Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1 ZINC000000587613 18/01/65/564180165 JBDGDEWWOUBZPM-UHFFFAOYSA-N 1 378.108 GG 3.187 0 Anodyne ref GGAARO Nc1c(Br)cc(Br)cc1C[NH2+]C1CCC(O)CC1 world COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000653140 16/99/32/212169932 UWRCMNVOYWDVNV-UHFFFAOYSA-N 0 383.853 GG 3.025 0 Anodyne ref GGAARN COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000000821314 32/44/26/206324426 RVZXGIIYYOMPDB-UHFFFAOYSA-N 0 398.278 GG 3.126 0 Anodyne ref GGAARN COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)cc1 COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000000824099 18/52/33/212185233 MAKKYPNROOTMDZ-UHFFFAOYSA-N 0 398.278 GG 3.126 0 Anodyne ref GGAARN COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1 COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000000829789 18/08/59/564180859 WBQSAGDDTZMGKA-UHFFFAOYSA-N 0 383.853 GG 3.025 0 Anodyne ref GGAARN COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)cc1 CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001144182 30/65/94/209306594 FLSZSNCLKUWMOG-UHFFFAOYSA-N 0 383.853 GG 3.107 0 Anodyne ref GGAARN CCOc1ccccc1N(CC(=O)OC)S(=O)(=O)c1ccc(Cl)cc1 CCOC(=O)c1[nH]c2ccc(OC)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001298157 37/18/77/206371877 AGZWJQDJMAWCAW-UHFFFAOYSA-N 0 392.411 GG 3.192 0 Anodyne ref GGAARN CCOC(=O)c1[nH]c2ccc(OC)cc2c1CCN1C(=O)c2ccccc2C1=O CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000002818049 30/47/36/570304736 PGJVHPHCIWSPOX-LHBDJYESSA-N -1 389.451 GG 3.378 0 Anodyne ref GGAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O ZINC000004262137 03/62/75/204036275 BDHUTRNYBGWPBL-HNNXBMFYSA-N -1 380.441 GG 3.061 0 Anodyne ref GGAARM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] in-vitro biogenic COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563261 38/47/79/570384779 HFVAADLZVRXGFP-QZTJIDSGSA-N -1 387.457 GG 3.421 0 Anodyne ref GGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O COc1cc2c(cc1OC)[C@@H](C(=O)O)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563263 38/46/62/570384662 HFVAADLZVRXGFP-MSOLQXFVSA-N -1 387.457 GG 3.421 0 Anodyne ref GGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1ccc(SC)cc1)N(C)C2=O COc1cc2c(cc1OC)[C@H](C(=O)O)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563265 38/47/88/570384788 HFVAADLZVRXGFP-ZWKOTPCHSA-N -1 387.457 GG 3.421 0 Anodyne ref GGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O COc1cc2c(cc1OC)[C@H](C(=O)O)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563266 05/32/26/204053226 HFVAADLZVRXGFP-ROUUACIJSA-N -1 387.457 GG 3.421 0 Anodyne ref GGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1ccc(SC)cc1)N(C)C2=O Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1 ZINC000004690054 06/41/14/204064114 NYCOPKHTLRGQAA-UHFFFAOYSA-N -1 384.251 GG 3.037 0 Anodyne ref GGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Br)cc2)cc1 CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000004725277 51/64/93/209516493 PGJVHPHCIWSPOX-QVDLRHOJSA-N -1 389.451 GG 3.378 0 Anodyne ref GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O CC(C)C[C@@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000004725278 39/81/41/570398141 PGJVHPHCIWSPOX-WMCAYINRSA-N -1 389.451 GG 3.378 0 Anodyne ref GGAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O CC(C)C[C@H](C(=O)O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000004725279 39/82/46/570398246 PGJVHPHCIWSPOX-ODMWJAAVSA-N -1 389.451 GG 3.378 0 Anodyne ref GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1 ZINC000005103050 59/30/33/206593033 RWAQSBSEERHMSH-UHFFFAOYSA-N -1 384.251 GG 3.037 0 Anodyne ref GGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Br)c2)cc1 Sc1nnc(Cc2nnc(S)n2Cc2ccccc2)n1Cc1ccccc1 ZINC000005647309 44/98/10/570449810 PKDMQHNYBQEXKL-UHFFFAOYSA-N 0 394.529 GG 3.134 0 Anodyne ref GGAARN S=C1N=NC(CC2N=NC(=S)N2Cc2ccccc2)N1Cc1ccccc1 Cc1ccc(Nc2nc(N)nc(Cn3c(=O)oc4ccc(Cl)cc43)n2)cc1 ZINC000006672913 66/87/49/209668749 YAEOEATYMNITQA-UHFFFAOYSA-N 0 382.811 GG 3.115 0 Anodyne ref GGAARN Cc1ccc(Nc2nc(N)nc(Cn3c(=O)oc4ccc(Cl)cc43)n2)cc1 COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000006923451 97/90/42/220979042 RLWHKSZEQKQEMZ-UHFFFAOYSA-N 0 387.379 GG 3.382 0 Anodyne ref GGAARN COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)cc1 O=C(O)Cc1csc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)n1 ZINC000013944144 09/78/04/210097804 QGAMSYPFNVLXQB-UHFFFAOYSA-N -1 381.413 GG 3.275 0 Anodyne ref GGAARM O=C([O-])Cc1csc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)n1 CC(C)C[C@H](C(=O)O)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000015837769 34/63/85/221346385 PGJVHPHCIWSPOX-NMBAIYOOSA-N -1 389.451 GG 3.378 0 Anodyne ref GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000028929350 46/67/92/570466792 LYSPVWSXVZFPRK-UHFFFAOYSA-N 0 378.86 GG 3.443 0 Anodyne ref GGAARN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 51/59/69/570515969 ATZUJYKWWUTSCD-UHFFFAOYSA-N 1 376.432 GG 3.319 2 Anodyne low GGAALO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 51/59/64/570515964 ATZUJYKWWUTSCD-UHFFFAOYSA-N 1 376.432 GG 3.319 2 Anodyne low GGAALO CC(C)(C)OC(=O)N1CCC[N@H+](Cc2nc(-c3cccc(F)c3)no2)CC1 CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 ZINC000032918406 51/59/63/570515963 ATZUJYKWWUTSCD-UHFFFAOYSA-N 0 376.432 GG 3.319 0 Anodyne ref GGAARN CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 O=C(O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000034927216 54/80/86/570548086 GSICVCMBBDYFPC-UHFFFAOYSA-N -2 391.355 GG 3.346 3 Anodyne high GGAAHL O=C([O-])c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 O=C(O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000034927216 54/80/81/570548081 GSICVCMBBDYFPC-UHFFFAOYSA-N -1 391.355 GG 3.346 0 Anodyne ref GGAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)O)cc3)n2)c1 ZINC000034927234 54/81/73/570548173 NNWXGBOPCZTLTI-UHFFFAOYSA-N -1 380.404 GG 3.45 0 Anodyne ref GGAARM Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)[O-])cc3)n2)c1 COC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(C)c3)s2)cc1 ZINC000034927252 54/82/40/570548240 CWYNPIFZELZTNO-UHFFFAOYSA-N 0 383.429 GG 3.464 0 Anodyne ref GGAARN COC(=O)c1ccc(OCc2nnc(C(=O)Nc3cccc(C)c3)s2)cc1 O=C(O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000034927253 54/80/68/570548068 PMCGHPATMOFOKW-UHFFFAOYSA-N -2 391.355 GG 3.346 3 Anodyne high GGAAHL O=C([O-])c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)cc1 O=C(O)c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000034927253 54/80/58/570548058 PMCGHPATMOFOKW-UHFFFAOYSA-N -1 391.355 GG 3.346 0 Anodyne ref GGAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 Cc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)O)cc2)n1 ZINC000034927262 54/82/73/570548273 GXOBAAYJDLZICZ-UHFFFAOYSA-N -1 380.404 GG 3.45 0 Anodyne ref GGAARM Cc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)O)cc2)n1 ZINC000034927263 48/25/45/207482545 HLHCEIFHTZNKMQ-UHFFFAOYSA-N -1 396.403 GG 3.15 0 Anodyne ref GGAARM COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)O)CC3)nc3ccccc32)cc1 ZINC000045795928 64/91/31/570649131 FKTNJFQSWWWNMX-UHFFFAOYSA-N -1 377.444 GG 3.054 0 Anodyne ref GGAARM Cc1ccc(Cn2c(=O)c(N3CCC(C(=O)[O-])CC3)nc3ccccc32)cc1 CC1CCN(c2ccc(C(=O)O)cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000045795958 64/90/28/570649028 NOCJNKJYPDFXEG-UHFFFAOYSA-N -1 380.51 GG 3.042 0 Anodyne ref GGAARM CC1CCN(c2ccc(C(=O)[O-])cc2S(=O)(=O)N2CCC(C)CC2)CC1 CCN1C(C(=O)/C=C/c2ccc(OC)cc2)=C(O)c2ccccc2S1(=O)=O ZINC000049478764 66/39/06/570663906 WQVSVAPJONKEOO-JLHYYAGUSA-N -1 385.441 GG 3.229 0 Mild ref GGEARM CCN1C(C(=O)C=Cc2ccc(OC)cc2)=C([O-])c2ccccc2S1(=O)=O COc1cc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc(OC)c1OC ZINC000074941621 35/81/96/205358196 AOOPNQDZJLATMS-RUDMXATFSA-N 0 393.395 GG 3.038 0 Mild ref GGEARN COc1cc(/C=C/C(=O)c2ccc(N3C(=O)C=CC3=O)cc2)cc(OC)c1OC CC(C)(C)OC(=O)N1CCC2(CC1)NCCc1c2ncn1C(=O)OC(C)(C)C ZINC000096032098 37/33/66/222373366 XIEJEVKHXHQGOK-UHFFFAOYSA-N 1 392.5 GG 3.038 1 Anodyne mid GGAAMO CC(C)(C)OC(=O)N1CCC2(CC1)[NH2+]CCc1c2ncn1C(=O)OC(C)(C)C CC(C)(C)OC(=O)N1CCC2(CC1)NCCc1c2ncn1C(=O)OC(C)(C)C ZINC000096032098 37/33/61/222373361 XIEJEVKHXHQGOK-UHFFFAOYSA-N 0 392.5 GG 3.038 0 Anodyne ref GGAARN CC(C)(C)OC(=O)N1CCC2(CC1)NCCc1c2ncn1C(=O)OC(C)(C)C O=c1c2cc(I)ccc2nc(S)n1-c1ccccc1 ZINC000100166726 38/41/61/211384161 ANCYMQMGKDRCGL-UHFFFAOYSA-N 0 380.21 GG 3.279 0 Anodyne ref GGAARN O=c1c2cc(I)ccc2[nH]c(=S)n1-c1ccccc1 CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)O)O2 ZINC000226087793 70/45/66/222704566 BCPVEPDWXQDIFA-KRWDZBQOSA-N -1 375.446 GG 3.025 0 Anodyne ref GGAARM CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)[O-])O2 CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)O)O2 ZINC000226087801 08/97/14/206089714 BCPVEPDWXQDIFA-QGZVFWFLSA-N -1 375.446 GG 3.025 0 Anodyne ref GGAARM CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)[O-])O2