccc(Nc2nc3ccccc3n2-c2nc(C)nc(N)n2)o1 ZINC000071296888 FD Annotated Anodyne C[N+]1(Cc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CCOCC1 ZINC000071316764 FD Annotated Clean C[N+](C)(C)CC(=O)OCc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000071317366 FD Annotated Mild O=C(NCC1(CO)CCCC1)c1nc(N2CCOCC2)n2ccccc12 ZINC000071317418 FD Annotated Anodyne O=C([C@@H]1C[C@@H](O)CCN1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071317626 FD Annotated Anodyne CN1CCOC[C@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071318016 FD Annotated Anodyne CS(=O)(=O)N1CCC(n2cc(-c3noc(-c4ccccc4)n3)nn2)CC1 ZINC000071318122 FD Annotated Anodyne C[C@H]1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000071319161 FD Annotated Anodyne Cc1onc(NC(=O)N2CCCN(C(=O)C3CCOCC3)CC2)c1C ZINC000071319272 FD Annotated Anodyne CN1CCOC[C@@H]1C(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000071329887 FD Annotated Anodyne O=C1Nc2ccccc2/C1=N/N=C1\SCC(=O)N1Cc1ccncc1 ZINC000071330810 FD Annotated Mild CS(=O)(=O)CCNc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 ZINC000071331155 FD Annotated Anodyne CN(C)CCCn1cc(CCN(C)C)c2c1C(=O)c1cnccc1C2=O ZINC000071331300 FD Annotated Clean Cc1c(/C=N/NC(=O)c2ccncc2)[n+](=O)c2cc(Cl)ccc2n1O ZINC000071332037 FD Annotated Anodyne N[C@H](Cc1nc(-c2ccc(O)cn2)no1)C(=O)Nc1ccccc1C(=O)O ZINC000071333030 FD Annotated Anodyne N[C@@H](Cc1nc(-c2ccc(O)cn2)no1)C(=O)Nc1ccccc1C(=O)O ZINC000071333731 FD Annotated Anodyne CCC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071333767 FD Annotated Anodyne CCC(CC)CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC000071334073 FD Annotated Anodyne COC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071340486 FD Annotated Anodyne Cc1cc2c(cc1C)[n+](=O)c(/C=N/NC(=O)c1ccncc1)c(C)n2O ZINC000071340902 FD Annotated Anodyne COc1ccc2c(c1)[n+](=O)c(/C=N/NC(=O)c1ccncc1)c(C)n2O ZINC000071341226 FD Annotated Anodyne CN(C)CCc1cn(CCCCN2CC2)c2c1C(=O)c1ccncc1C2=O ZINC000071341289 FD Annotated Clean CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@]21CO1 ZINC000071341301 FD Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 ZINC000071341508 FD Annotated Anodyne CC[C@]1(O)[C@@]2(C(C)C)O[C@H]2[C@@H]2O[C@@]23[C@H]2CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]231 ZINC000071410526 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@]2(C)O ZINC000071418564 FD Annotated Anodyne CCOCc1nc(N2CCCC2)sc1C(=O)NC[C@@H]1COCCO1 ZINC000071928125 FD Annotated Anodyne CCOCc1nc(N2CCCC2)sc1C(=O)NC[C@H]1COCCO1 ZINC000071928126 FD Annotated Anodyne Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC2(CC1)OCCO2 ZINC000071933297 FD Annotated Anodyne NCC(=O)N1CCC2(CC1)CN(C(=O)Cc1ccc(Cl)cc1)CCO2 ZINC000071984101 FD Annotated Anodyne Cc1ccc(/C(=N/O)NCCN2CCOCC2)c(Oc2cccnc2)n1 ZINC000072101198 FD Annotated Mild CS(=O)(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103646 FD Annotated Anodyne CS(=O)(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 ZINC000072103647 FD Annotated Anodyne CN(C)CCNCC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O ZINC000072105075 FD Annotated Clean COc1cc2oc(C)c(C(=O)N3CCOCC3)c2cc1OS(=O)(=O)O ZINC000072105465 FD Annotated Anodyne COCCOC(=O)c1c(C)oc2cc(OC)c(OS(=O)(=O)O)cc12 ZINC000072106735 FD Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1 ZINC000072107342 FD Annotated Reactive CCCC(=O)OC[C@H]1OC(=O)N[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000072107882 FD Annotated Anodyne O=C1NCCN1c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)cc1 ZINC000072108019 FD Annotated Bother CC(=O)Oc1cc(C)c2c(c(OC(C)=O)c1=O)CC[C@H]([C@](C)(O)CO)C2 ZINC000072109001 FD Annotated Anodyne CC(=O)Oc1cc(C)c2c(c(OC(C)=O)c1=O)CC[C@H]([C@@](C)(O)CO)C2 ZINC000072109002 FD Annotated Anodyne C=CCN1C(=O)N2C[C@@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 ZINC000072109195 FD Annotated Mild CCS(=O)(=O)C[C@](C)(O)[C@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1 ZINC000072109722 FD Annotated Anodyne CCS(=O)(=O)C[C@@](C)(O)[C@H]1CCc2c(c(C)cc(O)c(=O)c2O)C1 ZINC000072109723 FD Annotated Anodyne C=CCN1C(=O)N2C[C@H](CC)N=C2c2[nH]c(-c3cc(OC)nn3C)nc21 ZINC000072109779 FD Annotated Mild O=C1NCCN1c1ccc(S(=O)(=O)Oc2ccccc2[N+](=O)[O-])cc1 ZINC000072110329 FD Annotated Bother C1COCCOCC23CC4CC(C2)CC(COCCOCCO1)(C4)O3 ZINC000072111443 FD Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)nnn1Nc1ccc(F)cc1 ZINC000072114747 FD Annotated Reactive COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN(C)C)OC3=O)c2c1 ZINC000072119957 FD Annotated Anodyne COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CN(C)C)OC3=O)c2c1 ZINC000072119958 FD Annotated Anodyne O=C(O)CCNc1sc2c(c1CC(=O)NNC(=S)S)CCCC2 ZINC000072121459 FD Annotated Reactive CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072121507 FD Annotated Anodyne CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1F ZINC000072121508 FD Annotated Anodyne CCN/C(=N\S(=O)(=O)c1c(C)nn(C)c1Cl)N1C[C@@H](CC)C=N1 ZINC000072123569 FD Annotated Mild CCN/C(=N\S(=O)(=O)c1c(C)nn(C)c1Cl)N1C[C@H](CC)C=N1 ZINC000072123570 FD Annotated Mild COCCN1CCN(CN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125887 FD Annotated Anodyne COCCN1CCN(CN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 ZINC000072125888 FD Annotated Anodyne O=C(NO)c1cnc(Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)nc1 ZINC000072126851 FD Annotated Bother C[C@H](Cn1nccn1)n1cnc2cc3c(cc2c1=O)O[C@@H]1CCCN1C3=O ZINC000072127943 FD Annotated Anodyne C[C@H](Cn1nccn1)n1cnc2cc3c(cc2c1=O)O[C@H]1CCCN1C3=O ZINC000072127944 FD Annotated Anodyne COc1ccccc1Nc1nc(N)n(-c2cc(NCCN(C)C)ncn2)n1 ZINC000072128689 FD Annotated Anodyne COC(=O)N[C@H](c1ccc(Br)cc1)C(C(=O)OC)C(=O)OC ZINC000072129998 FD Annotated Anodyne O=S1(=O)C[C@@H](N2CCN(CC3CC3)CC2)CN1CCc1ccccc1 ZINC000072134787 FD Annotated Anodyne O=S1(=O)C[C@H](N2CCN(CC3CC3)CC2)CN1CCc1ccccc1 ZINC000072134788 FD Annotated Anodyne COC1=C[C@H](C(=O)NCCNC(C)=O)[C@H](C)[C@H](c2ccccc2)CC1=O ZINC000072135655 FD Annotated Mild COC1=C[C@H](C(=O)NCCNC(C)=O)[C@@H](C)[C@H](c2ccccc2)CC1=O ZINC000072135656 FD Annotated Mild COC1=C[C@H](C(=O)NCCNC(C)=O)[C@@H](C)[C@@H](c2ccccc2)CC1=O ZINC000072135657 FD Annotated Mild Cc1ccc(CN2C[C@H](N3CCN(CC4CC4)CC3)CS2(=O)=O)cc1 ZINC000072135790 FD Annotated Anodyne Cc1ccc(CN2C[C@@H](N3CCN(CC4CC4)CC3)CS2(=O)=O)cc1 ZINC000072135791 FD Annotated Anodyne COC(=O)[C@@H]1O[C@H](c2cc(OC)c(C)c(OC)c2O)[C@H](C)[C@H](O)[C@@H]1C ZINC000072136949 FD Annotated Anodyne O=C(Nc1ccc(Cl)cc1)OC[C@@H]1CSCCS(=O)(=O)N1 ZINC000072138331 FD Annotated Anodyne O=C(Nc1ccc(Cl)cc1)OC[C@H]1CSCCS(=O)(=O)N1 ZINC000072138332 FD Annotated Anodyne COC(=O)C1CCN([C@H]2CN(Cc3ccc(C)cc3)S(=O)(=O)C2)CC1 ZINC000072139546 FD Annotated Anodyne COC(=O)C1CCN([C@@H]2CN(Cc3ccc(C)cc3)S(=O)(=O)C2)CC1 ZINC000072139547 FD Annotated Anodyne O=C1c2cc3ncn(CCn4cccn4)c(=O)c3cc2O[C@@H]2CCCN12 ZINC000072139586 FD Annotated Anodyne O=C1c2cc3ncn(CCn4cccn4)c(=O)c3cc2O[C@H]2CCCN12 ZINC000072139587 FD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)OCCCO[N+](=O)[O-] ZINC000072142315 FD Annotated Anodyne Cc1ccc(/N=N/c2c(C)nc3sc(S(N)(=O)=O)nn3c2=O)cc1 ZINC000072142836 FD Annotated Clean Cc1ccc(C(=O)N2CCC[C@]3(C2)C(=O)N(C)c2ccccc23)c(=O)[nH]1 ZINC000072164244 FD Annotated Anodyne Cc1ccc(C(=O)N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)c(=O)[nH]1 ZINC000072164245 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccon1)C(=O)N1CCC[C@H]1O3 ZINC000072170719 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1ccon1)C(=O)N1CCC[C@@H]1O3 ZINC000072170720 FD Annotated Anodyne Nn1c(S)nnc1Cc1c(NCCC(=O)O)sc2c1CCCC2 ZINC000072170765 FD Annotated Anodyne COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(O)cc2OC)ccc1O ZINC000072172241 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1ccnc1)C(=O)N1CCC[C@H]1O3 ZINC000072174881 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1ccnc1)C(=O)N1CCC[C@@H]1O3 ZINC000072174882 FD Annotated Anodyne O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccco1 ZINC000072174925 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1c[nH]cn1)C(=O)N1CCC[C@H]1O3 ZINC000072174970 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCc1c[nH]cn1)C(=O)N1CCC[C@@H]1O3 ZINC000072174971 FD Annotated Anodyne Cc1nccn1CCN1COc2cc3c(cc2C1=O)O[C@@H]1CCCN1C3=O ZINC000072174996 FD Annotated Anodyne Cc1nccn1CCN1COc2cc3c(cc2C1=O)O[C@H]1CCCN1C3=O ZINC000072174997 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cccn1)C(=O)N1CCC[C@H]1O3 ZINC000072175006 FD Annotated Anodyne O=C1c2cc3c(cc2OCN1CCn1cccn1)C(=O)N1CCC[C@@H]1O3 ZINC000072175007 FD Annotated Anodyne O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccncc1 ZINC000072175167 FD Annotated Anodyne O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1ccoc1 ZINC000072175662 FD Annotated Anodyne O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCCN1C(=O)c1cccnc1 ZINC000072175663 FD Annotated Anodyne O=C(O)[C@H](CO)N/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000072176570 FD Annotated Clean NS(=O)(=O)c1ccc2nc3n(c2c1)N=S=C3Sc1ccccc1 ZINC000072176752 FD Annotated Anodyne COC(=O)/C=C1/C(=O)NC(=S)N1/N=C/c1c[nH]nc1-c1ccc(C)cc1 ZINC000072177791 FD Annotated Mild O=C(Cc1cnc(=O)[nH]c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072178514 FD Annotated Reactive Cc1nc2sc(S(N)(=O)=O)nn2c(=O)c1/N=N/c1ccccc1 ZINC000072178573 FD Annotated Clean COC(=O)c1cccc2c1/C(=N/NC(=O)Cc1ccc(O)cc1)C(=O)N2 ZINC000072178890 FD Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1O)C2 ZINC000072179191 FD Annotated Clean O=C(Cc1cc(O)n[nH]1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072179551 FD Annotated Reactive O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(O)c1)C2 ZINC000072179821 FD Annotated Bother CCOP(=O)(OCC)OCCCN1C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1=O ZINC000072181396 FD Annotated Anodyne Cc1ccc(/C(=N/O)NCCN2CCOCC2)c(OCc2ccccn2)n1 ZINC000072181425 FD Annotated Mild O=C(Cc1ccc(=O)[nH]c1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 ZINC000072181761 FD Annotated Reactive CN1C[C@@H](NS(=O)(=O)N(C)C)C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]21 ZINC000072186814 FD Annotated Clean N#CC1(n2cc([C@@H](NC(=O)N3CCOCC3)C3CCCCC3)nn2)CC1 ZINC000072316560 FD Annotated Mild COCCOc1ccc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 ZINC000072316912 FD Annotated Anodyne CCOCCCNC(=O)Cn1cc(C#N)c2cc(C(=O)OCC)cnc21 ZINC000072322904 FD Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCCN(CC)CC ZINC000072322910 FD Annotated Mild Cc1csc2cc(C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cnc12 ZINC000072323071 FD Annotated Anodyne CC(=O)c1cc2ncc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2[nH]1 ZINC000072323354 FD Annotated Anodyne CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NC[C@@H]1CCCO1 ZINC000072323525 FD Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NC[C@H]1CCCO1 ZINC000072323526 FD Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1cccnc1 ZINC000072323539 FD Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)NCc1ccco1 ZINC000072323541 FD Annotated Mild CCOC(=O)c1cnc2c(c1)c(C#N)cn2CC(=O)Nc1nnc(C)s1 ZINC000072323595 FD Annotated Mild Cc1nn(C)cc1C(=O)N1CCCn2nc(CN3CC[C@H](F)C3)cc2C1 ZINC000072409976 FD Annotated Anodyne CCOCc1nc2c(c(N3CCCn4nc(C)cc4C3)n1)CCNCC2 ZINC000072425244 FD Annotated Anodyne CCc1nc2c(c(NC3CC3)n1)CCN(C(=O)N1CCN(C)CC1)CC2 ZINC000072434319 FD Annotated Anodyne C1CCc2nnc(CNc3nc(C4CC4)nc4c3CCNCC4)n2CC1 ZINC000072438312 FD Annotated Anodyne Cc1n[nH]c(C)c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCc2c[nH]cn2)C1 ZINC000072447940 FD Annotated Anodyne CCCN1CC2(CCN(C)CC2)C[C@@H]1C(=O)NCCn1nc(C)nc1C ZINC000072477586 FD Annotated Anodyne CCCN1CC2(CCN(C)CC2)C[C@H]1C(=O)NCCn1nc(C)nc1C ZINC000072477587 FD Annotated Anodyne Cc1ncsc1CCN(C)Cc1cc2n(n1)CCN(S(C)(=O)=O)C2 ZINC000072477915 FD Annotated Anodyne O=C(CCc1n[nH]c(Cl)n1)N[C@H]1CC[C@H]1NC1Cc2ccccc2C1 ZINC000072480585 FD Annotated Anodyne Cc1csc2ncn(CC(=O)N/N=C/c3ccc(C#N)cc3)c(=O)c12 ZINC000073138156 FD Annotated Reactive CSCC[C@H](N)C(=O)NNC(=O)c1cc2c([nH]c3ccccc32)c(C)n1 ZINC000073139850 FD Annotated Reactive C[C@H](Cn1cccn1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O ZINC000073142296 FD Annotated Bother NCCCN1C(=O)N(CC(=O)O)C(=O)C1(c1ccccc1)c1ccccc1 ZINC000073156921 FD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C#N)nc4)cc3OC[C@@H]12 ZINC000073157662 FD Annotated Mild O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1ccc(O)cc1 ZINC000073158627 FD Annotated Reactive OCCNC(=S)Nc1ccc(-c2nnc(Sc3ncccn3)o2)cc1 ZINC000073161003 FD Annotated Anodyne O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1cccc(O)c1 ZINC000073161187 FD Annotated Reactive CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cnc(C#N)nc4)cc3OC[C@@H]12 ZINC000073163135 FD Annotated Mild COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCO[C@H](CO)C3)c2c1 ZINC000073163270 FD Annotated Anodyne COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCO[C@@H](CO)C3)c2c1 ZINC000073163273 FD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(N)nc4)cc3OC[C@@H]12 ZINC000073163548 FD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cncc(C#N)c4)cc3OC[C@@H]12 ZINC000073164372 FD Annotated Mild CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C#N)cn4)cc3OC[C@@H]12 ZINC000073164377 FD Annotated Mild Cc1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)c(C)c1 ZINC000073164403 FD Annotated Anodyne Cc1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)c(C)c1 ZINC000073164406 FD Annotated Anodyne Cc1ccc([S@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1C ZINC000073164410 FD Annotated Anodyne Cc1ccc([S@@]2=NS(=O)(=O)c3ccc(S(N)(=O)=O)cc32)cc1C ZINC000073164412 FD Annotated Anodyne C[n+]1ccn(CCCOc2ccc(OCCCn3cc[n+](C)c3)cc2)c1 ZINC000073165305 FD Annotated Anodyne COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000073166948 FD Annotated Bother COc1ccc2c(c1)CCN(S(N)(=O)=O)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000073166953 FD Annotated Bother COc1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CNC(C)=O)OC(=O)N32)cn1 ZINC000073167603 FD Annotated Anodyne CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C#N)nc4)cc3OC[C@H]12 ZINC000073195599 FD Annotated Mild O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1ccccc1O ZINC000073195615 FD Annotated Reactive CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4cc(C#N)ccn4)cc3OC[C@@H]12 ZINC000073195822 FD Annotated Mild Cn1cc(-c2ccc3nnc(Cc4cccc5c(=O)[nH]ccc45)n3n2)cn1 ZINC000073196086 FD Annotated Anodyne NCCNc1cc2c(=O)c(C(=O)NCCO)cn(C3CC3)c2cc1Cl ZINC000073196193 FD Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)/C=C/CO)C=C1COC(=O)[C@@]12O ZINC000073196779 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(CC/C=C2\SC(=O)N(CCN)C2=O)cc1 ZINC000073197203 FD Annotated Anodyne COC(=O)Cc1ccc(OCc2cn(Cc3cnc(C)nc3N)nn2)cc1 ZINC000073197601 FD Annotated Anodyne CCOC(=O)c1ccc(OCc2cn(Cc3cnc(C)nc3N)nn2)cc1 ZINC000073197973 FD Annotated Anodyne Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN(C)C)nc1 ZINC000073198594 FD Annotated Anodyne CCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)o1 ZINC000073198633 FD Annotated Anodyne CCCCC(=O)N1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 ZINC000073199263 FD Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)cc1 ZINC000073199570 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4CCN3C(=O)C2=O)cc1 ZINC000073219102 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3c4ccccc4CCN3C(=O)C2=O)cc1 ZINC000073219105 FD Annotated Anodyne O=C(COc1ccc(/C=C2/C(=O)NC(=O)N=C2O)cc1)Nc1ccccn1 ZINC000073224345 FD Annotated Clean CC1=C2c3ccccc3N(C(=O)/C=C/C(=O)O)[C@H]2[C@H]2C(=O)OC(=O)[C@H]2C1 ZINC000073242225 FD Annotated Reactive O=C(O)C[C@@H]1N[C@H](/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC1=O ZINC000073243024 FD Annotated Anodyne C=C1CC[C@H]2[C@@](C)([C@H](O)C[C@@H](O)[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O ZINC000073275153 FD Annotated Mild CC(=O)NCc1noc(-c2cc(F)c(N3CCOCC3)c(F)c2F)n1 ZINC000073278198 FD Annotated Anodyne CC(=O)NCc1noc(-c2c(F)c(F)c(N3CCOCC3)c(F)c2F)n1 ZINC000073280739 FD Annotated Anodyne c1ccn(-c2nnn(CCCCCCCn3nnc(-n4cccc4)n3)n2)c1 ZINC000073294229 FD Annotated Anodyne C[C@]12NC(=C(C#N)C#N)C(C#N)=C3NC(N)=C(C#N)C(=C31)Oc1ccccc12 ZINC000073297652 FD Annotated Reactive C[C@@]12NC(=C(C#N)C#N)C(C#N)=C3NC(N)=C(C#N)C(=C31)Oc1ccccc12 ZINC000073297654 FD Annotated Reactive CN1CCN(C(=O)C(C)(C)c2ccc(S(=O)(=O)/C=C/C#N)cc2)CC1 ZINC000073298250 FD Annotated Reactive O=C(N/N=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccc2c(c1)OCO2 ZINC000073298752 FD Annotated Reactive O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1ccco1 ZINC000073308688 FD Annotated Anodyne O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@@H]1c1ccco1 ZINC000073308689 FD Annotated Anodyne Cc1nc2ccccn2c1C(=O)N/N=C/c1c(-c2ccccc2)no[n+]1[O-] ZINC000073313117 FD Annotated Reactive c1ccn(-c2nnn(CCCCCCn3nnc(-n4cccc4)n3)n2)c1 ZINC000073314667 FD Annotated Anodyne c1ccn(-c2nnn(Cc3ccc(Cn4nnc(-n5cccc5)n4)cc3)n2)c1 ZINC000073314668 FD Annotated Anodyne COC(=O)[C@H]1N[C@@H](C(=O)OC)[C@@]23CCC[C@H]2CC[C@]1(C(OC)OC)C3 ZINC000073335829 FD Annotated Anodyne COC(=O)c1cc(OS(=O)(=O)C(F)(F)F)c(=O)n2c1CCCC2 ZINC000073370045 FD Annotated Unstable NNC(=S)N/N=C(\C[C@@H]1OC(=O)c2ccccc21)c1ccccc1O ZINC000073387289 FD Annotated Mild NNC(=S)N/N=C(\C[C@H]1OC(=O)c2ccccc21)c1ccccc1O ZINC000073387292 FD Annotated Mild COC(=O)[C@@H](C)CC(=O)NC(=O)c1coc(Cc2ccccc2)cc1=O ZINC000073391077 FD Annotated Anodyne CC(=O)NCCNC(=O)C[C@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373576 FD Annotated Anodyne CC(=O)NCCNC(=O)C[C@@]1(C)N=C(c2cccc(Cl)c2)N(C)O1 ZINC000074373579 FD Annotated Anodyne O=C1COCc2cc(Br)ccc2N1CCN1CCOCC1 ZINC000074375467 FD Annotated Anodyne O=C(/C=C/c1ccccc1)N1CCn2c(nnc2C(=O)N2CCCCC2)C1 ZINC000074376657 FD Annotated Anodyne O=C(c1cnc(N2CCN(Cc3ccccc3)C2=O)o1)N1CCOCC1 ZINC000074379718 FD Annotated Anodyne CN(C)CCNC(=O)c1coc(N2CCN(Cc3ccccc3)C2=O)n1 ZINC000074379896 FD Annotated Anodyne COc1ccc(CNC(=O)c2csc(N3CCNC3=O)n2)cc1OC ZINC000074380084 FD Annotated Anodyne CC(C)NC(=O)C1=COC2=NC(=O)N(Cc3cccc(C#N)c3)CCN12 ZINC000074380157 FD Annotated Anodyne CCN(C)C(=O)C1=COC2=NC(=O)N(Cc3cccc(C#N)c3)CCN12 ZINC000074380191 FD Annotated Anodyne Cc1ccccc1CN1CCN2C=C(C(=O)NCC3CC3)OC2=NC1=O ZINC000074385250 FD Annotated Anodyne Cc1nnc(SCC(=O)N2CCN(c3ncccn3)CC2)n1C1CC1 ZINC000007533702 FD Annotated Anodyne Cc1nn(CC(=O)N2CCCC[C@@H]2C)c(C)c1S(=O)(=O)NC(C)(C)C ZINC000007813836 FD Annotated Anodyne Cc1nn(CC(=O)N2CCCC[C@H]2C)c(C)c1S(=O)(=O)NC(C)(C)C ZINC000007813837 FD Annotated Anodyne CCCc1nnc(NC(=O)[C@H](C)N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)s1 ZINC000007991188 FD Annotated Anodyne CO[C@@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@H](C)NC(=O)C/C=C\[C@H]1C ZINC000007998172 FD Annotated Anodyne CO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@H](C)C(=O)OC[C@H]1C ZINC000007998177 FD Annotated Anodyne CO[C@@H]1/C=C\CC(=O)N2CCC[C@@H]2C(=O)OC[C@@H](C)C(=O)OC[C@H]1C ZINC000007998180 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000007998214 FD Annotated Anodyne CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C ZINC000007998219 FD Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C\[C@H]1C ZINC000007998239 FD Annotated Anodyne CO[C@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C ZINC000007998250 FD Annotated Anodyne CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)[C@@H](C)COC(=O)CCC[C@H]1C ZINC000007998264 FD Annotated Anodyne COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H](O)COCc1ccco1)OC ZINC000007998428 FD Annotated Mild CCOC(=O)C1=NO[C@@]2(C=C(Br)C3(OCCCO3)[C@H]3O[C@H]32)C1 ZINC000007998550 FD Annotated Anodyne C[C@@H](c1ccccc1)N1C(=O)[C@@H]2CC=C3C(=O)[C@H]4O[C@H]4[C@@H](O)[C@H]3[C@H]2C1=O ZINC000007998690 FD Annotated Mild C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=O)C[C@@H](O)[C@@H](O)[C@H]32)C1=O ZINC000007998726 FD Annotated Anodyne O=C1C=C[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@H]12 ZINC000007998766 FD Annotated Mild C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](CC[C@@H]3C(=O)C[C@@H](O)[C@@H](O)[C@H]32)C1=O ZINC000007998801 FD Annotated Anodyne O=C1C[C@@H](N2CCC[C@H](CO)C2)C(=O)N1c1ccc(Br)cc1 ZINC000075271458 FD Annotated Anodyne O=C(NC[C@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O)C1CC1 ZINC000077263031 FD Annotated Anodyne Nc1c(C(=O)CSc2nc3ccccc3o2)c(=O)[nH]c(=O)n1C1CC1 ZINC000008230104 FD Annotated Anodyne C[C@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)[C@@H]1C ZINC000008346150 FD Annotated Anodyne C[C@H]1CCC[C@@H](NC(=O)NC(=O)COC(=O)c2ccc(O)cc2O)[C@@H]1C ZINC000008346152 FD Annotated Anodyne CCO/N=C(/c1nonc1N)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000008385590 FD Annotated Mild CN(CC(=O)N[C@H]1C=CS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1 ZINC000008390126 FD Annotated Anodyne CN(CC(=O)N[C@@H]1C=CS(=O)(=O)C1)Cc1ccc(Cl)c(Cl)c1 ZINC000008390130 FD Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccccc2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082051864 FD Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CC#N)nc(N(C)CCO)n2)cc1 ZINC000082066437 FD Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CC#N)nc(N(C)CCO)n2)cc1 ZINC000082066438 FD Annotated Mild OCCOCCNc1cncc(Oc2cccc(N3CCOCC3)c2)n1 ZINC000082068481 FD Annotated Anodyne CCc1nc(C(=O)NCc2ccc(C(=O)N3CCNCC3)cc2)cs1 ZINC000082069825 FD Annotated Anodyne CCc1nc(C(=O)N[C@H](C(=O)OCCOCCN(C)C)C(C)C)cs1 ZINC000082070346 FD Annotated Anodyne CCc1nc(C(=O)N[C@@H](C(=O)OCCOCCN(C)C)C(C)C)cs1 ZINC000082070347 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCCNCC3)co2)cc1 ZINC000082070651 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N3CCCNCC3)co2)cc1 ZINC000082070652 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N2CCCNCC2)co1 ZINC000082070673 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)N2CCCNCC2)co1 ZINC000082070674 FD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCN)cs1 ZINC000082070740 FD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCN)cs1 ZINC000082070741 FD Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082070968 FD Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1csc(-c2ccccc2)n1 ZINC000082070969 FD Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070995 FD Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2ccc(C)cc2)n1 ZINC000082070996 FD Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071019 FD Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071020 FD Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2)n1)N[C@@H]1CCCCNC1=O ZINC000082071896 FD Annotated Anodyne O=C(CNC(=O)c1csc(-c2ccccc2)n1)N[C@H]1CCCCNC1=O ZINC000082071897 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)N[C@@H]3CCCCNC3=O)co2)cc1 ZINC000082071944 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)NCC(=O)N[C@H]3CCCCNC3=O)co2)cc1 ZINC000082071946 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)N[C@@H]2CCCCNC2=O)co1 ZINC000082071967 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)NCC(=O)N[C@H]2CCCCNC2=O)co1 ZINC000082071971 FD Annotated Anodyne CCc1nc(C(=O)NCC(=O)NCc2cccc(OC)c2OC)cs1 ZINC000082071984 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082072856 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000082072861 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082072864 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000082072865 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@@H]2C(=O)OCCOCCN(C)C)cs1 ZINC000082073502 FD Annotated Anodyne CCc1nc(C(=O)N2CCC[C@H]2C(=O)OCCOCCN(C)C)cs1 ZINC000082073503 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCCNCC3)co2)cc1 ZINC000082073881 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)N2CCCNCC2)co1 ZINC000082073907 FD Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCN)cs1 ZINC000082073963 FD Annotated Anodyne Cc1ccc(-c2nc(C(=O)OCCOCCN3CCNCC3)co2)cc1 ZINC000082074856 FD Annotated Anodyne Cc1ccccc1-c1nc(C(=O)OCCOCCN2CCNCC2)co1 ZINC000082074879 FD Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@](CO)(CCO)O2 ZINC000082077799 FD Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@](CO)(CCO)O2 ZINC000082077800 FD Annotated Anodyne C[C@@H]1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@@](CO)(CCO)O2 ZINC000082077802 FD Annotated Anodyne C[C@@H]1CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@]12CC[C@@](CO)(CCO)O2 ZINC000082077806 FD Annotated Anodyne O=C(c1coc(-c2cccs2)n1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000082081414 FD Annotated Anodyne O=C(c1coc(-c2cccs2)n1)N1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000082081415 FD Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCNCC1 ZINC000082082374 FD Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCNCC1 ZINC000082082375 FD Annotated Anodyne Cc1cc(C)cc(N2CCN(C(=O)CCn3ccccc3=O)CC2=O)c1 ZINC000082083432 FD Annotated Anodyne C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN ZINC000082083449 FD Annotated Bother C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN ZINC000082083452 FD Annotated Bother Cc1cc(Nc2ccc3c(n2)C(=O)N(C/C(O)=N/CCCO)C3)n(C)n1 ZINC000082083513 FD Annotated Mild O=C1c2nc(N3CCOCC3)ccc2CN1C/C(O)=N/CC1CCOCC1 ZINC000082083753 FD Annotated Mild CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)O ZINC000082084151 FD Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)O ZINC000082084152 FD Annotated Anodyne CC(=O)NCSC[C@@H](CO)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084153 FD Annotated Anodyne CC(=O)NCSC[C@H](CO)NC(=O)c1coc(-c2cccs2)n1 ZINC000082084154 FD Annotated Anodyne O=C(NCC(=O)N1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084856 FD Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)OCCN)cs2)c1 ZINC000082084869 FD Annotated Anodyne O=C(NCC(=O)N1CCNCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084907 FD Annotated Anodyne CCC#CCOC(=O)CNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082084935 FD Annotated Mild CN(C)CCOCCOC(=O)CNC(=O)c1coc(-c2cccs2)n1 ZINC000082084959 FD Annotated Anodyne NCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085282 FD Annotated Anodyne NCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000082085283 FD Annotated Anodyne CN(CC(=O)OCCN)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082085691 FD Annotated Bother CN(CC(=O)OCCN)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082085735 FD Annotated Bother NCCN(CCO)CCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082086248 FD Annotated Anodyne O=C(OCCOCCN1CCNCC1)c1coc(-c2cccs2)n1 ZINC000082086336 FD Annotated Anodyne NCCN(CCO)CCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082087444 FD Annotated Anodyne CCn1nc(C)c(CNC(=O)c2cn(CC[C@@H]3CCCCN3)nn2)c1C ZINC000082092192 FD Annotated Anodyne CCn1nc(C)c(CNC(=O)c2cn(CC[C@H]3CCCCN3)nn2)c1C ZINC000082092194 FD Annotated Anodyne COc1cc2nc(NCCCCO)nc(NC[C@H](C)O)c2cc1OC ZINC000082129218 FD Annotated Anodyne COc1cc2nc(NCCCCO)nc(NC[C@@H](C)O)c2cc1OC ZINC000082129220 FD Annotated Anodyne COc1cc2nc(NC[C@H](O)CO)nc(NCCC(C)C)c2cc1OC ZINC000082130765 FD Annotated Anodyne COc1cc2nc(NC[C@@H](O)CO)nc(NCCC(C)C)c2cc1OC ZINC000082130766 FD Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCN(C(C)=O)CC2)c(-c2ccccc2)n1 ZINC000082133473 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1 ZINC000082134050 FD Annotated Anodyne CCN(C)c1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082135008 FD Annotated Bother CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136077 FD Annotated Bother CCCCNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082137399 FD Annotated Anodyne CCCCNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 ZINC000082137401 FD Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 ZINC000082141416 FD Annotated Anodyne CCN(C)c1ncc(C(=O)NCCNC(C)=O)c(-c2ccc(F)cc2)n1 ZINC000082141654 FD Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)C1 ZINC000082142405 FD Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CC3)c(-c3ccco3)n2)C1 ZINC000082142407 FD Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)CC1 ZINC000082142520 FD Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)C1 ZINC000082142526 FD Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCC3)c(-c3ccco3)n2)C1 ZINC000082142528 FD Annotated Anodyne CC(=O)NCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1ccco1 ZINC000082142809 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 ZINC000082143088 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082143093 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 ZINC000082143096 FD Annotated Anodyne CCC[C@@H]1CN(Cc2cnc3c(S(C)(=O)=O)cnn3c2)C[C@H]1N(C)C ZINC000082146151 FD Annotated Anodyne CNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1 ZINC000082149339 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150112 FD Annotated Bother CCN(C)c1ncc(C(=O)NCCOC)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150118 FD Annotated Bother CCCCNC(=O)OC[C@H](O)Cn1cc(CN(C)CCC(C)C)nn1 ZINC000082150462 FD Annotated Anodyne CCCCNC(=O)OC[C@@H](O)Cn1cc(CN(C)CCC(C)C)nn1 ZINC000082150463 FD Annotated Anodyne CCOC(=O)c1cn(CC)c2ccc(C#CCN3CCNCC3)cc2c1=O ZINC000082150566 FD Annotated Mild COC(=O)c1cc(C(N)=O)nc2cc(N)c(I)cc12 ZINC000082151271 FD Annotated Anodyne O=C(Cn1cnc2cccnc2c1=O)[C@H]1NCC[C@@H]1OCc1ccccc1 ZINC000082152319 FD Annotated Anodyne NC(=O)c1cc2c(cc1[N+](=O)[O-])[n+]([O-])c1n2CCc2c-1cccc2[N+](=O)[O-] ZINC000082153066 FD Annotated Bother CN(C)CCCN1C(=O)c2cccc3c2c(cc2nnn(CCO)c23)C1=O ZINC000082153198 FD Annotated Anodyne O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1ccccc1OC(F)(F)F ZINC000082153844 FD Annotated Bother O=C(N[C@@H]1COc2nc([N+](=O)[O-])cn2C1)c1cccc(OC(F)(F)F)c1 ZINC000082153846 FD Annotated Bother N#Cc1ncc(Nc2cc3[nH]cnc3cn2)nc1OCC1CCNCC1 ZINC000082154505 FD Annotated Mild CCCCCCCC(=O)OC[C@H](O)Cn1cc(CN2CCOCC2)nn1 ZINC000082156099 FD Annotated Mild CCCCCCCC(=O)OC[C@@H](O)Cn1cc(CN2CCOCC2)nn1 ZINC000082156101 FD Annotated Mild O=c1[nH]c2ncc(-c3cnc4nc[nH]c4c3)nc2n1CC1CCOCC1 ZINC000082156629 FD Annotated Anodyne CC(C)CCN(C)Cc1cn(C[C@H](O)COC(=O)c2ccccc2)nn1 ZINC000082156720 FD Annotated Anodyne CC(C)CCN(C)Cc1cn(C[C@@H](O)COC(=O)c2ccccc2)nn1 ZINC000082156722 FD Annotated Anodyne COc1cc(Cc2n[nH]c(=S)n2C)c(S(=O)(=O)N(C)C)cc1OC ZINC000082156752 FD Annotated Anodyne CCN(C)C(=O)c1cnc(N2CCOCC2)nc1-c1ccc(C#N)cc1 ZINC000082158955 FD Annotated Mild CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(C#N)cc1 ZINC000082159893 FD Annotated Mild COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 ZINC000082195966 FD Annotated Anodyne COCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082195977 FD Annotated Anodyne CN(C)C(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccccc2)nn3C)C1 ZINC000082196053 FD Annotated Anodyne CCOCCCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082203366 FD Annotated Anodyne CCOCCCNc1nc(N2CCN(CC(=O)OCC)CC2)ncc1C ZINC000082203397 FD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCCSCC)n2)CC1 ZINC000082203399 FD Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1NCc1ccccn1 ZINC000082203583 FD Annotated Anodyne Cc1cnc(N2CCN(c3ncccn3)CC2)nc1N[C@@H]1CCSC1=O ZINC000082203591 FD Annotated Anodyne CCOC(=O)[C@H](C)Nc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082204155 FD Annotated Anodyne CCOC(=O)CCNc1nc(N2CCN(c3ncccn3)CC2)ncc1C ZINC000082204157 FD Annotated Anodyne COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)CCN2 ZINC000082204440 FD Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204493 FD Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204498 FD Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204501 FD Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204506 FD Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)CCN3)cc1 ZINC000082204516 FD Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)CCN2 ZINC000082204564 FD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)CCN3)cc1 ZINC000082204600 FD Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)CCN2 ZINC000082204667 FD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)CCN3)cc1 ZINC000082204695 FD Annotated Anodyne O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)CCN2)c1ccccc1 ZINC000082204838 FD Annotated Anodyne COCCn1c(=O)c(NCC(C)C)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205174 FD Annotated Anodyne COCCn1c(=O)c(NCC2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205178 FD Annotated Anodyne C=CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205325 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC=C)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205327 FD Annotated Mild CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205542 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCC)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205544 FD Annotated Mild CC(C)n1c(=O)c(NC(=O)C2CC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205612 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205682 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205728 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205859 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205861 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccco2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205956 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205960 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205965 FD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082205998 FD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206019 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206118 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206121 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206128 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206130 FD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206135 FD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206137 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206143 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccsc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206144 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206460 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206462 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](C(C)C)N2 ZINC000082206467 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](C(C)C)N2 ZINC000082206468 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206474 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206476 FD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206507 FD Annotated Anodyne CC(C)CNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206509 FD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206514 FD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCC3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206516 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206688 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206690 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206718 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCOCC)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206720 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082206731 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)c2ccncc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082206733 FD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206793 FD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082206796 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206798 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206799 FD Annotated Mild CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](C(C)C)N2 ZINC000082206821 FD Annotated Anodyne CCOCCC(=O)Nc1c2n(c(=O)n(C(C)C)c1=O)C[C@@H](C(C)C)N2 ZINC000082206823 FD Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206831 FD Annotated Anodyne CC(C)[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(C(C)C)c2=O)N1 ZINC000082206834 FD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](C(C)C)N2 ZINC000082206890 FD Annotated Anodyne CC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](C(C)C)N2 ZINC000082206891 FD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@H](C)N3)cc1 ZINC000082206964 FD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)C[C@@H](C)N3)cc1 ZINC000082206965 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C)N2 ZINC000082207008 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207010 FD Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@H](C)N2 ZINC000082207020 FD Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207022 FD Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](C)N2 ZINC000082207137 FD Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](C)N2 ZINC000082207139 FD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@@H](C)N3)cc1 ZINC000082207150 FD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](C)N3)cc1 ZINC000082207153 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207341 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccc(O)cc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207346 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207355 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(O)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207358 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207363 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(CCOC)c2=O)N1 ZINC000082207365 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(CCOC)c2=O)N1 ZINC000082207374 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(CCOC)c2=O)N1 ZINC000082207376 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207379 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC)c3)c(=O)n(CCOC)c2=O)N1 ZINC000082207382 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccsc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207444 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccsc3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207446 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207494 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082207496 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(CCOC)c2=O)N1 ZINC000082207721 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(CCOC)c2=O)N1 ZINC000082207722 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@H](CC)N2 ZINC000082207776 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)C[C@@H](CC)N2 ZINC000082207778 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207832 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCC3CCCCC3)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207834 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@@H](CC)N2 ZINC000082207856 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](CC)N2 ZINC000082207859 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207869 FD Annotated Anodyne CC[C@H]1Cn2c(c(NCCC(C)(C)C)c(=O)n(CC(=O)OC)c2=O)N1 ZINC000082207872 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(CCOC)c2=O)N1 ZINC000082208131 FD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)c3ccccc3)c(=O)n(CCOC)c2=O)N1 ZINC000082208133 FD Annotated Anodyne CC[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208317 FD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccncc3)c2=O)N1 ZINC000082208318 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@@H](CC)N2 ZINC000082208321 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](CC)N2 ZINC000082208323 FD Annotated Mild CC[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208430 FD Annotated Anodyne CC[C@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 ZINC000082208432 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@@H](CC)N2 ZINC000082208435 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC)N2 ZINC000082208438 FD Annotated Mild NCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082208796 FD Annotated Anodyne NCCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082208799 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209222 FD Annotated Anodyne CC(C)n1c(=O)c(NC(=O)CN)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082209399 FD Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209553 FD Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209554 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209561 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209564 FD Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209574 FD Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(CCN)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209575 FD Annotated Anodyne COCCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209666 FD Annotated Anodyne COCCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209667 FD Annotated Anodyne COCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209679 FD Annotated Anodyne COCCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209681 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209758 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209760 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209769 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209771 FD Annotated Anodyne C=CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082209926 FD Annotated Mild C=CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209935 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC=C)c1=O)[C@H](c1ccccc1)CN2 ZINC000082209937 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CC=C)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082209940 FD Annotated Mild COCCn1c(=O)c(NC(C)=O)c2n(c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082210345 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210418 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210420 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210424 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCOC)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210427 FD Annotated Mild CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@H](c1ccccc1)CN2 ZINC000082210479 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210481 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(CCC)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210484 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(CCC)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210487 FD Annotated Mild C=CCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082210726 FD Annotated Mild C=CCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082210727 FD Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082210736 FD Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCO ZINC000082210740 FD Annotated Anodyne C[C@@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN)c(=O)n21 ZINC000082211122 FD Annotated Anodyne C[C@H]1CNc2c(NCc3cc4ccccc4o3)c(=O)n(CCN)c(=O)n21 ZINC000082211123 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211181 FD Annotated Anodyne COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211182 FD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211207 FD Annotated Anodyne COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211209 FD Annotated Anodyne C[C@@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211320 FD Annotated Anodyne C[C@H]1CNc2c(NCc3ccoc3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082211322 FD Annotated Anodyne C=CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082211488 FD Annotated Mild C=CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211491 FD Annotated Mild C=CCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082211503 FD Annotated Mild C=CCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211505 FD Annotated Mild CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](C)CN2 ZINC000082211608 FD Annotated Anodyne CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](C)CN2 ZINC000082211610 FD Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@H](C)CN2 ZINC000082211681 FD Annotated Anodyne Cc1ncsc1CCn1c(=O)c(NCC2CC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082211684 FD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)[C@H](C)CN3)cc1 ZINC000082211959 FD Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(CCOC)c2=O)[C@@H](C)CN3)cc1 ZINC000082211960 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082212018 FD Annotated Anodyne CCCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212020 FD Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212031 FD Annotated Anodyne CCCn1c(=O)c(NCc2ccc(C(=O)OC)cc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212032 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@H](C)CN2 ZINC000082212063 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212064 FD Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 ZINC000082212159 FD Annotated Anodyne CC(C)n1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212160 FD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@H](C)CN3)cc1 ZINC000082212170 FD Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)[C@@H](C)CN3)cc1 ZINC000082212172 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@H](C)CN2 ZINC000082212357 FD Annotated Anodyne COCCn1c(=O)c(NC(=O)CCC2CCCC2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212359 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@H](C)CN2 ZINC000082212395 FD Annotated Anodyne CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)[C@@H](C)CN2 ZINC000082212397 FD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212492 FD Annotated Anodyne C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccncc3)c(=O)n21 ZINC000082212495 FD Annotated Anodyne C[C@@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212668 FD Annotated Anodyne C[C@H]1CNc2c(NC(=O)C3CC3)c(=O)n(Cc3ccc(F)cc3)c(=O)n21 ZINC000082212669 FD Annotated Anodyne C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](C)CN2 ZINC000082212671 FD Annotated Mild C=CCC(=O)Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](C)CN2 ZINC000082212673 FD Annotated Mild Cc1cnc(N2CCN(c3ncccn3)CC2)nc1N[C@H]1CCSC1=O ZINC000082212913 FD Annotated Anodyne CCOC(=O)CN1CCN(c2ncc(C)c(NCc3ccccn3)n2)CC1 ZINC000082213006 FD Annotated Anodyne CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 ZINC000082216485 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@H](C(C)C)N2 ZINC000082224156 FD Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(CCOC)c1=O)C[C@@H](C(C)C)N2 ZINC000082224159 FD Annotated Anodyne COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224172 FD Annotated Anodyne COCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224173 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@@H](C(C)C)N2 ZINC000082224211 FD Annotated Anodyne COC(=O)Cn1c(=O)c(NCc2ccccc2)c2n(c1=O)C[C@H](C(C)C)N2 ZINC000082224214 FD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O ZINC000082231519 FD Annotated Anodyne CCOC(=O)Cc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O ZINC000082231520 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000082231536 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@@H](C)O[C@H](C)C3)ccc2[nH]c1=O ZINC000082231537 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3C[C@H](C)O[C@@H](C)C3)ccc2[nH]c1=O ZINC000082231538 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCCC[C@@H]3CCO)ccc2[nH]c1=O ZINC000082231539 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCCC[C@H]3CCO)ccc2[nH]c1=O ZINC000082231540 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@H](CO)C3)ccc2[nH]c1=O ZINC000082232176 FD Annotated Anodyne CCOC(=O)CCc1nc2nc(N3CCC[C@@H](CO)C3)ccc2[nH]c1=O ZINC000082232177 FD Annotated Anodyne C[C@]1(C(=O)NCCN2CCOCC2)CON=C1c1ccc(Cl)cc1 ZINC000082232334 FD Annotated Anodyne C[C@@]1(C(=O)NCCN2CCOCC2)CON=C1c1ccc(Cl)cc1 ZINC000082232335 FD Annotated Anodyne CC[C@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000083922597 FD Annotated Clean in-vitro CC[C@@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000083922598 FD Annotated Clean in-vitro CC[C@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000083922599 FD Annotated Clean in-vitro CC[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)cccc1C3=O ZINC000083922600 FD Annotated Clean in-vitro C[C@@H]1S/C(=C2/C=CC=CC2=O)N[C@@H]1[C@@H]1SC[C@](C)(C(=O)O)N1C ZINC000083922721 FD Annotated Mild in-vitro C[C@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000083924412 FD Annotated Clean in-vitro C[C@@]1(O)Cc2cc3c(c(O)c2[C@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000083924414 FD Annotated Clean in-vitro C[C@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000083924417 FD Annotated Clean in-vitro C[C@@]1(O)Cc2cc3c(c(O)c2[C@@H](O)C1)C(=O)c1c(O)ccc(O)c1C3=O ZINC000083924420 FD Annotated Clean in-vitro C[C@@]1(Cl)C(=O)c2cc(O)c3c(c2[C@@H](O)[C@H]1O)C(=O)c1cccc(O)c1-3 ZINC000083924520 FD Annotated Anodyne in-vitro C[C@]1(Cl)C(=O)c2cc(O)c3c(c2[C@@H](O)[C@H]1O)C(=O)c1cccc(O)c1-3 ZINC000083924523 FD Annotated Anodyne in-vitro C[C@@]1(Cl)C(=O)c2cc(O)c3c(c2[C@@H](O)[C@@H]1O)C(=O)c1cccc(O)c1-3 ZINC000083924526 FD Annotated Anodyne in-vitro C[C@]1(Cl)C(=O)c2cc(O)c3c(c2[C@@H](O)[C@@H]1O)C(=O)c1cccc(O)c1-3 ZINC000083924531 FD Annotated Anodyne in-vitro C[C@H]1C[C@H]2OC(=O)[C@@]3(C)[C@@H]2[C@H](C[C@@]2(C)OC1=CC2=O)O[C@]3(O)[C@]1(C)CO1 ZINC000084154336 FD Annotated Mild in-vitro biogenic CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084459859 FD Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084459861 FD Annotated Clean CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000084459864 FD Annotated Clean O=C(NO)N/N=C/c1cc(Br)cc(Br)c1O ZINC000084548956 FD Annotated Reactive CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(N)ncnc12 ZINC000084596490 FD Annotated Anodyne C#CCNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 ZINC000084596669 FD Annotated Mild O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CC=CC1 ZINC000084596777 FD Annotated Anodyne CC1(O)CN(C(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)C1 ZINC000084596779 FD Annotated Anodyne NC1CN(C(=O)c2cc3n[nH]c(=O)n3c3cc(-c4ccsc4)ccc23)C1 ZINC000084597022 FD Annotated Anodyne CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000084597026 FD Annotated Mild CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000084602680 FD Annotated Mild OCCOCCO[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 ZINC000084602938 FD Annotated Anodyne CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12 ZINC000084603545 FD Annotated Anodyne O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cccc3cccnc23)n1 ZINC000084605545 FD Annotated Bother C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCNCC2)c1O ZINC000084611172 FD Annotated Reactive C#Cc1ccc(Nc2c(C(=O)NOCCO)c3c(n2C)C(=O)CC3)c(F)c1 ZINC000084614505 FD Annotated Mild COc1cc(O)c2c(c1)[C@H](O)[C@H]1C[C@](C)(O)[C@H](OC(C)=O)C[C@@H]1C2=O ZINC000084615972 FD Annotated Anodyne O=C(Cn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3)N1CC=CC1 ZINC000084616829 FD Annotated Anodyne C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(C)[C@H](C[C@@H]3O)[C@](C)(C(=O)O)C[C@H](O)[C@@H]1O ZINC000084617615 FD Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5C(=O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3O ZINC000084618636 FD Annotated Mild C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3O ZINC000084632067 FD Annotated Mild O=C(NN1C(=O)CCS[C@@H]1Cc1ccc([N+](=O)[O-])o1)c1ccncc1 ZINC000084632090 FD Annotated Bother O=C(NN1C(=O)CCS[C@H]1Cc1ccc([N+](=O)[O-])o1)c1ccncc1 ZINC000084632092 FD Annotated Bother C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)C3=O ZINC000084632281 FD Annotated Anodyne CNc1ncnc2c(Nc3ccccc3C)nc(N3CCNCC3)nc12 ZINC000084633291 FD Annotated Anodyne O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCOCC1 ZINC000084633669 FD Annotated Anodyne C=C1C(=O)[C@@]23C(=O)OC[C@]4(C(=O)CCC(C)(C)[C@H]4C=O)[C@@H]2CC[C@@H]1[C@H]3O ZINC000084635893 FD Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C(\NC(=O)C(N)=O)C(=O)OC ZINC000084651945 FD Annotated Mild C=CCCC(=O)NCCCCN1CCc2nc(C(=O)NO)sc2C1 ZINC000084652913 FD Annotated Mild CCOC(=O)[C@]1(NC(=O)NNC(=O)c2ccc(N(C)C)cc2)CC1(C)C ZINC000084653489 FD Annotated Reactive CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2ccc(N(C)C)cc2)CC1(C)C ZINC000084653490 FD Annotated Reactive NC(=O)c1c(N)nc(OC2CCCC2)nc1O[C@H]1CCCC[C@@H]1CO ZINC000084654713 FD Annotated Anodyne CCc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2F)c(O)nc1=S ZINC000084654735 FD Annotated Anodyne O=C(O)c1ccn(-c2cc3c(=O)n(O)c(O)nc3cc2C(F)(F)F)c1 ZINC000084655482 FD Annotated Anodyne COc1cc(Br)cc2cc(C(=O)NCCCO)c(=N)oc12 ZINC000084668872 FD Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn([C@@H]3COC[C@H]3O)c2n1 ZINC000084670128 FD Annotated Anodyne CCOC(=O)CC(=O)NCC(OCC)(OCC)c1ccc2c(c1)OCO2 ZINC000084670361 FD Annotated Anodyne Cc1c(C(N)=O)sc2c1c(=O)n(Cc1ccccc1)c1nnc(S)n21 ZINC000084670389 FD Annotated Anodyne CNCc1cc(-c2ccccc2CO)n(S(=O)(=O)c2cccnc2)c1 ZINC000084670712 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@@]13COC(=O)C1=CC[C@H]1O[C@]132 ZINC000084671222 FD Annotated Anodyne C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)C1=CC[C@H]1O[C@]132 ZINC000084671224 FD Annotated Anodyne Nc1nc(C2CC2)nc2c1nnn2C[C@H]1CN(Cc2nccs2)CCO1 ZINC000084687879 FD Annotated Anodyne N#Cc1ccc(Nc2nc(Nc3cc[nH]n3)nc(Nc3cc[nH]n3)n2)cn1 ZINC000084688561 FD Annotated Mild COCCCc1cc(Nc2ccnc(NCc3cc(C(N)=O)no3)n2)n[nH]1 ZINC000084688583 FD Annotated Anodyne O=[N+]([O-])c1ncn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000084688817 FD Annotated Bother O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2ccc(Cl)s2)n1 ZINC000084689772 FD Annotated Bother CN(C)CCNc1nc(C(F)(F)F)nc2c1nnn2C[C@@H]1CCCCO1 ZINC000084689800 FD Annotated Anodyne CN(C)CCNc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCCO1 ZINC000084689801 FD Annotated Anodyne CCc1csc(CN2CCO[C@@H](Cn3nnc4c(N)nc(C)nc43)C2)n1 ZINC000084690471 FD Annotated Anodyne CC(=O)O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(C)=O)[C@H]3C1)OCO5 ZINC000084690637 FD Annotated Anodyne CC(C)[C@H]1[C@@H](O)C(=O)[C@@]2(O)[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@]12C ZINC000084691036 FD Annotated Anodyne Nc1nc(SCc2ccccc2)c2ncn(/C=C3/CC3(CO)CO)c2n1 ZINC000084712067 FD Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]31CC[C@]3(CO[C@@H](O)C3)O1)OC2=O ZINC000084713668 FD Annotated Anodyne C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@]1(CO1)[C@]31CC[C@]3(CO[C@H](O)C3)O1)OC2=O ZINC000084713671 FD Annotated Anodyne C#CCCOc1oc(=O)c2cc(NC(=O)CNC(=N)N)ccc2c1Cl ZINC000084714605 FD Annotated Mild Cc1ccc2nc(C)n(NC(=O)c3sc(N)c(C#N)c3N)c(=O)c2c1 ZINC000084725863 FD Annotated Mild C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(C[C@H](O)CO)c1O2 ZINC000084726214 FD Annotated Anodyne C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(C[C@@H](O)CO)c1O2 ZINC000084726219 FD Annotated Anodyne NC(=S)N/N=C1\CCS(=O)(=O)c2ccc(OC(F)(F)F)cc21 ZINC000084728558 FD Annotated Mild CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3=CC[C@]12C ZINC000084730641 FD Annotated Anodyne O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCOCC1 ZINC000084733473 FD Annotated Anodyne CCOC(=O)CSc1nnc(CC)n1N1C(=O)c2ccccc2C1=O ZINC000084739442 FD Annotated Anodyne C=CC(=O)O[C@@H]1CN2Cc3cc4c(cc3[C@]13C=C[C@@H](OC)C[C@H]23)OCO4 ZINC000084740030 FD Annotated Anodyne O=C1C[C@@H](c2ccccc2F)C(=O)N1CN1CCN(c2ncccn2)CC1 ZINC000084742204 FD Annotated Anodyne COc1cc(CO)c(-c2c(CO)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084742533 FD Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@H](O)CF)c2n1 ZINC000084758663 FD Annotated Anodyne C[C@H]1CCCC[C@H]1Oc1nc(N)c2c(=O)ccn(C[C@@H](O)CF)c2n1 ZINC000084758665 FD Annotated Anodyne O=C(OCCOCCO)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000084758720 FD Annotated Clean CCOc1ccc(-n2ccn3c(C[C@@H](C)CC(=O)O)nnc3c2=O)cc1 ZINC000008592369 FD Annotated Anodyne CCOc1ccc(-n2ccn3c(C[C@H](C)CC(=O)O)nnc3c2=O)cc1 ZINC000008592371 FD Annotated Anodyne COc1ccc(-n2ccn3c(CC(C)(C)CC(=O)O)nnc3c2=O)cc1 ZINC000008592396 FD Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c12 ZINC000008596047 FD Annotated Anodyne COCc1nc2cccnc2n1C1CCN(S(=O)(=O)N(C)C)CC1 ZINC000008599467 FD Annotated Anodyne CCOC(=O)C1CCN(C(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)CC1 ZINC000008603866 FD Annotated Anodyne CCOC(=O)[C@@H]1CCCN(C(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)C1 ZINC000008604036 FD Annotated Anodyne CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)cc(C)c3c(C)nn(C)c32)C1 ZINC000008604040 FD Annotated Anodyne COc1ccc(NC(=O)CN2CCN(C3CCCCC3)C(=O)C2=O)cc1 ZINC000008608003 FD Annotated Anodyne CC(C)CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 ZINC000008608779 FD Annotated Anodyne CCCCN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 ZINC000008608805 FD Annotated Anodyne COCCCNC(=O)CCCN1C(=O)CCn2nc(-c3cccn3C)cc21 ZINC000008609586 FD Annotated Anodyne CCOCCCNC(=O)[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 ZINC000008642546 FD Annotated Anodyne CC(=O)N=c1c(C#N)cc2c(=O)n3cccc(C)c3nc2n1Cc1ccco1 ZINC000008656583 FD Annotated Anodyne C=N[C@@H](C(=O)N[C@@H]1C(=O)[C@@H]2[C@@H]1SC(C)(C)[C@@H]2C(=O)O)c1ccccc1 ZINC000008664616 FD Annotated Mild in-vitro Cc1ccc(S(=O)(=O)N/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000008670188 FD Annotated Mild CCN(CC)CCNS(=O)(=O)c1ccc2ncc(C(=O)O)c(O)c2c1 ZINC000008670262 FD Annotated Anodyne C[C@H]1OCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000008672945 FD Annotated Anodyne in-vitro C[C@@H]1OCc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000008672946 FD Annotated Anodyne in-vitro Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](CO)C(C)C)CC2)cc1 ZINC000008680215 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](CO)C(C)C)CC2)cc1 ZINC000008680216 FD Annotated Anodyne COc1ccc(NC(=O)C[C@H]2SC(NC[C@H]3CCCO3)=NC2=O)cc1 ZINC000008685074 FD Annotated Anodyne COc1ccc(NC(=O)C[C@@H]2SC(NC[C@H]3CCCO3)=NC2=O)cc1 ZINC000008685076 FD Annotated Anodyne COc1cc(OC)c(OC)cc1/C=N/NC(=S)NC[C@H]1CCCO1 ZINC000008687302 FD Annotated Mild C=CCOC(=O)N[C@H](c1ccc(F)c(F)c1)[C@H](C(=O)COC)C(=O)OC ZINC000008689811 FD Annotated Mild C=CCOC(=O)N[C@H](c1ccc(F)c(F)c1)[C@@H](C(=O)COC)C(=O)OC ZINC000008689812 FD Annotated Mild C=CCOC(=O)N[C@@H](c1ccc(F)c(F)c1)[C@H](C(=O)COC)C(=O)OC ZINC000008689813 FD Annotated Mild C=CCOC(=O)N[C@@H](c1ccc(F)c(F)c1)[C@@H](C(=O)COC)C(=O)OC ZINC000008689814 FD Annotated Mild COC(=O)N[C@@H](c1ccc(Br)cc1)C(C(=O)OC)C(=O)OC ZINC000008689946 FD Annotated Anodyne CCOCCCNC(=O)[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1 ZINC000008772803 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@@]1(C)[C@@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000008829473 FD Annotated Mild CCOC(=O)C(=CN(CCc1ccccc1)CC(=O)OC)C(=O)OCC ZINC000008829542 FD Annotated Anodyne CNCc1c(OC)cc2c(c1O)C(=O)c1c(cc(OC)c(O)c1CO)C2=O ZINC000085486906 FD Annotated Clean in-vitro biogenic COCc1ccc(O)cc1CCN(C)[C@@H](CO)[C@H](O)c1cccc(O)c1 ZINC000085486943 FD Annotated Anodyne in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085489501 FD Annotated Mild in-vitro biogenic COc1cc2c(cc1OC)[C@]13C[C@@H](OC)[C@@H](O)C=C1[C@@H](O)CN3CCC2 ZINC000085490168 FD Annotated Anodyne in-vitro biogenic CC1=C2[C@H](O)[C@@]3(O)CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@H](O)[C@@H]2OC1=O ZINC000085504634 FD Annotated Anodyne in-vitro biogenic C[C@@]12C[C@@H](O)C[C@@](C)(CO)[C@@H]1CCC1=C[C@@](C)([C@H](O)CO)[C@H](O)C[C@@H]12 ZINC000085508644 FD Annotated Anodyne in-vitro biogenic O=C1CC=C2[C@H]3C[C@@H]4N(CC[C@]45c4cccc(O)c4N1[C@H]25)C/C3=C\CO ZINC000085508797 FD Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(O)C[C@@]23C=CC[N+]4(O)CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 ZINC000085508799 FD Annotated Bother in-vitro biogenic COC(=O)[C@H]1CO[C@@H](C)[C@H]2CN3CC[C@]4(C(=O)Nc5ccccc54)[C@@H]3C[C@H]12 ZINC000085530874 FD Annotated Anodyne in-vitro biogenic COC1=C(OC)[C@H]2[C@H]3Cc4cc5c(cc4[C@]2(CC1=O)CC(=O)N3C)OCO5 ZINC000085531264 FD Annotated Mild in-vitro biogenic O=C1C[C@@H](O)[C@@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C[C@H]3CCO ZINC000085531677 FD Annotated Anodyne in-vitro biogenic O=C1C[C@@H]2OCCC=C3CN4CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@@H]3C[C@@]46O ZINC000085531694 FD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@](C2)(C(=O)O[C@@H]2O[C@H](O)[C@@H]4C(C)(C)CC[C@H](O)[C@]243)[C@@H]1O ZINC000085531845 FD Annotated Mild in-vitro biogenic CC(C)[C@]12O[C@H]1[C@H](O)C1=C(C(=O)C[C@H]3C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O ZINC000085541327 FD Annotated Mild in-vitro biogenic CC1(C)[C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@@]12Nc1ccccc1C2=O)NC4=O ZINC000085547449 FD Annotated Anodyne C[C@H](c1ccc(C=O)cc1)[C@H]1C[C@@H]([C@@H]2CC[C@H]3[C@@H](O)CC[C@H]3N2)[C@@]2(O)CN12 ZINC000085547726 FD Annotated Anodyne in-vitro biogenic C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2CN[C@@H]1CC[C@H](O)C1 ZINC000085547777 FD Annotated Anodyne in-vitro biogenic CNC(=N)NC[C@]1(C)[C@@H]2CC[C@@H](C)[C@]13C[C@](O)(COC)C(C(=O)O)=C3C2 ZINC000085548952 FD Annotated Anodyne in-vitro biogenic C=C(CCCO)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549799 FD Annotated Mild in-vitro biogenic C=C(CCNC)[C@H]1CC[C@@](C)(O)[C@H]2CC[C@@](O)(CCNC(=N)NC)[C@H]2C1 ZINC000085549810 FD Annotated Mild in-vitro biogenic C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085550628 FD Annotated Mild CC1(C)C[C@@H]2[C@@H]3[C@@H]4O[C@@]21CC[C@@](C)(O)[C@@H]4[C@@H](OC(=O)CCC(=O)O)[C@@H]3O ZINC000085553165 FD Annotated Anodyne C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@]1(C)C[C@@H](O)[C@]1([C@@H](O)CO)CO1 ZINC000085554612 FD Annotated Reactive C[C@@]12CCC[C@@]3(CO)C(=O)O[C@H]([C@@H]13)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@](C)(O)C3 ZINC000085554835 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC=C[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000085559352 FD Annotated Mild C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@H]2[C@]1(C)C[C@@H](O)[C@]1([C@@H](O)CO)CO1 ZINC000085562820 FD Annotated Anodyne C[C@@H]1CC[C@]2(C)C(CO)=CCC[C@H]2[C@]1(C)C[C@@H](O)[C@]1([C@H](O)CO)CO1 ZINC000085562824 FD Annotated Anodyne C=C[C@]1(C)C=C2C(=O)[C@@]3(O)OC(=O)[C@@]4(C)CC[C@H]5C[C@]5([C@H]43)[C@@]2(O)C(=O)C1 ZINC000085592979 FD Annotated Mild COC(=O)Cc1c(/C(Cl)=C\C(=O)O)oc2cc(CO)cc(O)c2c1=O ZINC000085596871 FD Annotated Anodyne CC(C)[C@@H](O)C[C@H]1O[C@]1(C)C(=O)[C@@H](C)[C@@H]1CC[C@H](C)[C@H](O)CC(=O)O1 ZINC000085598440 FD Annotated Anodyne CC[C@@]1(O)CCc2cc3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O ZINC000085637187 FD Annotated Clean O=C1O/C(=C(/C(=O)O)c2ccc(O)c(O)c2)C(O)=C1c1ccc(O)c(O)c1 ZINC000085637405 FD Annotated Clean O=C1O/C(=C2/C(=O)Oc3cc(O)c(O)cc32)C(O)=C1c1ccc(O)cc1 ZINC000085637438 FD Annotated Clean O=C1O/C(=C2/C(=O)Oc3cc(O)c(O)cc32)C(O)=C1c1ccc(O)c(O)c1 ZINC000085637443 FD Annotated Clean O=C1O/C(=C(/C(=O)O)c2ccc(O)cc2)C(O)=C1c1cc(O)c(O)c(O)c1 ZINC000085637484 FD Annotated Clean C/C=C\C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(C)[C@]1(C)[C@]21CO1 ZINC000085642121 FD Annotated Anodyne CC(C)(O)/C=C1/C=C(C=O)[C@H]2CC[C@@]3(C)C[C@](O)(CC[C@H]3O)[C@@H]2[C@H]1O ZINC000085643276 FD Annotated Reactive CC(=O)[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@H](C)[C@@H]23)[C@@H]1O ZINC000085648552 FD Annotated Anodyne in-vitro biogenic CC(=O)[C@H]1C[C@@H](O)[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@H](C)[C@@H]23)O[C@@H]1C ZINC000085648554 FD Annotated Anodyne in-vitro biogenic CC(=O)C[C@@H]1CC[C@@H](O)[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC[C@H](C)[C@@H]23)O1 ZINC000085648557 FD Annotated Anodyne in-vitro biogenic COC(=O)C1=C2Nc3ccccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 ZINC000085663233 FD Annotated Bother COC(=O)C1=C2N(C=O)c3ccccc3[C@@]23CCN2C[C@@H]([C@H](C)O)[C@@H]1C[C@H]23 ZINC000085663245 FD Annotated Anodyne C=C[C@]1(C)CC[C@@H](C(O)(COC(C)=O)COC(C)=O)[C@H](O)[C@H]1C(=C)C ZINC000085664067 FD Annotated Mild C[C@@H]1C[C@@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]12C[C@H](c1ccoc1)OC2=O ZINC000085723435 FD Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CC=C[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000085800043 FD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@]12CC=C[C@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000085800044 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12COC(=O)[C@](C)(C[C@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000085800145 FD Annotated Mild in-man C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@]12COC(=O)[C@](C)(C[C@@H](O)C1)[C@H]2[C@@H]3C(=O)O ZINC000085800147 FD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000085800154 FD Annotated Mild in-man C=C1[C@H](O)[C@@]23C[C@]1(O)CC[C@@H]2[C@]12CCC[C@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000085800156 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800236 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800238 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800239 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CC[C@@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O ZINC000085800241 FD Annotated Mild in-man C[C@@H]1C[C@H](O)[C@@]23C[C@@](C)(O)C=CC[C@@H]2[C@]1(CC/C(=C/CO)CO)CO3 ZINC000085803096 FD Annotated Anodyne CC1=C[C@]23OC[C@](CC/C(=C/CO)CO)([C@H](C)C[C@@H]2O)[C@H]3CCC1=O ZINC000085803106 FD Annotated Mild in-vitro biogenic C[C@H]1OC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N(C(=O)CO)[C@@H]25)C[C@H]31 ZINC000085831135 FD Annotated Anodyne CN1[C@H]2O[C@]3(c4cc5c(cc4C[C@@H]13)OCO5)[C@H](O)c1ccc3c(c12)OCO3 ZINC000085837518 FD Annotated Anodyne C=C[C@@]12C[C@]3(C(=O)OC)C(=O)Nc4ccccc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@H]42 ZINC000085848119 FD Annotated Mild C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H]3CC=C(C[C@@H](O)[C@@H]12)C[C@@](O)(C(C)C)C(=O)O3 ZINC000085849105 FD Annotated Mild CC(=O)OCC1=C2[C@@H](OC(C)=O)C[C@]3(C)C(=O)[C@H]4C[C@@]4(C)[C@@H]3[C@@H]2OC1=O ZINC000085850131 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@H]1C ZINC000085851770 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@H]1C ZINC000085851776 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@H]1C ZINC000085851781 FD Annotated Anodyne in-man C/C=C(/C)C(=O)O[C@H](C1=C(C)[C@@H](O)OC1=O)[C@@]1(C)C(=O)CC[C@@H](O)[C@H]1C ZINC000085851784 FD Annotated Anodyne in-man C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 ZINC000085856646 FD Annotated Mild COC(=O)C[C@@](OC(C)=O)(C(=O)OC[C@H]1CCN2CCC[C@H]12)C(C)C ZINC000085882931 FD Annotated Anodyne C[C@@]1(O)C(=O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CC[C@H]1COC(=O)C1 ZINC000085888364 FD Annotated Anodyne O=C1C[C@@H](O)[C@H]2c3ccc(O)c4c3[C@H](c3ccc(O)c1c32)[C@H](O)CC4=O ZINC000085894541 FD Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C)[C@]3(O)[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000085898455 FD Annotated Anodyne C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000085932750 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000085932753 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000085932755 FD Annotated Mild in-man C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@@]1(C)CCC[C@](C)(C(=O)O)[C@@H]1[C@H](O)[C@@H]3O ZINC000085932759 FD Annotated Mild in-man O=C1N[C@H]2c3nc4ccccc4c(=O)n3[C@@H]1C[C@]21C(=O)Nc2ccccc21 ZINC000085995704 FD Annotated Anodyne Nc1ncc2c(n1)CNC(=O)c1[nH]c(Br)c(Br)c1-2 ZINC000085995924 FD Annotated Anodyne C/C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@]2(O)C[C@@H]1[C@@]3(CO)C(=O)OC ZINC000086002175 FD Annotated Anodyne C[C@@H]1C[C@H](O)[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC1=CC(=O)OC1 ZINC000086008233 FD Annotated Anodyne C[C@@H]1[C@@H](O)C[C@@]2(CO)C(CO)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O ZINC000086008247 FD Annotated Anodyne CC1=C2[C@@H](OC(=O)C(C)C)[C@@]3(C)C(=CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O ZINC000086010439 FD Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010783 FD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@@H]2[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010785 FD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@H]2[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@]12C ZINC000086010788 FD Annotated Anodyne in-man C/C=C(\C)C(=O)O[C@H]1C2=C(C)C(=O)O[C@H]2[C@H](O)[C@H]2CC[C@@H](O)[C@@H](C)[C@@]21C ZINC000086010790 FD Annotated Anodyne in-man C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)/C(C)=C/C)C3=C(CO)C(=O)O[C@@H]3[C@@H]12 ZINC000086011582 FD Annotated Mild CC(=O)C[C@@H]1CC(=O)O[C@@H](C)C/C=C/C(=O)O[C@@H](C)[C@H](O)/C=C/C(=O)O1 ZINC000086023742 FD Annotated Anodyne CC1=C(/C=C/[C@@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1 ZINC000086030880 FD Annotated Anodyne in-man CC1=C(/C=C/[C@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1 ZINC000086030882 FD Annotated Anodyne in-man CC1=C(/C=C/[C@@H](C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1 ZINC000086030886 FD Annotated Anodyne in-man CC1=C(/C=C/[C@H](C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1 ZINC000086030892 FD Annotated Anodyne in-man C/C=C1\C[C@H](C)[C@@H](OC(C)=O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23 ZINC000086044724 FD Annotated Anodyne O=C(O)c1cc2[nH]c3ccc(I)cc3c(=O)n2n1 ZINC000087721950 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)C2=O ZINC000089456056 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@H]2O ZINC000089456065 FD Annotated Anodyne Cc1c2c(c(O)c(=O)n1C)C(=O)N(Cc1ccc(F)c(Cl)c1)C2=O ZINC000089464861 FD Annotated Anodyne O=C1c2c(CO)[nH]c(=O)c(O)c2C(=O)N1Cc1ccc(F)c(Cl)c1 ZINC000089464869 FD Annotated Anodyne CO[C@@H]1O[C@H](Cn2cc(C3(O)CCCCC3)nn2)[C@@H]2OC(C)(C)O[C@H]21 ZINC000089469539 FD Annotated Anodyne CO[C@@H]1O[C@H](Cn2cc(C3(O)CCCCC3)nn2)[C@@H]2OC(C)(C)O[C@@H]21 ZINC000089469541 FD Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 ZINC000009186851 FD Annotated Anodyne O=C(CN1CCCN(Cc2ccccc2)S1(=O)=O)NCc1ccco1 ZINC000009224610 FD Annotated Anodyne O=C(O)c1cccc(N2C[C@H](C3CC3)[C@@H](NC(=O)C3CCOCC3)C2)n1 ZINC000091255922 FD Annotated Anodyne Cc1ccc(N2C[C@@H]3CN(C(=O)NC4CCCC4)C[C@]3(C(=O)O)C2)nn1 ZINC000091468433 FD Annotated Anodyne Cn1c(Cn2cccn2)nnc1C1CCN(Cc2cccnc2N)CC1 ZINC000091468620 FD Annotated Anodyne CCC[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1NS(=O)(=O)CC ZINC000091536097 FD Annotated Anodyne CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cn1ccc3ccccc31)C2 ZINC000091551173 FD Annotated Anodyne CCN(CCO)C[C@@H]1CN(c2cc(C(F)(F)F)cc(C)n2)C[C@@H]1CO ZINC000091595645 FD Annotated Anodyne O=C(c1ccc2cccc(F)c2n1)N1CCN(CCn2cncn2)CC1 ZINC000091664233 FD Annotated Anodyne CN(CCO)C[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@@H]1CO ZINC000091849414 FD Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@@H]1O ZINC000094156242 FD Annotated Anodyne COCCn1nnc2c(O)nc(C(=O)NCc3ccccc3Cl)nc21 ZINC000009546431 FD Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)NCc1ccco1 ZINC000009645307 FD Annotated Anodyne C=CCN1C(=O)/C(=C/N(C)C)S/C1=N\S(=O)(=O)c1cccs1 ZINC000095351714 FD Annotated Mild Cc1ccccc1CSc1nc(N)cc(N2C[C@H](O)[C@@H](N(C)C)C2)n1 ZINC000095373877 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)cc1F ZINC000095455681 FD Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)cc1F ZINC000095455682 FD Annotated Anodyne CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)[C@@H](O)[C@H]3C(=O)C4=C(C[C@@H]3C[C@@H]12)OCC4 ZINC000095485901 FD Annotated Mild in-vitro biogenic COc1c(O)ccc2c1OC[C@H]([C@@H]1C(=O)C[C@H](OC)C(=O)[C@H]1OC)C2 ZINC000095485923 FD Annotated Anodyne in-vitro biogenic O=C1[C@H](O)[C@]23C=CCN4CC[C@H]5c6cc7c(cc6N1[C@@]5(CC2)[C@H]43)OCO7 ZINC000095486071 FD Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](O)CC[C@]2(C)[C@H](C/C=C3\C(=O)OC[C@@H]3O)[C@@]3(CO3)C[C@H](O)[C@@H]12 ZINC000095486146 FD Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](C)[C@H](OC(C)=O)[C@@H](C/C=C/[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000095486213 FD Annotated Anodyne in-vitro biogenic CC(=O)Cc1cc(=O)c2c(C)cc(O)c([C@@H]3CC[C@H](O)[C@@H](CO)O3)c2o1 ZINC000095486261 FD Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@H]1NCCc3cc(OCO)c(OCO)c-2c31 ZINC000095486344 FD Annotated Anodyne in-vitro biogenic COc1ccc(C(=O)N2C[C@@H](NC(=O)N(C)C)[C@H](C(C)C)C2)c(OC)n1 ZINC000095519897 FD Annotated Anodyne CCN/C(O)=N/S(=O)(=O)c1ccc(C(=O)n2nc(C)cc2C)cc1 ZINC000095542807 FD Annotated Mild Fc1cccc(CN2CCN(Cc3nc(-c4cnccn4)no3)CC2)c1 ZINC000095544149 FD Annotated Anodyne NCCC[C@@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F ZINC000095552202 FD Annotated Bother NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F ZINC000095552203 FD Annotated Bother COCCOCCOc1ccnc(C2=N[C@@](C)(C(=O)O)CS2)c1O ZINC000095553148 FD Annotated Anodyne COCCOCCOc1cnc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1 ZINC000095554681 FD Annotated Anodyne C[C@@](CCc1cc(-c2cccc(F)c2)on1)(C(=O)NO)S(C)(=O)=O ZINC000095554742 FD Annotated Bother C[C@](CCc1cc(-c2cccc(F)c2)on1)(C(=O)NO)S(C)(=O)=O ZINC000095554743 FD Annotated Bother C[C@@](CCc1cc(-c2cccc(F)c2F)no1)(C(=O)NO)S(C)(=O)=O ZINC000095555041 FD Annotated Bother C[C@](CCc1cc(-c2cccc(F)c2F)no1)(C(=O)NO)S(C)(=O)=O ZINC000095555042 FD Annotated Bother Cc1ccc(-c2cc(CC[C@@](C)(C(=O)NO)S(C)(=O)=O)on2)cc1 ZINC000095555094 FD Annotated Bother Cc1ccc(-c2cc(CC[C@](C)(C(=O)NO)S(C)(=O)=O)on2)cc1 ZINC000095555095 FD Annotated Bother C[C@@](CCc1cc(-c2ccccc2F)on1)(C(=O)NO)S(C)(=O)=O ZINC000095555376 FD Annotated Bother C[C@](CCc1cc(-c2ccccc2F)on1)(C(=O)NO)S(C)(=O)=O ZINC000095555377 FD Annotated Bother CN1CCN(c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1 ZINC000095555548 FD Annotated Anodyne CCN(CC)CC(=O)NCc1cn(-c2ccc(Br)cc2)nn1 ZINC000095555880 FD Annotated Anodyne COCCOCCOc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O ZINC000095556039 FD Annotated Anodyne CCN(CC)CC(=O)NCc1cn(-c2ccccc2Br)nn1 ZINC000095557030 FD Annotated Anodyne CCN(CC)CC(=O)NCc1cn(-c2ccc(OC)cc2[N+](=O)[O-])nn1 ZINC000095557262 FD Annotated Bother N[C@@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F ZINC000095557465 FD Annotated Bother N[C@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)(C(=O)O)C(F)F ZINC000095557466 FD Annotated Bother Cn1nnnc1SCC(=O)N/N=C/c1ccc(Br)cc1 ZINC000095557872 FD Annotated Reactive C=C(C)[C@H]1CC[C@@H]2C(=O)O[C@H]3[C@@H]2O[C@@]2(O[C@@H]1C(=O)[C@@]1(C)O[C@H]12)[C@@H]3C(=C)C ZINC000095557885 FD Annotated Mild Cn1nnnc1SCC(=O)N/N=C/c1cccc(Br)c1 ZINC000095559137 FD Annotated Reactive CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1C(=O)OC ZINC000095560216 FD Annotated Mild COc1cc2c(cc1OCC(=O)OCCCO[N+](=O)[O-])C(=O)[C@@H](C)OC2 ZINC000095560667 FD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCO[N+](=O)[O-])C(=O)[C@H](C)OC2 ZINC000095560668 FD Annotated Anodyne CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)n3nc(N)nc3c2)c1 ZINC000095561013 FD Annotated Anodyne CN1CCN(c2ccc([C@@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cn2)C(=O)C1 ZINC000095561212 FD Annotated Bother CN1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cn2)C(=O)C1 ZINC000095561213 FD Annotated Bother CC(=O)OCC1=C[C@H](OCc2ccc3ccccc3c2)[C@H](O)[C@@H](O)C1=O ZINC000095561365 FD Annotated Mild COc1ccc2c(c1OCC(=O)OCCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095561448 FD Annotated Anodyne COc1ccc2c(c1OCC(=O)OCCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095561449 FD Annotated Anodyne COc1cc([C@H](O)CO)c(I)c(OC)c1OC ZINC000095561759 FD Annotated Anodyne COc1cc([C@@H](O)CO)c(I)c(OC)c1OC ZINC000095561760 FD Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C2=C(C)C[C@](O)(C2=O)[C@H](C)[C@@H](O)C1=O ZINC000095561913 FD Annotated Mild CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@@H]1n1cnc2ncnc(N)c21 ZINC000095562205 FD Annotated Anodyne Nc1nc2cc(-c3cncc(S(=O)(=O)NCC(F)(F)F)c3)ccn2n1 ZINC000095562397 FD Annotated Anodyne CC1(C)CCN1S(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1 ZINC000095562928 FD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCO[N+](=O)[O-])CO[C@H](C)C2=O ZINC000095562971 FD Annotated Anodyne COc1cc2c(cc1OCC(=O)OCCCO[N+](=O)[O-])CO[C@@H](C)C2=O ZINC000095562972 FD Annotated Anodyne O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O ZINC000095562975 FD Annotated Bother Cn1nnnc1SCC(=O)N/N=C/c1ccccc1Br ZINC000095563018 FD Annotated Reactive CC(C)(C)OC(=O)N1[C@H](CO)CC(F)(F)[C@H]1n1cnc2ncnc(N)c21 ZINC000095563278 FD Annotated Anodyne O=C1COCCN1c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cn1 ZINC000095564256 FD Annotated Bother O=C1COCCN1c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])o3)=NO2)cn1 ZINC000095564257 FD Annotated Bother CC(=O)O[C@H]1Nc2c(ccc(C)c2O)C(=O)N2C=C(/C=C/C(N)=O)C[C@@H]12 ZINC000095565132 FD Annotated Anodyne CN1C[C@](C)(CO)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21 ZINC000095565935 FD Annotated Anodyne CN1C[C@@](C)(CO)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21 ZINC000095565936 FD Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCN(C)CC3)ccc2S(=O)(=O)N1 ZINC000095566442 FD Annotated Anodyne CN(CCO)c1cccc2c1S(=O)(=O)N[C@H](Cc1ccccc1)CO2 ZINC000095566706 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CN(C(C)C)S(C)(=O)=O ZINC000095566976 FD Annotated Anodyne C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@@H](CO)C3=O ZINC000095567703 FD Annotated Anodyne C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@H]21)[C@@H](CO)C3=O ZINC000095567704 FD Annotated Anodyne C[C@@]12[C@@H](O)CC[C@@](C)(C(=O)O)[C@@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)[C@@H](CO)C3=O ZINC000095567705 FD Annotated Anodyne CN(CCO)c1cccc2c1S(=O)(=O)N[C@@H](Cc1ccccc1)CO2 ZINC000095567858 FD Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCN(C)CC3)c2S(=O)(=O)N1 ZINC000095568070 FD Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCN(C)CC3)c2S(=O)(=O)N1 ZINC000095568481 FD Annotated Anodyne O=C(NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095569182 FD Annotated Anodyne CCCCn1nnnc1[C@]1(C)CCC(=O)N1CCCN1CCOCC1 ZINC000095569309 FD Annotated Anodyne CCCCn1nnnc1[C@@]1(C)CCC(=O)N1CCCN1CCOCC1 ZINC000095569310 FD Annotated Anodyne O=C(NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095569486 FD Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CC[C@H](O)C3)ccc21 ZINC000095569728 FD Annotated Anodyne OCC[C@@H]1C[C@H](O)[C@@H](O)[C@@]2(OCCCc3cc(C(F)(F)F)ccc32)O1 ZINC000095570938 FD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)NC(C)C ZINC000095571237 FD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CC[C@H](O)C3)ccc21 ZINC000095571449 FD Annotated Anodyne O=C(NCc1ccc(F)cc1)c1nc(NCCO)c2cccnc2c1O ZINC000095572846 FD Annotated Anodyne COc1ccc(-c2ccc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000095572970 FD Annotated Anodyne CNC(=O)c1n[nH]nc1C(=O)Nc1ccn2cc(-c3ccccc3)nc2n1 ZINC000095575931 FD Annotated Anodyne COC(=O)N1CCC(OC(=O)[C@H]2C[C@]3(CN2)C(=O)Nc2ccccc23)CC1 ZINC000095578209 FD Annotated Anodyne Cc1ccc(-c2ccc(C(=O)CC3(O)C(=O)NC(=O)NC3=O)cc2)cc1 ZINC000095579400 FD Annotated Anodyne Cc1ccc([C@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581059 FD Annotated Anodyne Cc1ccc([C@@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581060 FD Annotated Anodyne Cc1ccc([C@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581061 FD Annotated Anodyne Cc1ccc([C@@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095581062 FD Annotated Anodyne NC1(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1 ZINC000095581737 FD Annotated Anodyne CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3ccc(C#N)cc3)ccc21 ZINC000095581893 FD Annotated Mild CNC(=O)/C=C1/COc2cc(OS(=O)(=O)CCC(F)(F)F)ccc21 ZINC000095582673 FD Annotated Anodyne C[C@@H](O)C(=O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095582681 FD Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(F)cc2)N1 ZINC000095583060 FD Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(F)cc2)N1 ZINC000095583061 FD Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccc(F)cc2)N1 ZINC000095583062 FD Annotated Anodyne O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc(F)cc2)N1 ZINC000095583063 FD Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095583403 FD Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095583404 FD Annotated Anodyne COc1ccc([C@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095583405 FD Annotated Anodyne COc1ccc([C@@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095583406 FD Annotated Anodyne O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2O)N1 ZINC000095583618 FD Annotated Clean O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2O)N1 ZINC000095583619 FD Annotated Clean O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2O)N1 ZINC000095583620 FD Annotated Clean O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2O)N1 ZINC000095583621 FD Annotated Clean O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3)[C@@H]12 ZINC000095583644 FD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3)[C@@H]12 ZINC000095583645 FD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccccc3)[C@H]12 ZINC000095583646 FD Annotated Anodyne O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccccc3)[C@H]12 ZINC000095583647 FD Annotated Anodyne Cc1ccccc1[C@H]1NC(=O)N=C2[C@@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095584010 FD Annotated Anodyne Cc1ccccc1[C@@H]1NC(=O)N=C2[C@@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095584011 FD Annotated Anodyne Cc1ccccc1[C@H]1NC(=O)N=C2[C@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095584012 FD Annotated Anodyne Cc1ccccc1[C@@H]1NC(=O)N=C2[C@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095584013 FD Annotated Anodyne Cc1ccc([C@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095584702 FD Annotated Anodyne Cc1ccc([C@@H]2NC(=O)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095584703 FD Annotated Anodyne Cc1ccc([C@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095584704 FD Annotated Anodyne Cc1ccc([C@@H]2NC(=O)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1 ZINC000095584705 FD Annotated Anodyne C[C@@H](O)[C@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095584844 FD Annotated Anodyne C[C@@H](O)[C@@H](O)c1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](CO)OC(=O)N32)cn1 ZINC000095584845 FD Annotated Anodyne CNC(=O)/C=C1/COc2cc(OS(=O)(=O)c3cccc(C#N)c3)ccc21 ZINC000095585787 FD Annotated Mild Cc1ccccc1[C@H]1NC(=S)N=C2[C@@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095585818 FD Annotated Anodyne Cc1ccccc1[C@@H]1NC(=S)N=C2[C@@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095585819 FD Annotated Anodyne Cc1ccccc1[C@H]1NC(=S)N=C2[C@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095585820 FD Annotated Anodyne Cc1ccccc1[C@@H]1NC(=S)N=C2[C@H]1C(=O)N=C1SC([N+](=O)[O-])=CN12 ZINC000095585821 FD Annotated Anodyne O=c1cc(N2CCNCC2)nc2n(Cc3ccccn3)c3ccccc3n12 ZINC000095586299 FD Annotated Anodyne CC(C)(C)NC(=S)N1CCC([C@H](N)C(=O)N2[C@H](C#N)C[C@@H]3C[C@@H]32)CC1 ZINC000095586543 FD Annotated Mild COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C(C)=O)=COC[C@@H]21 ZINC000095586733 FD Annotated Mild CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)OCC(C)C)c1=O ZINC000095586960 FD Annotated Anodyne O=c1c2c(on1Cc1ccc(I)cc1)CCNCC2 ZINC000095587068 FD Annotated Anodyne O=c1cc(N2CCNCC2)nc2n(Cc3cccnc3)c3ccccc3n12 ZINC000095587076 FD Annotated Anodyne CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(OC)c3)[C@H]2C)cn1 ZINC000095587378 FD Annotated Mild CN1c2ccc(-c3ccc(C(N)=O)cc3)cc2-c2[nH]ncc2S1(=O)=O ZINC000095587459 FD Annotated Anodyne NCCCc1nn2c(CCC(=O)c3nc4ccccc4[nH]3)nnc2s1 ZINC000095587841 FD Annotated Anodyne CC(C)(O)[C@]1(O)CCC2=C(C(=O)C[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)[C@H]1O ZINC000095588732 FD Annotated Mild O=c1c2c(on1Cc1ccccc1I)CCNCC2 ZINC000095589008 FD Annotated Anodyne CCN(CC)CCn1c2ccccc2n2c(=O)cc(N3CCNCC3)nc12 ZINC000095589639 FD Annotated Anodyne COc1cc(OC)cc(C(=O)OCCCCNC(=N)NCCS)c1 ZINC000095590492 FD Annotated Mild O=c1c2c(on1Cc1cccc(I)c1)CCNCC2 ZINC000095590792 FD Annotated Anodyne COCc1cn(CCCCO)c(Cn2c(=O)n(C3CC3)c3ccncc32)n1 ZINC000095590979 FD Annotated Anodyne CCCCCCNC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O ZINC000095592673 FD Annotated Anodyne O=C(NCCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095593037 FD Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@H](O)CN3CCCCC3)C2=O)cc1 ZINC000095593248 FD Annotated Anodyne COc1ccc(/C=C2\NC(=O)N(C[C@@H](O)CN3CCCCC3)C2=O)cc1 ZINC000095593249 FD Annotated Anodyne Cn1c(=O)c2c(cc(-n3cc(-c4ccc(Cl)cc4)nn3)n2C)n(C)c1=O ZINC000095593582 FD Annotated Anodyne CN(c1ncccc1CNc1c(C#N)cnc2[nH]ccc12)S(C)(=O)=O ZINC000095593832 FD Annotated Mild C[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095594609 FD Annotated Anodyne C=CCNC(=S)N1C[C@@H]([C@@H](C)OC(=O)COCc2ccccc2)C1=O ZINC000095594628 FD Annotated Mild O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1[C@H](O)CN1CCNCC1 ZINC000095595075 FD Annotated Anodyne O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1[C@@H](O)CN1CCNCC1 ZINC000095595076 FD Annotated Anodyne Cn1c(=O)c2c(cc(/C=C/c3ccc(S(C)(=O)=O)cc3)n2C)n(C)c1=O ZINC000095595308 FD Annotated Anodyne C[C@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095595976 FD Annotated Anodyne CSN1C(=O)[C@H]([C@@H](C)OC(=O)c2ccc(O)c(O)c2)[C@H]1OC(C)=O ZINC000095596164 FD Annotated Clean C[C@@H](CO)NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095596309 FD Annotated Anodyne CCc1cc(C(=O)NCCO)c(NC(=O)c2ccc([N+](=O)[O-])o2)s1 ZINC000095596403 FD Annotated Bother C[C@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095597045 FD Annotated Anodyne O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O ZINC000095597544 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095598701 FD Annotated Anodyne CNC[C@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095599611 FD Annotated Mild CC[C@@H](C(=O)O)N1Cc2sc(C#Cc3ccccn3)cc2S1(=O)=O ZINC000095601148 FD Annotated Mild CC[C@H](C(=O)O)N1Cc2sc(C#Cc3ccccn3)cc2S1(=O)=O ZINC000095601149 FD Annotated Mild CC(C)(C)C(=O)N1Cc2cc(N3CCOCC3)ccc2-n2nncc2C1 ZINC000095601618 FD Annotated Clean Cn1ncnc1-c1cnn2c1n[n+]([O-])c1ccc(OCc3ccccc3)cc12 ZINC000095602093 FD Annotated Anodyne C=C[C@H]1[C@H](CC(=O)OCCc2ccc(O)cc2)C(C(=O)OC)=CO[C@H]1O ZINC000095602989 FD Annotated Mild CC(C)C[C@H]1COc2cc(N3CCN(C)CC3)ccc2S(=O)(=O)N1 ZINC000095603365 FD Annotated Anodyne Cn1cnc(-c2cnn3c2n[n+]([O-])c2ccc(OCc4ccccc4)cc23)n1 ZINC000095603932 FD Annotated Anodyne CCCCN1C[C@H](N2CCN(Cc3cccc(C)c3)CC2)CS1(=O)=O ZINC000095604110 FD Annotated Anodyne CCCCN1C[C@@H](N2CCN(Cc3cccc(C)c3)CC2)CS1(=O)=O ZINC000095604111 FD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095604304 FD Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCC[C@@H]3CO)c2S(=O)(=O)N1 ZINC000095604560 FD Annotated Anodyne CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095605739 FD Annotated Anodyne C[C@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@@H]21 ZINC000095627944 FD Annotated Anodyne in-vitro COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@@H]1CC[C@H](OC(C)=O)[C@@H]3O ZINC000095629586 FD Annotated Anodyne in-vitro C[C@@]12CCC[C@@]3(OC1=O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@@H]31)[C@@](O)(CO)C2 ZINC000095635898 FD Annotated Anodyne in-vitro C[C@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095660970 FD Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@@H](CN(C)C(C)=O)O2 ZINC000095661014 FD Annotated Anodyne CNC[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095661038 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095661235 FD Annotated Mild CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N)cc2CC(=O)N(C)C[C@H]1C ZINC000095661272 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095661531 FD Annotated Mild C[C@@H]1CN(C)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C ZINC000095661654 FD Annotated Anodyne C[C@@H]1CN(C)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C ZINC000095661680 FD Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)C ZINC000095661691 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095661720 FD Annotated Anodyne CNC[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095661774 FD Annotated Anodyne CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@@H](CN(C)C(C)=O)O2 ZINC000095661817 FD Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)C ZINC000095662037 FD Annotated Anodyne CNC[C@@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@@H]1C ZINC000095662062 FD Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)C ZINC000095662080 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3CC3)cc2)[C@H]1CNC ZINC000095662134 FD Annotated Mild CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@@H](C)[C@H](CN(C)C(C)=O)O2 ZINC000095662233 FD Annotated Anodyne C[C@H]1CN(C)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)C ZINC000095662544 FD Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N)cc2CC(=O)N(C)C[C@@H]1C ZINC000095662571 FD Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@H]1CN(C)C ZINC000095662620 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095662633 FD Annotated Anodyne CC(C)NC(=O)N(C)C[C@@H]1Oc2ccc(N)cc2CC(=O)N(C)C[C@H]1C ZINC000095662635 FD Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)S(C)(=O)=O ZINC000095662663 FD Annotated Anodyne CNC[C@H]1Oc2ccc(NC(=O)NC(C)C)cc2CC(=O)N(C)C[C@H]1C ZINC000095662705 FD Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCC1 ZINC000095662776 FD Annotated Anodyne C[C@@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)S(C)(=O)=O ZINC000095663065 FD Annotated Anodyne CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C#CC2CC2)cc1 ZINC000095663117 FD Annotated Mild CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095663183 FD Annotated Anodyne CCC(=O)N(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(C)C ZINC000095663338 FD Annotated Anodyne CC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N)cc2CC(=O)N(C)C[C@@H]1C ZINC000095663382 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095663512 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095663741 FD Annotated Mild C[C@H]1CN(C)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)S(C)(=O)=O ZINC000095663778 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@H]2C1 ZINC000095663870 FD Annotated Mild CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095664101 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095664336 FD Annotated Mild CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 ZINC000095664367 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095664379 FD Annotated Mild CC(=O)Nc1ccc2c(c1)CC(=O)N(C)C[C@H](C)[C@H](CN(C)C(C)=O)O2 ZINC000095665104 FD Annotated Anodyne C[C@H]1CN(C)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)C ZINC000095665139 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C)C1 ZINC000095666088 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C)C1 ZINC000095666090 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C)C1 ZINC000095666159 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C)C1 ZINC000095666161 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095666789 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095666816 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095666822 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095666824 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095666856 FD Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccccc1)C(=O)NC1CCCC1 ZINC000095666860 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@H]2CNC(=O)C2CC2)cc1 ZINC000095667021 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@@H]2CNC(=O)C2CC2)cc1 ZINC000095667063 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC(C)C)cc2)[C@@H]1CNC(C)=O ZINC000095667239 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)[C@@H]2CNC(=O)CC)cc1 ZINC000095667313 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)[C@H]2CNC(=O)CC)cc1 ZINC000095667392 FD Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CC1CC1)C2 ZINC000095667437 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CC1CC1)C2 ZINC000095667441 FD Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CC1CC1)C2 ZINC000095667571 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)CC1CC1)C2 ZINC000095667574 FD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095667611 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@H]1CNC(=O)C1CCC1 ZINC000095667631 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095667805 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095668206 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(CCOC)C(C)=O)cc1 ZINC000095668327 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095668361 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 ZINC000095668364 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 ZINC000095668369 FD Annotated Anodyne OC[C@@H]1[C@@H](c2ccccc2)C2(CN(CC3CC3)C2)N1Cc1cncnc1 ZINC000095668477 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 ZINC000095668495 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 ZINC000095668500 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095668502 FD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095668525 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095675341 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095675342 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095675343 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095675344 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095675345 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095675346 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095675347 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095675623 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675876 FD Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675877 FD Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675878 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675879 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675880 FD Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675881 FD Annotated Anodyne CN(C)C(=O)C[C@H]1C=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095675882 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095675883 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675980 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675981 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675982 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675983 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675984 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675985 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675986 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675987 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675988 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675989 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675990 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675991 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675992 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)c1ccccc1 ZINC000095675993 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675994 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)c1ccccc1 ZINC000095675995 FD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095676111 FD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095676112 FD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095676113 FD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095676114 FD Annotated Anodyne CCCNC(=O)N[C@H]1C=C[C@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095676115 FD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095676116 FD Annotated Anodyne CCCNC(=O)N[C@@H]1C=C[C@@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095676117 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095677085 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095677088 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095677089 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095677090 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095677091 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095677092 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1cccnc1 ZINC000095677093 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1cccnc1 ZINC000095677095 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095677721 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095677722 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095677723 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095677724 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095677725 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095677726 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095677727 FD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095677989 FD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095677992 FD Annotated Anodyne O=C(N[C@@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095677993 FD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095677994 FD Annotated Anodyne O=C(N[C@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095677995 FD Annotated Anodyne O=C(N[C@H]1C=C[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095677996 FD Annotated Anodyne O=C(N[C@@H]1C=C[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095677997 FD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)NC[C@H]1C ZINC000095688902 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)NC[C@@H]1C ZINC000095688903 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)NC[C@@H]1C ZINC000095688904 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)NC[C@H]1C ZINC000095688905 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)NC[C@H]1C ZINC000095688906 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095690812 FD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691078 FD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)NC[C@@H]1C ZINC000095691104 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)NC[C@H]1C ZINC000095691210 FD Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691279 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)NC[C@H]1C ZINC000095691291 FD Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)NC[C@@H]1C ZINC000095691377 FD Annotated Anodyne CNC[C@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731251 FD Annotated Anodyne CNC[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095731319 FD Annotated Anodyne CNC[C@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731347 FD Annotated Anodyne CNC[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095731522 FD Annotated Anodyne CS(=O)(=O)N[C@@H]1CC(OC2CC2)=CN=C1I ZINC000095731668 FD Annotated Anodyne CS(=O)(=O)N[C@H]1CC(OC2CC2)=CN=C1I ZINC000095731669 FD Annotated Anodyne CS(=O)(=O)Nc1c(I)cncc1OC1CC1 ZINC000095731712 FD Annotated Anodyne CS(=O)(=O)Nc1c(OC2CC2)ccnc1I ZINC000095731715 FD Annotated Anodyne CNC[C@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095731778 FD Annotated Anodyne CS(=O)(=O)Nc1ccc(OC2CC2)c(I)n1 ZINC000095731793 FD Annotated Anodyne CNC[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095731854 FD Annotated Anodyne CS(=O)(=O)Nc1ccnc(I)c1OC1CC1 ZINC000095731886 FD Annotated Anodyne CS(=O)(=O)Nc1cnc(I)c(OC2CC2)c1 ZINC000095731913 FD Annotated Anodyne CS(=O)(=O)Nc1cncc(I)c1OC1CC1 ZINC000095731939 FD Annotated Anodyne CS(=O)(=O)Nc1cncc(OC2CC2)c1I ZINC000095731954 FD Annotated Anodyne CS(=O)(=O)Nc1cc(OC2CC2)c(I)cn1 ZINC000095731992 FD Annotated Anodyne CS(=O)(=O)Nc1cc(I)c(OC2CC2)cn1 ZINC000095732011 FD Annotated Anodyne CS(=O)(=O)Nc1ncc(OC2CC2)cc1I ZINC000095732030 FD Annotated Anodyne CS(=O)(=O)Nc1nccc(I)c1OC1CC1 ZINC000095732059 FD Annotated Anodyne CS(=O)(=O)Nc1nccc(OC2CC2)c1I ZINC000095732071 FD Annotated Anodyne CNC[C@@H]1Oc2ncc(Br)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095732075 FD Annotated Anodyne CNC[C@H]1Oc2ncc(Br)cc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095732087 FD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@@H](CNC)[C@H](C)CN([C@@H](C)CO)S2(=O)=O ZINC000095733349 FD Annotated Anodyne C/C=C/c1ccc2c(c1)O[C@H](CNC)[C@@H](C)CN([C@H](C)CO)S2(=O)=O ZINC000095733883 FD Annotated Anodyne CS(=O)(=O)Nc1cc(OC2CC2)cc(I)n1 ZINC000095734472 FD Annotated Anodyne CS(=O)(=O)N[C@H]1C=C(I)C=C(OC2CC2)C1 ZINC000095734478 FD Annotated Anodyne CS(=O)(=O)N[C@@H]1C=C(I)C=C(OC2CC2)C1 ZINC000095734480 FD Annotated Anodyne CS(=O)(=O)Nc1ncc(I)cc1OC1CC1 ZINC000095734528 FD Annotated Anodyne CS(=O)(=O)Nc1cnc(I)cc1OC1CC1 ZINC000095734546 FD Annotated Anodyne CS(=O)(=O)Nc1nc(I)ccc1OC1CC1 ZINC000095734590 FD Annotated Anodyne CS(=O)(=O)N[C@@H]1CC(OC2CC2)=CC=C1I ZINC000095734602 FD Annotated Anodyne CS(=O)(=O)N[C@H]1CC(OC2CC2)=CC=C1I ZINC000095734604 FD Annotated Anodyne CS(=O)(=O)Nc1cc(I)ncc1OC1CC1 ZINC000095734660 FD Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCO/N=[N+](\[O-])N1CCC[C@H]1C(=O)O ZINC000095783713 FD Annotated Clean CN1C(=O)N[C@@H]2c3ccccc3O[C@@]1(CO)[C@@H]2COC(=O)c1ccccc1 ZINC000095783725 FD Annotated Anodyne COc1ccc(COC[C@]23NC(=O)N[C@H](c4ccccc4O2)[C@H]3CO)cc1 ZINC000095783878 FD Annotated Anodyne CCS(=O)(=O)OCCCCCCNCCCOS(=O)(=O)CC ZINC000095785108 FD Annotated Mild CCCS(=O)(=O)OCCCCCCNCCOS(=O)(=O)CCC ZINC000095785111 FD Annotated Mild O=C1[C@H]2C=C(I)[C@H](C[C@@H]2OCCCCO)[C@@]12CO2 ZINC000095785154 FD Annotated Anodyne CNC(=O)C1=C[C@H](c2ccc(C(=O)OC)cc2)C[C@H](OCCCCO)O1 ZINC000095785461 FD Annotated Anodyne COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 ZINC000095786103 FD Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(O)cc2)OC(=O)C(=O)[C@@H]1c1ccc(O)cc1 ZINC000095786106 FD Annotated Anodyne CCCNC(=O)N1CC2(CN(C)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095793661 FD Annotated Anodyne CCCNC(=O)N1CC2(CN(C)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095793662 FD Annotated Anodyne CCCC(=O)N1CC2(CN[C@@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095793710 FD Annotated Anodyne CCCC(=O)N1CC2(CN[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1 ZINC000095793711 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095793898 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095793900 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095793901 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095793902 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095793904 FD Annotated Anodyne O=C(C1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cncnc1)C2 ZINC000095794016 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095794031 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)Cc1ccccc1 ZINC000095794033 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CNC(=O)C1CCC1 ZINC000095794038 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 ZINC000095794149 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccc1 ZINC000095794151 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccc1 ZINC000095794153 FD Annotated Anodyne CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccn1)C2 ZINC000095794165 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccncc1)C2 ZINC000095794194 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccncc1)C2 ZINC000095794196 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccncc1)C2 ZINC000095794198 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794253 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095794255 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095794308 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794326 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095794328 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794459 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794461 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1cccnc1 ZINC000095794467 FD Annotated Anodyne CCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1cccnc1 ZINC000095794471 FD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095794606 FD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1cncnc1 ZINC000095794607 FD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1cncnc1 ZINC000095794610 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794658 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794659 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(C)=O)C23CN(S(C)(=O)=O)C3)cc1 ZINC000095794661 FD Annotated Anodyne COCC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794722 FD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CCC(F)(F)F ZINC000095794724 FD Annotated Anodyne COCC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CCC(F)(F)F ZINC000095794725 FD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095794775 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095794778 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095794780 FD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccn1)C2 ZINC000095794781 FD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1ccccc1)C2 ZINC000095794782 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(CC1CCOCC1)C2 ZINC000095794801 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095794831 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095794833 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095794835 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095794838 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095794858 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095794955 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095794994 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095794996 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095794998 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCC(C)C)cc3)[C@H]2C1 ZINC000095794999 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCC(C)C)cc3)[C@@H]2C1 ZINC000095795000 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095795001 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCC(C)C)cc1)[C@@H]2CO ZINC000095795002 FD Annotated Mild COCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C4=CCCC4)cc3)[C@@H]2C1 ZINC000095795040 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(C)=O)CC1 ZINC000095796126 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(C)=O)CC1 ZINC000095796127 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095796413 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccccn1 ZINC000095796453 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095796455 FD Annotated Anodyne CS(=O)(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccccn1 ZINC000095796491 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 ZINC000095796553 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095796668 FD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095796669 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 ZINC000095796788 FD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095796855 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095796867 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095796880 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095796925 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095796934 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095797004 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095797010 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095797161 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095797163 FD Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)CN2CCOCC2)[C@H]1CO ZINC000095797193 FD Annotated Mild O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095797230 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095797255 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095797463 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CC(C)C)cc1)[C@@H]2CO ZINC000095798064 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CC(C)C)cc3)[C@@H]2C1 ZINC000095798065 FD Annotated Mild CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 ZINC000095798123 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccncc3)cc1)[C@@H]2CO ZINC000095798145 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095798146 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095798147 FD Annotated Anodyne CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095798148 FD Annotated Anodyne CCCC[C@@H](O)C1=C(C)Cn2c(=O)n(-c3ccccc3)c(=O)n2[C@H]1CO ZINC000095798292 FD Annotated Anodyne C#CCNC(=O)C1=C[C@H](c2ccc(C#C)cc2)C[C@H](OCCCCO)O1 ZINC000095798303 FD Annotated Mild O=C(C1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095798349 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095798383 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095798390 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095798427 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095798429 FD Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@H](C#N)N(C(=O)CN2CCOCC2)[C@H]1CO ZINC000095798437 FD Annotated Mild O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095798487 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095798514 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095798516 FD Annotated Anodyne O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1 ZINC000095808412 FD Annotated Reactive CC(C)(C)OC(=O)NC1(/C=N/NC(=O)CCCCC(=O)NO)CCCC1 ZINC000095808566 FD Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1c(CO)cnc(C)c1O ZINC000095808674 FD Annotated Reactive COC(=O)CCCCCCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1 ZINC000095808912 FD Annotated Reactive O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095864432 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CC1 ZINC000095864442 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095864449 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095864479 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095864521 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N[C@@H]21 ZINC000095864528 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095864538 FD Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(C)=O)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095864572 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(C)=O)C1 ZINC000095864892 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(C)=O)C1 ZINC000095864893 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865089 FD Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(C(=O)NC(C)C)C1 ZINC000095865090 FD Annotated Anodyne CCC(=O)N1CC2(C1)CN(C(C)=O)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 ZINC000095865302 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095865625 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095866468 FD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)CC1CC1 ZINC000095866473 FD Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095866487 FD Annotated Mild O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095866489 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866499 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866500 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(=O)NC2CCCC2)[C@@H]1CO ZINC000095866579 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866621 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO ZINC000095866622 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866625 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866628 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 ZINC000095866631 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@H]2C1 ZINC000095866633 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095866643 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095866719 FD Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@H](C#N)N(C(=O)CN2CCOCC2)[C@H]1CO ZINC000095866812 FD Annotated Mild C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N[C@@H](C(=O)NC2CCCC2)[C@@H]1CO ZINC000095866874 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095866909 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095866911 FD Annotated Anodyne O=C(C1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)CC1CC1 ZINC000095866964 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(=O)NC2CCCC2)[C@H]1CO ZINC000095866992 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095866995 FD Annotated Anodyne CC(C)NC(=O)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCC1 ZINC000095867019 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(C(=O)CC2CC2)C1 ZINC000095867786 FD Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(C(=O)CC2CC2)C1 ZINC000095867787 FD Annotated Anodyne CCC(=O)N1CC2(CN(C(C)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO ZINC000095867815 FD Annotated Anodyne CCC(=O)N1CC2(CN(C(C)=O)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO ZINC000095867816 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccccc1 ZINC000095869267 FD Annotated Anodyne C/C=C/c1ccccc1[C@@H]1[C@@H](C#N)N(C(=O)CN2CCOCC2)[C@@H]1CO ZINC000095869273 FD Annotated Mild CC(C)NC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CC1 ZINC000095869320 FD Annotated Anodyne CCCNC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 ZINC000095869386 FD Annotated Anodyne C/C=C/c1ccccc1[C@H]1[C@@H](C#N)N(C(=O)CN2CCOCC2)[C@H]1CO ZINC000095869448 FD Annotated Mild CCC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 ZINC000095871400 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095871401 FD Annotated Anodyne CCC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 ZINC000095871402 FD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(C(=O)c1ccccc1)C2 ZINC000095871677 FD Annotated Anodyne CCS(=O)(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1 ZINC000095871748 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095871753 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095871754 FD Annotated Anodyne CCS(=O)(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1CC1CCCC1 ZINC000095871824 FD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccc(C#CC(C)C)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095871879 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(CCOC)C(C)=O)cc1 ZINC000095871936 FD Annotated Anodyne O=C(NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cncnc2)cc1)C1CCCC1 ZINC000095871940 FD Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(C#CC2CCCCC2)cc1 ZINC000095871970 FD Annotated Mild CNC[C@@H]1Oc2ncc(C#CCC(C)C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095871988 FD Annotated Mild C/C=C/c1ccccc1[C@@H]1[C@@H](CO)N(C(=O)CN2CCOCC2)[C@H]1C#N ZINC000095871994 FD Annotated Mild C/C=C/c1ccccc1[C@H]1[C@@H](CO)N(C(=O)CN2CCOCC2)[C@H]1C#N ZINC000095871996 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)CN(C)C)[C@H]2CN(C)C(C)=O)cc1 ZINC000095872013 FD Annotated Anodyne CCS(=O)(=O)N(C)C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C#CC(C)C)cc1 ZINC000095872017 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](CO)N(S(C)(=O)=O)[C@H]2CNC(C)C)cc1 ZINC000095872038 FD Annotated Anodyne CC(=O)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)Cc1ccccc1 ZINC000095872069 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095872080 FD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095872084 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccccc1 ZINC000095872086 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@H](CO)O1)NCc1ccccc1 ZINC000095872090 FD Annotated Anodyne CC(C)N1C[C@@H](CN)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872375 FD Annotated Anodyne CC(C)N1C[C@H](CN)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872386 FD Annotated Anodyne CCC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(C#CCOC)cc1)[C@@H]2CO ZINC000095875206 FD Annotated Mild CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(C#CCOC)cc1)[C@@H]2CO ZINC000095875207 FD Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCOC)cc3)[C@@H]2C1 ZINC000095875208 FD Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCOC)cc3)[C@@H]2C1 ZINC000095875209 FD Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(C#CCOC)cc3)[C@H]2C1 ZINC000095875210 FD Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(C#CCOC)cc3)[C@@H]2C1 ZINC000095875211 FD Annotated Mild CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(C#CCOC)cc3)[C@@H]2C1 ZINC000095875212 FD Annotated Mild CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(C#CCOC)cc3)[C@H]2C1 ZINC000095875213 FD Annotated Mild CCCNC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCC2)c3=O)[C@@H]1CO ZINC000095878970 FD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2 ZINC000095878971 FD Annotated Anodyne CCCNC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095878974 FD Annotated Anodyne CCCNC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095878975 FD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C ZINC000095879001 FD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095879002 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC2CC2)[C@@H](C(=O)N(C)C)[C@@H]1CO ZINC000095879277 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(CC3CC3)[C@@H]21 ZINC000095879278 FD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C ZINC000095880431 FD Annotated Anodyne COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C ZINC000095880432 FD Annotated Anodyne CCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 ZINC000095880459 FD Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880460 FD Annotated Anodyne CCCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)OC ZINC000095880613 FD Annotated Anodyne CCCN1[C@H](C(=O)OC)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095880614 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1CC1CC1 ZINC000095880752 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1CC1CC1 ZINC000095880753 FD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C ZINC000095880754 FD Annotated Anodyne CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C ZINC000095880755 FD Annotated Anodyne CCCNC(=O)[C@H]1N[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]2[C@@H]1CO ZINC000095880869 FD Annotated Anodyne CCCNC(=O)[C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO ZINC000095880870 FD Annotated Anodyne CCCNC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(C2=CCCCC2)c3=O)[C@@H]1CO ZINC000095880873 FD Annotated Anodyne CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 ZINC000095880874 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@@H]1N[C@H]2[C@H](C(=O)NC2CCCCC2)[C@H]1CO ZINC000095881152 FD Annotated Anodyne C/C=C/c1ccc2n(c1=O)C[C@H]1N[C@@H]2[C@@H](C(=O)NC2CCCCC2)[C@@H]1CO ZINC000095881153 FD Annotated Anodyne CCN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N(C)C ZINC000095881203 FD Annotated Anodyne CCN1[C@H](C(=O)N(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 ZINC000095881204 FD Annotated Anodyne CO[C@@H]1CCCN2[C@H]([C@@H]3C[C@H](C)C(=O)O3)CC[C@H]2[C@]12C[C@@H](C)C(=O)O2 ZINC000095884427 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@H]([C@@H]5C[C@@H]42)[C@H]13 ZINC000095884431 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H](O)[C@@H]([C@@H]5C[C@@H]42)[C@@H]13 ZINC000095884434 FD Annotated Anodyne CC(=O)N1c2ccccc2[C@]23CCN4CC5=CCO[C@@H](O)[C@H]([C@H]5C[C@H]42)[C@@H]13 ZINC000095884435 FD Annotated Anodyne C=C1C[C@@]23C[C@]1(O)CC[C@@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@@H]2[C@@H]3C(=O)O ZINC000095884438 FD Annotated Mild in-man C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12CCC[C@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000095884440 FD Annotated Mild C=C1C[C@@]23C[C@]1(O)CC[C@H]2[C@@]12CCC[C@@](C(=O)O)(C(=O)O1)[C@H]2[C@@H]3C(=O)O ZINC000095884442 FD Annotated Mild in-man endogenous C/C=C(/C)C(=O)O[C@H]1CC[C@H]2[C@H]3CN4C(=O)CCC[C@@H]4[C@@H](CN2C1)C3=O ZINC000095884455 FD Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@H]2[C@H]3CN4C(=O)CCC[C@H]4[C@@H](CN2C1)C3=O ZINC000095884457 FD Annotated Anodyne COC1=C(OC)[C@@]23CCc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@H]1O ZINC000095884459 FD Annotated Anodyne COC(=O)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2F)c3=O)[C@@H]1CO ZINC000095884585 FD Annotated Anodyne COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2 ZINC000095884586 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095884695 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095884696 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095884697 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095884698 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095884699 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCC2)O1 ZINC000095884700 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095884701 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCC2)O1 ZINC000095884702 FD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886289 FD Annotated Anodyne CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886290 FD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886291 FD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886292 FD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886293 FD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886294 FD Annotated Anodyne CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccccc2F)O1 ZINC000095886295 FD Annotated Anodyne CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccccc2F)O1 ZINC000095886296 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095887039 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095887040 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095887041 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095887042 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095887043 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095887044 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1 ZINC000095887045 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCCCC2)O1 ZINC000095887046 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887055 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887056 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887057 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887058 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887059 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887060 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887061 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887062 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887063 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C)O1)c1ccccc1 ZINC000095887064 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887065 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887066 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C)O1)c1ccccc1 ZINC000095887067 FD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1 ZINC000095887209 FD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1 ZINC000095887210 FD Annotated Anodyne COC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1 ZINC000095887211 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CCC(F)(F)F)O1 ZINC000095887212 FD Annotated Anodyne COC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1 ZINC000095887213 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CCC(F)(F)F)O1 ZINC000095887214 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CCC(F)(F)F)O1 ZINC000095887215 FD Annotated Anodyne COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CCC(F)(F)F)O1 ZINC000095887216 FD Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893301 FD Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893302 FD Annotated Anodyne O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893303 FD Annotated Anodyne O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893304 FD Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893309 FD Annotated Anodyne O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893310 FD Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CC1 ZINC000095893311 FD Annotated Anodyne O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CC1 ZINC000095893312 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095893463 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCC1 ZINC000095893464 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095893465 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCC1 ZINC000095893466 FD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)NC(C)C ZINC000095893557 FD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)NC(C)C ZINC000095893558 FD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)NC(C)C ZINC000095893559 FD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)NC(C)C ZINC000095893560 FD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)NCCC ZINC000095893603 FD Annotated Anodyne CCCNC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)NCCC ZINC000095893604 FD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)NCCC ZINC000095893605 FD Annotated Anodyne CCCNC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)NCCC ZINC000095893606 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893660 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 ZINC000095893661 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893662 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 ZINC000095893663 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@@H]21 ZINC000095893697 FD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@@H]21 ZINC000095893698 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccccc3)C[C@H]21 ZINC000095893699 FD Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893700 FD Annotated Anodyne CC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893742 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000095893743 FD Annotated Anodyne CC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000095893744 FD Annotated Anodyne CC(=O)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893745 FD Annotated Anodyne CC(C)NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)NC(C)C ZINC000095893757 FD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)NC(C)C ZINC000095893758 FD Annotated Anodyne CC(C)NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)NC(C)C ZINC000095893759 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3cccnc3)C[C@H]21 ZINC000095893926 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095893928 FD Annotated Anodyne COCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cccnc3)C[C@@H]21 ZINC000095893931 FD Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)c3cccnc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095893933 FD Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893936 FD Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095893967 FD Annotated Anodyne CCC(=O)N1[C@@H]2CN(C(=O)c3ccncc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894010 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@H]21 ZINC000095894012 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095894013 FD Annotated Anodyne CC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894080 FD Annotated Anodyne CC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2S(=O)(=O)c1ccccc1 ZINC000095894082 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3cnccn3)C[C@H]21 ZINC000095894239 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cnccn3)C[C@@H]21 ZINC000095894240 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)c3cnccn3)C[C@@H]21 ZINC000095894241 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@H]21 ZINC000095894252 FD Annotated Anodyne COCC(=O)N1[C@@H]2CN(C(=O)c3ccncc3)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894253 FD Annotated Anodyne COCC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)c3ccncc3)C[C@@H]21 ZINC000095894254 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095894291 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095894292 FD Annotated Anodyne COCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCCCC1 ZINC000095894293 FD Annotated Anodyne COCC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCCCC1 ZINC000095894294 FD Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894337 FD Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 ZINC000095894338 FD Annotated Anodyne O=C(C1CC1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894339 FD Annotated Anodyne O=C(C1CC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 ZINC000095894340 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@H]2c3ccccc3N(C(=O)NC(C)C)C[C@H]21 ZINC000095894370 FD Annotated Anodyne CCCNC(=O)N1[C@@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095894371 FD Annotated Anodyne CCCNC(=O)N1[C@H](CO)[C@@H]2c3ccccc3N(C(=O)NC(C)C)C[C@@H]21 ZINC000095894372 FD Annotated Anodyne CCCNC(=O)N1[C@@H]2CN(C(=O)NC(C)C)c3ccccc3[C@@H]2[C@@H]1CO ZINC000095894373 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894821 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894822 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894823 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C)S(C)(=O)=O)cc1 ZINC000095894824 FD Annotated Anodyne CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)S(C)(=O)=O ZINC000095894889 FD Annotated Anodyne CN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCCC2)cc1)S(C)(=O)=O ZINC000095894890 FD Annotated Anodyne CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)S(C)(=O)=O ZINC000095894891 FD Annotated Anodyne CN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCCC2)cc1)S(C)(=O)=O ZINC000095894892 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CC3)[C@H]2CNS(C)(=O)=O)cc1 ZINC000095894946 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)CN(C)C)cc1 ZINC000095895001 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@@H]2CN(C)C(=O)CN(C)C)cc1 ZINC000095895002 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(C)=O)[C@H]2CN(C)C(=O)CN(C)C)cc1 ZINC000095895003 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895156 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895157 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895158 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895159 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895160 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895161 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1C(C)=O ZINC000095895162 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(C)=O ZINC000095895163 FD Annotated Anodyne COCCN(C[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)=O ZINC000095895210 FD Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2cccnc2)cc1)C(C)=O ZINC000095895211 FD Annotated Anodyne COCCN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(-c2cccnc2)cc1)C(C)=O ZINC000095895212 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CN(C)S(C)(=O)=O)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895226 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)S(C)(=O)=O)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895227 FD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CC1)C(C)=O ZINC000095895251 FD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CC1)C(C)=O ZINC000095895252 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CN(C)C(=O)CN(C)C)N(C(C)=O)[C@H]2CO)cc1 ZINC000095895391 FD Annotated Anodyne COCC(=O)N(C)C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)NC(C)C ZINC000095895429 FD Annotated Anodyne COCC(=O)N(C)C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)NC(C)C ZINC000095895430 FD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895450 FD Annotated Anodyne CCN(C[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895451 FD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895452 FD Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895453 FD Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895454 FD Annotated Anodyne CCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895455 FD Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895456 FD Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(C)=O)C(=O)c1ccccn1 ZINC000095895457 FD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895463 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895464 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895465 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895466 FD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895467 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895468 FD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895469 FD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1cccnc1 ZINC000095895470 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)COC)[C@H]2CNC(=O)CC)cc1 ZINC000095895509 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@H]2CNC(=O)CC)cc1 ZINC000095895510 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CNC(=O)CC)N(C(=O)COC)[C@H]2CO)cc1 ZINC000095895511 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@H](CO)N(C(=O)COC)[C@H]2CNC(=O)CC)cc1 ZINC000095895512 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)COC)[C@@H]2CNC(=O)CC)cc1 ZINC000095895513 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNC(=O)CC)N(C(=O)COC)[C@H]2CO)cc1 ZINC000095895514 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)COC)[C@H]2CNC(=O)CC)cc1 ZINC000095895515 FD Annotated Anodyne C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)COC)[C@@H]2CNC(=O)CC)cc1 ZINC000095895516 FD Annotated Anodyne CN(C[C@@H]1N[C@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)S(C)(=O)=O ZINC000095895526 FD Annotated Anodyne CN(C[C@H]1N[C@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)S(C)(=O)=O ZINC000095895527 FD Annotated Anodyne CN(C[C@@H]1N[C@@H](CO)[C@@H]1c1ccc(C2=CCCC2)cc1)S(C)(=O)=O ZINC000095895528 FD Annotated Anodyne CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(C2=CCCC2)cc1)S(C)(=O)=O ZINC000095895529 FD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895573 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895574 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895575 FD Annotated Anodyne CC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895576 FD Annotated Anodyne CC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895577 FD Annotated Anodyne CC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)Cc1ccncc1 ZINC000095895578 FD Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095895589 FD Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095895590 FD Annotated Anodyne O=C(NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095895591 FD Annotated Anodyne O=C(NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1Cc1ccccn1)C1CC1 ZINC000095895592 FD Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@H]1c1ccc(-c2ccccc2F)cc1 ZINC000095895753 FD Annotated Anodyne COCC(=O)NC[C@H]1N[C@H](CO)[C@@H]1c1ccc(-c2ccccc2F)cc1 ZINC000095895754 FD Annotated Anodyne COCC(=O)NC[C@@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccccc2F)cc1 ZINC000095895755 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@H]1CN(C(C)C)S(C)(=O)=O ZINC000095895791 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(C)C)S(C)(=O)=O ZINC000095895792 FD Annotated Anodyne CCC(=O)N1[C@H](CN(C(C)C)S(C)(=O)=O)[C@@H](c2ccccc2)[C@@H]1CO ZINC000095895793 FD Annotated Anodyne CCC(=O)N1[C@H](CN(C(C)C)S(C)(=O)=O)[C@H](c2ccccc2)[C@@H]1CO ZINC000095895794 FD Annotated Anodyne CCC(=O)N1[C@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(C)C)S(C)(=O)=O ZINC000095895795 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@H](c2ccccc2)[C@@H]1CN(C(C)C)S(C)(=O)=O ZINC000095895796 FD Annotated Anodyne CCC(=O)N1[C@@H](CO)[C@@H](c2ccccc2)[C@@H]1CN(C(C)C)S(C)(=O)=O ZINC000095895797 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 ZINC000095895915 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 ZINC000095895916 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 ZINC000095895917 FD Annotated Anodyne COCC(=O)NC[C@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 ZINC000095895918 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 ZINC000095895919 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1C(=O)c1ccccc1 ZINC000095895920 FD Annotated Anodyne COCC(=O)NC[C@@H]1[C@H](c2ccccc2)[C@H](CO)N1C(=O)c1ccccc1 ZINC000095895921 FD Annotated Anodyne COCCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(C)=O ZINC000095895944 FD Annotated Anodyne COCCN(C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)C1CCC1)C(C)=O ZINC000095895945 FD Annotated Anodyne COCCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(C)=O ZINC000095895946 FD Annotated Anodyne COCCN(C[C@@H]1[C@H](c2ccccc2)[C@@H](CO)N1C(=O)C1CCC1)C(C)=O ZINC000095895947 FD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@H](CO)N1S(C)(=O)=O)C(=O)C1CC1 ZINC000095895948 FD Annotated Anodyne CCN(C[C@H]1[C@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)C1CC1 ZINC000095895949 FD Annotated Anodyne CCN(C[C@@H]1[C@@H](c2ccccc2)[C@@H](CO)N1S(C)(=O)=O)C(=O)C1CC1 ZINC000095895950 FD Annotated Anodyne C/C=C/c1ccc([C@H]2[C@@H](CNS(C)(=O)=O)N(CC3CC3)[C@H]2CO)cc1 ZINC000095895971 FD Annotated Anodyne CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]1CO ZINC000095896025 FD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896026 FD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896027 FD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095896028 FD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896029 FD Annotated Mild CN(C)CC(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896030 FD Annotated Mild CN(C)CC(=O)N1[C@H](CO)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095896031 FD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2C#N)cc1 ZINC000095896032 FD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@H]1CO ZINC000095896054 FD Annotated Mild CS(=O)(=O)N1[C@H](CO)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1C#N ZINC000095896055 FD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896056 FD Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896057 FD Annotated Mild CS(=O)(=O)N1[C@@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896058 FD Annotated Mild CS(=O)(=O)N1[C@H](C#N)[C@H](c2ccc(C#CC3CCCC3)cc2)[C@@H]1CO ZINC000095896059 FD Annotated Mild COCC#Cc1ccc([C@@H]2[C@H](C#N)N(C(=O)c3cccnc3)[C@H]2CO)cc1 ZINC000095897750 FD Annotated Mild COCC#Cc1ccc([C@@H]2[C@@H](C#N)N(C(=O)NC3CCCC3)[C@@H]2CO)cc1 ZINC000095897772 FD Annotated Mild CN(C)CC#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCC3)[C@H]2C#N)cc1 ZINC000095897930 FD Annotated Mild CCCNC(=O)N1[C@H](CO)[C@H](c2ccc(C#CCN(C)C)cc2)[C@@H]1C#N ZINC000095898009 FD Annotated Mild N#C[C@@H]1[C@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095898123 FD Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@H](CO)N1C(=O)C1CC1 ZINC000095898124 FD Annotated Mild N#C[C@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095898125 FD Annotated Mild N#C[C@@H]1[C@@H](c2ccc(C#CC3(O)CCCC3)cc2)[C@@H](CO)N1C(=O)C1CC1 ZINC000095898126 FD Annotated Mild CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]1CO ZINC000095898181 FD Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095898285 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095898286 FD Annotated Mild C/C=C/c1ccc([C@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@@H]2CO)cc1 ZINC000095898287 FD Annotated Mild C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN3CCOCC3)[C@H]2C#N)cc1 ZINC000095898288 FD Annotated Mild C/C=C/c1ccc([C@@H]2[C@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1 ZINC000095898289 FD Annotated Mild O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900872 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900873 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095900874 FD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095900875 FD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900876 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900877 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095900878 FD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095900879 FD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095901175 FD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095901176 FD Annotated Anodyne O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901177 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901178 FD Annotated Anodyne O=C(O)C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095901179 FD Annotated Anodyne O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095901180 FD Annotated Anodyne CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095901863 FD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@H]1O2 ZINC000095901864 FD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@@H]1O2 ZINC000095901865 FD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901866 FD Annotated Clean CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCC3CC3)O[C@@H](CO)[C@@H]1O2 ZINC000095901867 FD Annotated Clean CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCC3CC3)O[C@H](CO)[C@H]1O2 ZINC000095901868 FD Annotated Clean CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903273 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903274 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903275 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903276 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903277 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903278 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCCC3)[C@H](CO)O2)nn1 ZINC000095903279 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCCC3)[C@@H](CO)O2)nn1 ZINC000095903280 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903609 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903610 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903611 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903612 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903613 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903614 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO ZINC000095903615 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO ZINC000095903616 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO)c1ccncc1 ZINC000095903698 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@H]1CO)c1ccncc1 ZINC000095903699 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903700 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903701 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO)c1ccncc1 ZINC000095903702 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903703 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CCNC(=O)C2CCC2)O[C@H]1CO)c1ccncc1 ZINC000095903704 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CCNC(=O)C2CCC2)O[C@@H]1CO)c1ccncc1 ZINC000095903705 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095903810 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095903811 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095903812 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095903813 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095903814 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095903815 FD Annotated Anodyne CCCNC(=O)N[C@H]1CC[C@H](CC(=O)NC2CCCCC2)O[C@H]1CO ZINC000095903816 FD Annotated Anodyne CCCNC(=O)N[C@@H]1CC[C@@H](CC(=O)NC2CCCCC2)O[C@@H]1CO ZINC000095903817 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903874 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903876 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903878 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903879 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903881 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903883 FD Annotated Anodyne CCCc1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903885 FD Annotated Anodyne CCCc1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903886 FD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903921 FD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903922 FD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903923 FD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903924 FD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903925 FD Annotated Anodyne CC(C)c1cn(CC[C@H]2CC[C@H](NC(=O)C3CCC3)[C@H](CO)O2)nn1 ZINC000095903926 FD Annotated Anodyne CC(C)c1cn(CC[C@@H]2CC[C@@H](NC(=O)C3CCC3)[C@@H](CO)O2)nn1 ZINC000095903928 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904108 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904109 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904110 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904111 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904112 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904113 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904114 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904115 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904116 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904117 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904118 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904119 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904120 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904121 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904122 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904123 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904147 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904148 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904149 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904150 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904151 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904152 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904153 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904154 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904155 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904156 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904157 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904158 FD Annotated Anodyne C[C@@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904159 FD Annotated Anodyne C[C@@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904160 FD Annotated Anodyne C[C@H](NC(=O)C[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccccc1 ZINC000095904161 FD Annotated Anodyne C[C@H](NC(=O)C[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccccc1 ZINC000095904162 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095904349 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095904350 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095904351 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095904352 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095904353 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095904354 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCc3ccccc3C2)O[C@H]1CO)C1CC1 ZINC000095904356 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCc3ccccc3C2)O[C@@H]1CO)C1CC1 ZINC000095904358 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904398 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904399 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904400 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904401 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904402 FD Annotated Anodyne O=C(C[C@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904403 FD Annotated Anodyne O=C(C[C@H]1C=C[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904404 FD Annotated Anodyne O=C(C[C@@H]1C=C[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904405 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904526 FD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904527 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904528 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904529 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)C2CCC2)[C@H](CO)O1)NC1CCCCC1 ZINC000095904530 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904531 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)C2CCC2)[C@@H](CO)O1)NC1CCCCC1 ZINC000095904532 FD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095904567 FD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095904568 FD Annotated Anodyne O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095904569 FD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095904570 FD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095904571 FD Annotated Anodyne O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095904572 FD Annotated Anodyne O=C(NCC[C@H]1CC[C@H](NC(=O)C2CC2)[C@H](CO)O1)c1ccc(F)cc1 ZINC000095904573 FD Annotated Anodyne O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CC2)[C@@H](CO)O1)c1ccc(F)cc1 ZINC000095904574 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO ZINC000095905864 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO ZINC000095905865 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO ZINC000095905866 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO ZINC000095905867 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO ZINC000095905868 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO ZINC000095905869 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccccc2OC)O[C@@H]1CO ZINC000095905870 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccccc2OC)O[C@H]1CO ZINC000095905871 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095905872 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905873 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095905874 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905875 FD Annotated Anodyne O=C(N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095905876 FD Annotated Anodyne O=C(N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905877 FD Annotated Anodyne O=C(N[C@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO)c1ccccn1 ZINC000095905878 FD Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO)c1ccccn1 ZINC000095905879 FD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095906191 FD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095906192 FD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095906193 FD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095906194 FD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095906195 FD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095906196 FD Annotated Anodyne CC(C)NC(=O)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO ZINC000095906197 FD Annotated Anodyne CC(C)NC(=O)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@@H]1CO ZINC000095906198 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906317 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906318 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906319 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906320 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906322 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@H]1C=C[C@H](CC(=O)N2CCCCC2)O[C@H]1CO ZINC000095906323 FD Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C=C[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO ZINC000095906325 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO ZINC000095906974 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO ZINC000095906975 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO ZINC000095906976 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO ZINC000095906977 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO ZINC000095906978 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO ZINC000095906979 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(OC)cc2)O[C@@H]1CO ZINC000095906980 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(OC)cc2)O[C@H]1CO ZINC000095906981 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO ZINC000095907204 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO ZINC000095907205 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO ZINC000095907206 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO ZINC000095907207 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO ZINC000095907208 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO ZINC000095907209 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CCNC(=O)Nc2ccc(F)cc2)O[C@H]1CO ZINC000095907210 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CCNC(=O)Nc2ccc(F)cc2)O[C@@H]1CO ZINC000095907211 FD Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907249 FD Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907250 FD Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907251 FD Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907252 FD Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907253 FD Annotated Anodyne CC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907254 FD Annotated Anodyne CC(=O)N[C@H]1CC[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907255 FD Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907256 FD Annotated Anodyne CC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907319 FD Annotated Anodyne CC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907320 FD Annotated Anodyne CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907321 FD Annotated Anodyne CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907322 FD Annotated Anodyne CC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907323 FD Annotated Anodyne CC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@@H]1CO ZINC000095907324 FD Annotated Anodyne CC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccc(Cl)cc2)O[C@H]1CO ZINC000095907325 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907468 FD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907469 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907470 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907471 FD Annotated Anodyne O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907472 FD Annotated Anodyne O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907473 FD Annotated Anodyne O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccccc1 ZINC000095907474 FD Annotated Anodyne O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccccc1 ZINC000095907475 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095907750 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095907751 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095907752 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095907753 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095907754 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095907755 FD Annotated Anodyne CN(C)C(=O)C[C@H]1CC[C@H](NC(=O)Nc2cccc(F)c2)[C@H](CO)O1 ZINC000095907756 FD Annotated Anodyne CN(C)C(=O)C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(F)c2)[C@@H](CO)O1 ZINC000095907757 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095908054 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095908055 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095908056 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095908057 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095908058 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095908059 FD Annotated Anodyne CCC(=O)N[C@H]1CC[C@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@H]1CO ZINC000095908060 FD Annotated Anodyne CCC(=O)N[C@@H]1CC[C@@H](CC(=O)NCc2cc(F)cc(F)c2)O[C@@H]1CO ZINC000095908061 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095908161 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095908162 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095908163 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095908164 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095908165 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095908166 FD Annotated Anodyne CCC(=O)N[C@H]1C=C[C@H](CC(=O)NCc2ccccc2F)O[C@H]1CO ZINC000095908167 FD Annotated Anodyne CCC(=O)N[C@@H]1C=C[C@@H](CC(=O)NCc2ccccc2F)O[C@@H]1CO ZINC000095908168 FD Annotated Anodyne C=C1[C@@H]2C[C@H](OC(C)=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@@H]1OC(C)=O ZINC000095909303 FD Annotated Mild in-vitro biogenic CC1=C(O)C(=O)[C@@H]2[C@@]3(C)C(=O)[C@@H](O)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]1[C@@]23C ZINC000095909376 FD Annotated Mild in-vitro biogenic CC1=C(C(C)C)C[C@@]2(O)[C@@]3(C)CC(=O)O[C@@]4(C(=O)[C@H](C)CC[C@]34O)[C@@]12O ZINC000095909488 FD Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C[C@@]23c4cc5c(cc4N(CO[C@@H]2COC(C)=O)C[C@@H]3C1)OCO5 ZINC000095909905 FD Annotated Clean in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000095910150 FD Annotated Mild in-vitro biogenic C[C@H]1C[C@H](O)[C@]2(C)[C@H]([C@H](O)C[C@H](O)[C@]23CO3)[C@]1(C)C[C@H](O)c1ccoc1 ZINC000095910182 FD Annotated Anodyne in-vitro biogenic CO[C@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)/C=C\c2ccc(O)cc2)O1 ZINC000095910210 FD Annotated Anodyne in-vitro biogenic CO[C@@H]1C[C@@H]2[C@@H]3[C@@H](OC[C@]3(O)C[C@H]2OC(=O)/C=C\c2ccc(O)cc2)O1 ZINC000095910211 FD Annotated Anodyne in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)C(=O)[C@H]2[C@]31C ZINC000095910373 FD Annotated Mild in-vitro biogenic COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C=O)=C(C)OC[C@@H]21 ZINC000095910396 FD Annotated Reactive in-vitro biogenic COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C=O)=COC[C@@H]21 ZINC000095910397 FD Annotated Reactive in-vitro biogenic C=C1C(=O)O[C@H]2[C@H]1C[C@H](O)C(=C)[C@@H]1C[C@H](OC(C)=O)[C@@H](COC(C)=O)[C@@H]12 ZINC000095910474 FD Annotated Mild in-vitro biogenic C[C@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12COC(=O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O ZINC000095911176 FD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2CC[C@H]3[C@@]45CO[C@](O)([C@@H](O)[C@@H]4C(C)(C)CC[C@H]5O)[C@]3(C2)[C@@H]1O ZINC000095911197 FD Annotated Mild in-vitro biogenic CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@H](O)C(=O)[C@H]2[C@]31C ZINC000095911225 FD Annotated Mild in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@@H](O)C1)O2 ZINC000095911248 FD Annotated Anodyne in-vitro biogenic C=C[C@@]12CN(C)[C@H]3[C@@H]4CO[C@@H](C[C@@H]41)[C@@]1(C(=O)N(OC)c4ccccc41)[C@H]32 ZINC000095911594 FD Annotated Mild in-vitro biogenic COC(=O)[C@H]1C[C@]23CC[C@@]14Nc1ccccc1[C@@]41CCN(CC[C@@H]2O)[C@H]31 ZINC000095912107 FD Annotated Anodyne in-vitro biogenic COC(=O)[C@@]1(O)C[C@@]23C=CC[N+]4([O-])CC[C@@]5(c6ccccc6N[C@]15[C@H]2C)[C@H]34 ZINC000095912267 FD Annotated Bother in-vitro biogenic CN1CC=C2C=C3OCO[C@@H]3C=C2[C@@]12OCc1c(ccc3c1OCO3)C2=O ZINC000095912295 FD Annotated Anodyne in-vitro biogenic CC1=CC[C@H](O)[C@]2(C)[C@@H](O)CC/C(C)=C\[C@@H]3OC(=O)[C@]4(C)O[C@]34[C@@H](O)[C@@H]12 ZINC000095912548 FD Annotated Anodyne in-vitro biogenic COC(=O)C1=C2Nc3ccccc3[C@]23CCN2C[C@@](O)(C(C)=O)[C@@H]1C[C@H]23 ZINC000095912708 FD Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]3C(=CC4=C(CO)C(=O)O[C@@]4(O)[C@@H]3O)[C@@H](O)C[C@H]12 ZINC000095912721 FD Annotated Anodyne C[C@@H]1C(=O)[C@@H](O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000095912783 FD Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000095912786 FD Annotated Anodyne in-vitro biogenic C[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000095912787 FD Annotated Anodyne in-vitro biogenic C[C@@H]1C(=O)[C@@H](O)[C@@H]2[C@@](C)(CO)CCC[C@]2(C)[C@@]12CC[C@@]1(CO[C@H](O)C1)O2 ZINC000095912788 FD Annotated Anodyne in-vitro biogenic C=C1[C@H]2CC[C@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3[C@H]2O ZINC000095912793 FD Annotated Mild in-vitro biogenic C[C@]12CCC[C@@]3(C)[C@H]1[C@@H](C[C@@](O)(CO)[C@]3(O)CCc1ccoc1)OC2=O ZINC000095913333 FD Annotated Anodyne in-vitro biogenic C=C1[C@@H]2C[C@H](O)[C@@H]3[C@@](C2)([C@@H]1O)[C@@]1(O)C[C@@H]2C(C)(C)CC[C@H](O)[C@@]32CO1 ZINC000095913469 FD Annotated Mild in-vitro biogenic C=C1[C@H]2C[C@]3([C@@H](C[C@@H]2O)[C@]24CCCC(C)(C)[C@H]2[C@H](O)[C@@]3(O)OC4)[C@@H]1O ZINC000095914042 FD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](O)C[C@@H]4[C@@](C)(CO)[C@H](O)CC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O ZINC000095914208 FD Annotated Mild in-vitro biogenic CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](O)[C@@]3(CC[C@H]12)[C@@H](O)[C@]4(O)CO ZINC000095914246 FD Annotated Anodyne in-vitro biogenic COc1cc(/C=C2\C(=O)[C@H]3C[C@@]45CCO[C@@H]2[C@@]4(COC5=O)O3)ccc1O ZINC000095914480 FD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000095914594 FD Annotated Mild in-vitro biogenic C[C@@H]1OC=C(C(=O)O)[C@H]2C[C@@H]3N(CC[C@]34C(=O)Nc3ccccc34)C[C@@H]12 ZINC000095914607 FD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]1(C)CCC[C@](C)(CO)[C@H]1C[C@H]3O ZINC000095914747 FD Annotated Mild in-vitro biogenic C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(CO)[C@H](O)CCC(C)(C)[C@H]1C[C@H]3O ZINC000095914751 FD Annotated Mild in-vitro biogenic C[C@H]1C(=O)[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC3=O ZINC000095914756 FD Annotated Anodyne in-vitro biogenic C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]1(COC3=O)[C@@H]2CC[C@@]3(C)CO[C@@H](O2)[C@@H]13 ZINC000095915122 FD Annotated Mild C[C@@H]1[C@@H](O)C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)O[C@H]1O ZINC000095918652 FD Annotated Anodyne in-vitro biogenic CC(=O)OC[C@]1(C)O[C@@]12CC(=O)/C(C)=C/CC[C@]1(COC(C)=O)O[C@@H]1C2 ZINC000095918675 FD Annotated Mild in-vitro biogenic CC(=O)C1=CC[C@H]2C3=CCC4=C[C@H](O)[C@@H](O)[C@H](O)[C@]4(C)[C@H]3CC(=O)[C@]12C ZINC000095918951 FD Annotated Anodyne CC(C)C1=C[C@@]2(O)OO[C@@H]3CC(=O)[C@](C)(CO)[C@@H]4CCC(=C2[C@@]34C)C1=O ZINC000095919254 FD Annotated Reactive in-vitro biogenic C[C@H](/C=C/C(=O)C(=O)O)C(=O)CC[C@H]1C(=O)CC[C@]2(C)[C@@H](O)CC[C@H]12 ZINC000095920561 FD Annotated Mild NCCCNC(=O)c1n[nH]c2c1CCc1n[nH]c(Nc3cccc(F)c3)c1-2 ZINC000095920715 FD Annotated Anodyne CCn1nc(C(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)ccc1=O ZINC000095956652 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CCC[C@H]2CO)O1 ZINC000096019136 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@H](O)C2)O1 ZINC000096019137 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CC[C@@H](O)C2)O1 ZINC000096019138 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2c(cccc2N2CCC[C@@H]2CO)O1 ZINC000096019147 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CCC[C@@H]3CO)cc2O1 ZINC000096019152 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CCC[C@H]3CO)cc2O1 ZINC000096019153 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@H](O)C3)cc2O1 ZINC000096019154 FD Annotated Anodyne C[C@@H]1CCN(C2CC2)S(=O)(=O)c2ccc(N3CC[C@@H](O)C3)cc2O1 ZINC000096019155 FD Annotated Anodyne CN(C)[C@H]1CCN(c2cccc3c2S(=O)(=O)N(C2CC2)CCCO3)C1 ZINC000096019159 FD Annotated Anodyne CN(C)[C@@H]1CCN(c2cccc3c2S(=O)(=O)N(C2CC2)CCCO3)C1 ZINC000096019160 FD Annotated Anodyne O=S1(=O)c2c(cccc2N2CCC[C@@H]2CO)OCCCN1C1CC1 ZINC000096019161 FD Annotated Anodyne O=S1(=O)c2c(cccc2N2CCC[C@H]2CO)OCCCN1C1CC1 ZINC000096019162 FD Annotated Anodyne CN(C)[C@H]1CCN(c2ccc3c(c2)OCCCN(C2CC2)S3(=O)=O)C1 ZINC000096019200 FD Annotated Anodyne CN(C)[C@@H]1CCN(c2ccc3c(c2)OCCCN(C2CC2)S3(=O)=O)C1 ZINC000096019201 FD Annotated Anodyne O=S1(=O)c2ccc(N3CCC[C@@H]3CO)cc2OCCCN1C1CC1 ZINC000096019202 FD Annotated Anodyne O=S1(=O)c2ccc(N3CCC[C@H]3CO)cc2OCCCN1C1CC1 ZINC000096019203 FD Annotated Anodyne COc1ccc(CNS(=O)(=O)C[C@H]2NCc3cc(OC)ccc32)cc1 ZINC000096020222 FD Annotated Anodyne COc1ccc(CNS(=O)(=O)C[C@@H]2NCc3cc(OC)ccc32)cc1 ZINC000096020223 FD Annotated Anodyne CC(C)CNC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020316 FD Annotated Anodyne CC(C)CNC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020317 FD Annotated Anodyne O=C(NC1CCCC1)[C@@H]1CSCCS(=O)(=O)N1Cc1ccccc1 ZINC000096020322 FD Annotated Anodyne O=C(NC1CCCC1)[C@H]1CSCCS(=O)(=O)N1Cc1ccccc1 ZINC000096020323 FD Annotated Anodyne COC(=O)[C@@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096020380 FD Annotated Anodyne COC(=O)[C@@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096020405 FD Annotated Anodyne COC(=O)[C@H]1CN(CC(C)C)CCS(=O)(=O)N1Cc1ccc(C)cc1 ZINC000096020406 FD Annotated Anodyne C#CCN1C[C@@H](N(C)CCOC(=O)c2cc(C)cc(C)c2)CS1(=O)=O ZINC000096020626 FD Annotated Anodyne C#CCN1C[C@H](N(C)CCOC(=O)c2cc(C)cc(C)c2)CS1(=O)=O ZINC000096020627 FD Annotated Anodyne CN(CCO)c1ccc2c(c1)OC[C@@H](Cc1ccccc1)NS2(=O)=O ZINC000096020865 FD Annotated Anodyne CN(CCO)c1ccc2c(c1)OC[C@H](Cc1ccccc1)NS2(=O)=O ZINC000096020866 FD Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCC[C@H]3CO)c2S(=O)(=O)N1 ZINC000096020882 FD Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCC[C@H]3CO)ccc2S(=O)(=O)N1 ZINC000096020883 FD Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCC[C@@H]3CO)ccc2S(=O)(=O)N1 ZINC000096020887 FD Annotated Anodyne CC(C)C[C@H]1COc2cccc(N3CCC[C@@H]3CO)c2S(=O)(=O)N1 ZINC000096020889 FD Annotated Anodyne CC(C)C[C@H]1COc2cc(N3CCC[C@@H]3CO)ccc2S(=O)(=O)N1 ZINC000096020890 FD Annotated Anodyne CCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1 ZINC000096020994 FD Annotated Anodyne CCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1 ZINC000096020995 FD Annotated Anodyne CN(C)[C@@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096021008 FD Annotated Anodyne CN(C)[C@H]1CN(Cc2cn(Cc3cccc(Cl)c3)nn2)S(=O)(=O)C1 ZINC000096021009 FD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@H](N(C)C)CS3(=O)=O)nn2)c1 ZINC000096021014 FD Annotated Anodyne Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N(C)C)CS3(=O)=O)nn2)c1 ZINC000096021015 FD Annotated Anodyne CN(C)[C@@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096021020 FD Annotated Anodyne CN(C)[C@H]1CN(Cc2cn(Cc3ccc(Cl)cc3)nn2)S(=O)(=O)C1 ZINC000096021021 FD Annotated Anodyne CC(C)C[C@@H]1COc2cccc(N3CCC[C@H]3CO)c2S(=O)(=O)N1 ZINC000096021024 FD Annotated Anodyne CC(C)C[C@@H]1COc2cc(N3CCC[C@H]3CO)ccc2S(=O)(=O)N1 ZINC000096021025 FD Annotated Anodyne O=S1(=O)N[C@H](Cc2ccccc2)COc2cc(N3CCOCC3)ccc21 ZINC000096021146 FD Annotated Anodyne O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(N3CCOCC3)ccc21 ZINC000096021157 FD Annotated Anodyne CCN1CC[C@]2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O ZINC000096036606 FD Annotated Anodyne CCN1CC[C@@]2(CN(C(=O)N(C)C)CC23CCN(CC2CC2)CC3)C1=O ZINC000096036607 FD Annotated Anodyne CNC(=O)[C@@]12CCO[C@@H]1CCN(S(=O)(=O)c1cc(C)cc(C)c1)C2 ZINC000096038773 FD Annotated Anodyne Cn1cccc1C(=O)NCc1cnc2n1CCN(C(=O)N1CCCC1)C2 ZINC000096061972 FD Annotated Anodyne Cc1ccc2c(c1)C1(CCN(S(C)(=O)=O)CC1)CN2C(=O)N(C)C ZINC000096063563 FD Annotated Anodyne O=C(NCCc1ccncc1)[C@H]1C[C@@H]2CCN(c3nncs3)C[C@H]2O1 ZINC000096066151 FD Annotated Anodyne Cn1cc(CN2CC[C@H]3OCC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1 ZINC000096066344 FD Annotated Anodyne Cc1nc(CN2CCCn3c(nc(Cn4cncn4)cc3=O)C2)cs1 ZINC000096068118 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O ZINC000096068565 FD Annotated Mild in-man COCCN1C[C@@H](c2ccccc2)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC000096070349 FD Annotated Anodyne Cc1noc(C)c1CN1CCC[C@@]2(C1)CN(Cc1nccn1C)CCO2 ZINC000096074931 FD Annotated Anodyne Cc1noc(C)c1CN1CCC[C@]2(C1)CN(Cc1nccn1C)CCO2 ZINC000096074932 FD Annotated Anodyne COCCN1CCO[C@@H]2CN(C(=O)c3ccc4[nH]ccc4c3)CC[C@@H]2C1 ZINC000096082348 FD Annotated Anodyne Cc1ccccc1CNC(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 ZINC000096083617 FD Annotated Anodyne CC(C)n1nc(CNc2ncccn2)c2c1CN(S(C)(=O)=O)CC2 ZINC000096084250 FD Annotated Anodyne Cc1ccc(CC(=O)N2CCCn3nnc(Cn4cccn4)c3C2)cc1 ZINC000096084720 FD Annotated Anodyne C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]1(C)[C@@H](O)C[C@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000096085582 FD Annotated Mild in-vitro CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@](C)(O)[C@]2(O)CC1 ZINC000096085836 FD Annotated Mild CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@](C)(O)[C@]2(O)CC1 ZINC000096085837 FD Annotated Mild CC1=C2C(=O)[C@H](C(C)C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@](C)(O)[C@]2(O)CC1 ZINC000096085843 FD Annotated Mild C[C@@H]1CCN2C[C@@]34C[C@@]5(CC(=O)N(C)C5=O)C(C)(C)[C@H]3C[C@@]12C(=O)N4C ZINC000096085954 FD Annotated Anodyne in-vitro COc1c2c(cc3c1OCO3)[C@@]13CCN(C2)[C@@H]1CC[C@H](O)[C@@H]3OC(C)=O ZINC000096085999 FD Annotated Anodyne COC(=O)C[C@H](O)N(C)C(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 ZINC000096086347 FD Annotated Anodyne CCC1=N[C@@]2(CC[C@@H]3CN(S(=O)(=O)CC)C[C@@H]32)C(=O)N1CC(C)C ZINC000096087553 FD Annotated Anodyne CC(C)NC(=O)c1ccc2nnc([C@@H]3CCN(C(=O)NC(C)C)C3)n2c1 ZINC000096088337 FD Annotated Anodyne CC(C)NC(=O)c1ccc2nnc([C@H]3CCN(C(=O)NC(C)C)C3)n2c1 ZINC000096088338 FD Annotated Anodyne C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000096094991 FD Annotated Mild in-vitro C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000096094992 FD Annotated Mild in-vitro C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC ZINC000096094994 FD Annotated Mild in-vitro O=C(c1ccoc1)N1C[C@@H]2C[C@H](NS(=O)(=O)c3cccs3)[C@H]1C2 ZINC000096095745 FD Annotated Anodyne Cc1nnc(N2CC[C@H]3O[C@H](C(=O)NCc4ccccn4)CC[C@H]32)s1 ZINC000096100507 FD Annotated Anodyne Cc1ccnc(OC[C@]23COC[C@H]2CN(C(=O)Cc2ccsc2)C3)n1 ZINC000096111017 FD Annotated Anodyne Cc1ccc(C(=O)N2CC[C@@]3(C[C@@H](NS(C)(=O)=O)CCO3)C2)s1 ZINC000096111233 FD Annotated Anodyne CC(C)CC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)N(C)C)C[C@@H]1C(=O)N2C ZINC000096143595 FD Annotated Anodyne CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC3(O)CCCC3)nc21 ZINC000096168452 FD Annotated Mild CC(=O)N1CC=C(c2nccnc2OC2CN(C(=O)c3ccc[nH]3)C2)CC1 ZINC000096168882 FD Annotated Anodyne C/C(=N\NC(N)=O)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1 ZINC000096169182 FD Annotated Reactive C/C(=N\NC(N)=O)c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096169191 FD Annotated Reactive COc1ccc(Cc2nc3c(N4CCS(=O)(=O)CC4)cccn3n2)cc1 ZINC000096169557 FD Annotated Anodyne c1cncc(CNc2cccn3nc(NCCN4CCOCC4)nc23)c1 ZINC000096169624 FD Annotated Anodyne C/C(=N\OCCO)c1ccc2ncc(Cc3ccc4c(cnn4C)c3)n2n1 ZINC000096170314 FD Annotated Mild C/C(=N\OCCO)c1cnc2ncc(Cc3ccc4ncccc4c3)n2n1 ZINC000096170386 FD Annotated Mild COc1nccc2c1C(c1cc(C(=O)NC3COC3)n(C(C)C)c1)=NC2 ZINC000096175980 FD Annotated Anodyne CCOc1ccccc1N1C(SCC(N)=O)=NNC1=C1C=CC(=O)C=C1 ZINC000096243310 FD Annotated Mild CCCS(=O)(=O)N1CCC2(CC1)CCn1c(-c3cnn(C)c3)cnc12 ZINC000096243501 FD Annotated Anodyne O=S1(=O)CCN(Cc2cccnc2)[C@H]2CCN(c3ncccn3)CC[C@H]21 ZINC000096251619 FD Annotated Anodyne O=C(Nc1ccc(F)cc1)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1 ZINC000096253232 FD Annotated Anodyne Cc1nc(N2CCOCC2)nc2c1CCN(C(=O)NC1CCCC1)CC2 ZINC000096254861 FD Annotated Anodyne O=C(CN1C(=O)C2(OCCCCO2)c2cc(Br)ccc21)NO ZINC000096258361 FD Annotated Bother O=C(CN1CCN(c2ccc(F)cn2)CC1)Nc1nc2c(o1)CCCC2 ZINC000096258502 FD Annotated Anodyne COCCN1C(=O)[C@]2(CC[C@@H]3CN(C(=O)NC4CCCC4)C[C@@H]32)N=C1C ZINC000096261527 FD Annotated Anodyne CCN1C[C@H]2C3(CCN(C(=O)NC(C)C)CC3)CC[C@@]2(C(=O)NC)C1 ZINC000096262445 FD Annotated Anodyne CNC(=O)N1CC[C@@H]2CN(Cc3cccc(Cl)c3)S(=O)(=O)[C@@H]2CC1 ZINC000096263706 FD Annotated Anodyne CCN1C[C@H]2CCN(C(=O)Cc3cccc(OC)c3)CC[C@H]2S1(=O)=O ZINC000096263740 FD Annotated Anodyne COc1cccc(CC(=O)N2CC[C@@H]3CN(C)S(=O)(=O)[C@@H]3CC2)c1 ZINC000096263762 FD Annotated Anodyne O=c1cc(O)n(CCc2ccc(Cl)cc2)c(=O)n1C[C@H]1CCCO1 ZINC000096270143 FD Annotated Anodyne CNc1nc(C)nc(N2CCC(C(=O)NCc3ccccc3C#N)CC2)n1 ZINC000096271652 FD Annotated Mild CC1(C)OC(N[C@@H](CCO)c2cccc(C#N)c2)=NS(=O)(=O)C1(C)C ZINC000096273928 FD Annotated Mild O=S1(=O)N=C(NC23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)O[C@H]2CCCC[C@H]21 ZINC000096273944 FD Annotated Anodyne CNC(=O)C[C@H](NC1=NS(=O)(=O)[C@@H]2CCCC[C@@H]2O1)c1ccccc1 ZINC000096273958 FD Annotated Anodyne NC(=O)C[C@H](NC1=NS(=O)(=O)[C@@H]2CCCC[C@@H]2O1)c1ccccc1 ZINC000096273959 FD Annotated Anodyne CC1=C(C(=O)NCc2ccc(N)cc2)[C@H](C(C)C)N(C(=O)CC(=O)O)O1 ZINC000096283449 FD Annotated Clean CC1=C(C(=O)NCc2ccc(N)cc2)[C@@H](C(C)C)N(C(=O)CC(=O)O)O1 ZINC000096283450 FD Annotated Clean CCOC(=O)CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)Nc2ccc(F)cc2)[C@H]3C1=O ZINC000096286759 FD Annotated Anodyne COc1cc(C2=N[C@H](COC(=O)[C@@H](N)CCSC)CO2)ccc1O ZINC000096299871 FD Annotated Anodyne C#C[C@]1(O)[C@@H]2OC(C)(C)O[C@H]2O[C@@H]1COC(=O)c1ccc(Cl)cc1 ZINC000096336877 FD Annotated Mild C#C[C@@]1(O)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@@H]2OC(C)(C)O[C@@H]21 ZINC000096336878 FD Annotated Mild C#C[C@]1(O)[C@@H]2OC(C)(C)O[C@@H]2O[C@@H]1COC(=O)c1ccc(Cl)cc1 ZINC000096336879 FD Annotated Mild C#C[C@@]1(O)[C@@H](COC(=O)c2ccc(Cl)cc2)O[C@H]2OC(C)(C)O[C@@H]21 ZINC000096336880 FD Annotated Mild C=C1C(=O)[C@@]23[C@@H](C[C@H](O)[C@@H]1[C@H]2O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@H]3O ZINC000096888322 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@]21CO1 ZINC000096888325 FD Annotated Anodyne CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@]21CO1 ZINC000096888375 FD Annotated Anodyne CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21 ZINC000096900782 FD Annotated Bother NC(N)=N/N=C/c1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2n1CCS2 ZINC000096900942 FD Annotated Mild CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)C1=C[C@@H]1O[C@@]13[C@]21CO1 ZINC000096903660 FD Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)[C@@](O)(Cc1ccc(O)cc1)CO2 ZINC000096905620 FD Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CCN3Cc4cc5c(cc4[C@@H]([C@H]23)[C@H]1OC(C)=O)OCO5 ZINC000096906619 FD Annotated Anodyne Cc1ccc(/N=N/c2c(N)n3nc(S(N)(=O)=O)sc3nc2=O)cc1 ZINC000096907268 FD Annotated Clean N#Cc1ccc(-c2ccc3c(c2)OC[C@H]2[C@H](Cn4ccnn4)OC(=O)N32)cn1 ZINC000096907363 FD Annotated Mild CC(=O)O[C@H]1C=C2CCN(C)[C@H]2[C@@H]2c3cc4c(cc3C(=O)O[C@H]12)OCO4 ZINC000096908969 FD Annotated Anodyne O=C(O)c1cn(C[C@H](O)Cn2cncn2)c2cc(Cl)c(F)cc2c1=O ZINC000096909055 FD Annotated Anodyne O=C(O)c1cn(C[C@@H](O)Cn2cncn2)c2cc(Cl)c(F)cc2c1=O ZINC000096909056 FD Annotated Anodyne CCOC(=O)c1cn(C[C@H](O)Cn2cncn2)c2ccc(C)cc2c1=O ZINC000096909273 FD Annotated Anodyne CCOC(=O)c1cn(C[C@@H](O)Cn2cncn2)c2ccc(C)cc2c1=O ZINC000096909274 FD Annotated Anodyne CO[C@H]1C[C@@H]2c3cc4c(cc3C(=O)N(C)[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 ZINC000096909469 FD Annotated Anodyne CO[C@H]1C=C2c3cc4c(cc3C(=O)N(C)[C@H]2[C@@H]2OC(C)(C)O[C@H]12)OCO4 ZINC000096909479 FD Annotated Anodyne NS(=O)(=O)c1ccc(-n2ccc3c(c2=O)C(=O)OC32CCCCC2)cc1 ZINC000096909495 FD Annotated Anodyne CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)c1ccccc1 ZINC000096909511 FD Annotated Anodyne CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]2(C)c1ccccc1 ZINC000096909512 FD Annotated Anodyne CCN(CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]2(C)c1ccccc1 ZINC000096909513 FD Annotated Anodyne CCN(CC)C[C@@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]2(C)c1ccccc1 ZINC000096909514 FD Annotated Anodyne O=C(NC1(C(=O)NO)CCOCC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000096910088 FD Annotated Mild N#Cc1c(O)nc(SC[C@H](O)CN2CCOCC2)nc1-c1ccccc1 ZINC000096910370 FD Annotated Mild N#Cc1c(O)nc(SC[C@@H](O)CN2CCOCC2)nc1-c1ccccc1 ZINC000096910371 FD Annotated Mild N#Cc1c(O)nc(SC[C@H](O)CN2CCOCC2)nc1-c1ccco1 ZINC000096910372 FD Annotated Mild N#Cc1c(O)nc(SC[C@@H](O)CN2CCOCC2)nc1-c1ccco1 ZINC000096910373 FD Annotated Mild CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)c1ccccc1)c(C)[n+]2[O-] ZINC000096911057 FD Annotated Anodyne CCOC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)CC)c(C(F)(F)F)[n+]2[O-] ZINC000096911061 FD Annotated Anodyne COC(=O)c1ccc2c(c1)[n+]([O-])c(C(=O)C(C)C)c(C(F)(F)F)[n+]2[O-] ZINC000096911074 FD Annotated Anodyne COC(=O)c1c(C(F)(F)F)[n+]([O-])c2ccc(C(F)(F)F)cc2[n+]1[O-] ZINC000096911111 FD Annotated Anodyne O=C(O)CCCN1Cc2ccc(NC(=O)CC3CCNCC3)cc2C1=O ZINC000096911147 FD Annotated Anodyne C[C@@H](CC(=O)O)N1Cc2ccc(NC(=O)CC3CCNCC3)cc2C1=O ZINC000096911152 FD Annotated Anodyne C[C@H](CC(=O)O)N1Cc2ccc(NC(=O)CC3CCNCC3)cc2C1=O ZINC000096911153 FD Annotated Anodyne COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2O)c(O)c1 ZINC000096914501 FD Annotated Anodyne O=C(Cc1ccc(Br)cc1)O[C@@H]1CSS(=O)(=O)C1 ZINC000096914523 FD Annotated Reactive O=C(Cc1ccc(Br)cc1)O[C@H]1CSS(=O)(=O)C1 ZINC000096914524 FD Annotated Reactive C=C[C@]1(C)C=C2[C@@H]([C@@H](O)C1)[C@@]1(C)[C@H]([C@@H](O)[C@@H]2O)[C@](C)(C(=O)O)CC[C@H]1O ZINC000096914702 FD Annotated Mild COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1O ZINC000096914907 FD Annotated Clean COc1ccc(-c2nnnn2-c2cc(OC)c(OC)c(OC)c2)c(O)c1N ZINC000096914908 FD Annotated Anodyne O=C(/C=C/c1ccc(CN(CCO)CCc2ccc3c(c2)OCO3)o1)NO ZINC000096915078 FD Annotated Bother COc1cccc(CN2C(=O)[C@@H]3C[C@@H](O)CN3C(=O)c3ccccc32)c1 ZINC000096917667 FD Annotated Anodyne CN1CCN(c2ccc(N3C[C@H](COC(N)=S)OC3=O)cc2F)C=N1 ZINC000096922451 FD Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)[n+]([O-])cn1Cc1ccccc1 ZINC000096922811 FD Annotated Reactive O=C1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O ZINC000096923252 FD Annotated Anodyne O=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)n2c1nc1ccccc1c2=O ZINC000096923253 FD Annotated Anodyne COC(=O)C1=C(C(=O)OC)N(c2ccccn2)CN(c2ccccn2)C1 ZINC000096927600 FD Annotated Anodyne CN(Cc1ccccn1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927692 FD Annotated Anodyne CN(Cc1ccccn1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000096927693 FD Annotated Anodyne COc1ccc([C@@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 ZINC000096929454 FD Annotated Bother COc1ccc([C@H]2OC(Cn3c([N+](=O)[O-])cnc3C)=NN2C(C)=O)cc1 ZINC000096929455 FD Annotated Bother O=C(CC(=O)NNC(=S)c1ccccc1)NNC(=S)c1ccccc1 ZINC000096929530 FD Annotated Reactive O=C1NC(=S)N=C(O)/C1=C/NNC(=S)Nc1ccc(Cl)cc1 ZINC000096930161 FD Annotated Clean Cc1cccc(Cl)c1NC(=S)NN/C=C1/C(=O)NC(=O)N=C1O ZINC000096930162 FD Annotated Clean O=C1N=C(O)/C(=C\NNC(=S)Nc2cccc(C(F)(F)F)c2)C(=O)N1 ZINC000096930164 FD Annotated Clean O=C(CN1C(=O)c2ccccc2C1=O)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000096930170 FD Annotated Reactive CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3ccccc3n3nnnc23)S1 ZINC000096931746 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3ccccc3n3nnnc23)S1 ZINC000096931748 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cc(C)ccc3n3nnnc23)S1 ZINC000096931750 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cc(C)ccc3n3nnnc23)S1 ZINC000096931752 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3cccc(C)c3n3nnnc23)S1 ZINC000096931756 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3cccc(C)c3n3nnnc23)S1 ZINC000096931758 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@H](c2cc3ccc(C)cc3n3nnnc23)S1 ZINC000096931778 FD Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@H](c2cc3ccc(C)cc3n3nnnc23)S1 ZINC000096931780 FD Annotated Anodyne COc1cc(OC)c2c(c1)C(=O)c1cc(CNCCN)cc(OC)c1C2=O ZINC000096932564 FD Annotated Clean COc1cc(-c2nc(S)n3c(=O)[nH]nc3c2C#N)cc(OC)c1OC ZINC000096932750 FD Annotated Mild C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@]1(O)CC[C@@]13COC(=O)[C@H]1CC=C[C@]32O ZINC000096933106 FD Annotated Anodyne OC[C@@H](O)[C@@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 ZINC000096934114 FD Annotated Anodyne NNC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3ccccc3)nc21 ZINC000096934512 FD Annotated Reactive COC(=O)c1cn([C@@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934608 FD Annotated Mild COC(=O)c1cn([C@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934609 FD Annotated Mild CCOC(=O)c1cn([C@@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934610 FD Annotated Mild CCOC(=O)c1cn([C@H]2COC3=C(Cl)C(=O)C(=O)c4cccc2c43)nn1 ZINC000096934611 FD Annotated Mild O=c1nc(/N=N/c2ccc(O)cc2)ccn1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F ZINC000096934619 FD Annotated Clean COc1ccc(-c2cc3cn([C@H]4C[C@@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000096935171 FD Annotated Anodyne COc1ccc(-c2cc3cn([C@H]4C[C@H](CO)N(C)O4)c(=O)nc3o2)cc1 ZINC000096935172 FD Annotated Anodyne Cn1cnc(S(=O)(=O)N2N=C3CCCC[C@@H]3[C@@]2(O)C(F)(F)F)c1 ZINC000096937943 FD Annotated Anodyne Cc1c(Sc2cccc(C(F)(F)F)c2)n(OCCO)c(=O)[nH]c1=O ZINC000098082174 FD Annotated Anodyne Cc1c(Sc2cc(Cl)cc(Cl)c2)n(OCCO)c(=O)[nH]c1=O ZINC000098082386 FD Annotated Anodyne COc1ccc2nc3c(cc2c1)C=NN=C(NCCN1CCOCC1)S3 ZINC000098083619 FD Annotated Anodyne Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCCO)c1 ZINC000098084082 FD Annotated Anodyne Cc1c(Sc2cccc(C(C)(C)C)c2)n(OCCO)c(=O)[nH]c1=O ZINC000098085780 FD Annotated Anodyne O=C(O)c1ccc(CCNS(=O)(=O)c2ccsc2C(=O)O)cc1 ZINC000098207993 FD Annotated Anodyne CC1=C(O)/C(=C\N=N\C(=O)c2ccncc2)C(COP(=O)(O)O)=CN1 ZINC000098208125 FD Annotated Clean CO[C@@H](C)Cn1cc(-c2c(C)nc3c(N4CCOCC4)nccn23)cn1 ZINC000098209116 FD Annotated Anodyne N[C@@H](Cc1cncn1CC(=O)c1ccc(Br)cc1)C(=O)O ZINC000098209265 FD Annotated Anodyne O=C(O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1 ZINC000098209561 FD Annotated Anodyne COc1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)c(OC)cc2c1 ZINC000098209562 FD Annotated Anodyne COC(=O)c1ccc2cc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)ccc2c1 ZINC000098209564 FD Annotated Anodyne COCOc1ccc2ccc(CCc3c(C(=O)O)[nH]c(=O)[nH]c3=O)cc2c1 ZINC000098209569 FD Annotated Anodyne COCOc1cc2ccccc2cc1CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O ZINC000098209574 FD Annotated Anodyne