CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000028412 11/77/81/361117781 FTWSPUNZSJSYKO-UHFFFAOYSA-N 0 296.392 CE 2.256 0 Anodyne ref CEAARN CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 Cc1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000000028419 11/78/14/361117814 JCSFTUCAHUIFTJ-UHFFFAOYSA-N 0 284.315 CE 2.111 0 Anodyne ref CEAARN Cc1cccc(OCC(=O)Nc2ccc(C(N)=O)cc2)c1 CCCN(CCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000029135 11/75/92/361117592 RSKJZTBKLIORJO-UHFFFAOYSA-N 0 298.408 CE 2.456 0 Anodyne ref CEAARN CCCN(CCC)S(=O)(=O)c1ccc(NC(C)=O)cc1 NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 ZINC000000035547 51/20/55/169512055 VATFNEMGBRWLHI-UHFFFAOYSA-N 0 264.35 CE 2.074 0 Anodyne ref CEAARN NC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2 in-vivo Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C ZINC000000035602 11/89/67/361118967 ACRJYJHXXHYAJP-UHFFFAOYSA-N 0 264.306 CE 2.309 0 Anodyne ref CEAARN Cc1sc(NC(=O)c2ccco2)c(C(N)=O)c1C COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000000035780 11/85/67/361118567 LGQORZMQGBSBIF-UHFFFAOYSA-N 0 289.291 CE 2.278 0 Bother ref CEBARN COc1ccc(C=O)cc1Cn1nc(C)c([N+](=O)[O-])c1C CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000037615 12/04/14/361120414 XJLJGWHDJJTASZ-UHFFFAOYSA-N 0 296.392 CE 2.21 0 Anodyne ref CEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 COC(=O)c1c(NC(C)=O)sc2c1CCCC2 ZINC000000037726 51/42/24/284514224 IAFHDBSDVMOFOL-UHFFFAOYSA-N 0 253.323 CE 2.372 0 Anodyne ref CEAARN COC(=O)c1c(NC(C)=O)sc2c1CCCC2 Cc1cc(C)n(C(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000000038426 11/97/55/361119755 HMENEHMKHRRLDH-UHFFFAOYSA-N 0 275.264 CE 2.127 0 Bother ref CEBARN Cc1cc(C)n(C(=O)COc2ccc([N+](=O)[O-])cc2)n1 COc1ccccc1OCC(=O)n1nc(C)cc1C ZINC000000038547 12/00/48/361120048 VPTOAOMPJPXYGI-UHFFFAOYSA-N 0 260.293 CE 2.228 0 Anodyne ref CEAARN COc1ccccc1OCC(=O)n1nc(C)cc1C N#Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000038594 12/05/47/361120547 WOMJYVCFLKPXKX-STQMWFEESA-N -1 272.304 CE 2.388 0 Mild ref CEEARM N#Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 ZINC000000038595 19/54/75/303195475 WOMJYVCFLKPXKX-OLZOCXBDSA-N -1 272.304 CE 2.388 0 Mild ref CEEARM N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 COC(=O)CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000038653 51/33/94/169513394 QXVGJKZWIHSNNV-UHFFFAOYSA-N 0 286.671 CE 2.14 0 Bother ref CEBARN COC(=O)CCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 CC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1 ZINC000000038747 11/97/76/361119776 YJDXRWAWYMJVPH-UHFFFAOYSA-N 0 257.293 CE 2.147 0 Anodyne ref CEAARN CC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1 NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 ZINC000000038786 11/99/61/361119961 ZZWKMAHRLQBKNY-UHFFFAOYSA-N 0 268.316 CE 2.357 0 Anodyne ref CEAARN NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 ZINC000000038793 61/05/19/263610519 ITMMGFORVCVOBN-CQSZACIVSA-N 0 272.279 CE 2.496 0 Reactive ref CEGARN CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1 CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000038890 11/97/96/361119796 SSZATXBQCRKJQW-UHFFFAOYSA-N 0 266.366 CE 2.464 0 Anodyne ref CEAARN CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 N#CC(C#N)=NNc1ccc(I)cc1 ZINC000000046401 04/19/70/283041970 KTGLAUQDVTYHBP-UHFFFAOYSA-N 0 296.071 CE 2.106 0 Mild ref CEEARN N#CC(C#N)=NNc1ccc(I)cc1 COc1ccc2ccccc2c1/C=N/N=C(/N)S ZINC000000046442 12/13/31/361121331 DXTYDDVJOBCCHE-OVCLIPMQSA-N 0 259.334 CE 2.427 0 Mild ref CEEARN COc1ccc2ccccc2c1CN=NC(N)=S in-vivo CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 ZINC000000048723 61/02/22/263610222 NYBMJRNRDGDXAX-LBPRGKRZSA-N 0 290.344 CE 2.393 0 Reactive ref CEGARN CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccs1 CC(=O)N(C)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000000062629 44/79/41/394447941 XYQLFPYNYPWHTQ-UHFFFAOYSA-N 0 260.215 CE 2.17 0 Anodyne ref CEAARN CC(=O)N(C)c1ccc(NC(=O)C(F)(F)F)cc1 CCc1ccc(OCC(=O)O)c(Br)c1 ZINC000000064967 44/77/74/394447774 AWXJDESUOGJGQO-UHFFFAOYSA-N -1 259.099 CE 2.475 0 Anodyne ref CEAARM CCc1ccc(OCC(=O)[O-])c(Br)c1 NC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])o1 ZINC000000065708 44/78/87/394447887 YXVVCZWBJZIIGU-VGOFMYFVSA-N 0 259.221 CE 2.037 0 Mild ref CEEARN NC(=O)c1ccccc1/N=C/c1ccc([N+](=O)[O-])o1 O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000000067942 44/81/22/394448122 MLPVALKIJBKOGG-UHFFFAOYSA-N 0 278.289 CE 2.396 2 Bother low CEBALN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1 O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000000067942 44/81/21/394448121 MLPVALKIJBKOGG-UHFFFAOYSA-N -1 278.289 CE 2.396 0 Bother ref CEBARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1 CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 ZINC000000075853 61/16/52/263611652 HFJIHLGXKJKPBA-GFCCVEGCSA-N 0 260.318 CE 2.419 0 Reactive ref CEGARN CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccs1 COc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1 ZINC000000075889 23/71/78/286237178 ZKDKGRZDSREORA-UHFFFAOYSA-N 0 293.71 CE 2.399 0 Anodyne ref CEAARN COc1cc(NC(=O)c2ccc(Cl)cc2)nc(OC)n1 Cc1cc(C)n(/N=C/c2ccc(F)cc2)c(=O)c1C#N ZINC000000075927 67/77/97/278677797 KPDUPHCUVYGVPV-GIJQJNRQSA-N 0 269.279 CE 2.358 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2ccc(F)cc2)c(=O)c1C#N O=C(/C=C/c1cccs1)NC(=S)N1CCCC1 ZINC000000079176 12/54/55/361125455 ZLLQJGVVAIGYGG-AATRIKPKSA-N 0 266.391 CE 2.258 0 Anodyne ref CEAARN O=C(C=Cc1cccs1)NC(=S)N1CCCC1 COc1ccccc1NCC(=O)n1nc(C)cc1C ZINC000000086967 12/60/33/361126033 SRGQSOWTUYVSSJ-UHFFFAOYSA-N 0 259.309 CE 2.261 0 Anodyne ref CEAARN COc1ccccc1NCC(=O)n1nc(C)cc1C Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1 ZINC000000086975 53/16/02/169531602 HIWOOZPTDUQGQM-OQLLNIDSSA-N 0 271.276 CE 2.256 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1 COc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1 ZINC000000086979 12/65/33/361126533 BCOJDBYFYBZOBP-MHWRWJLKSA-N 0 256.305 CE 2.356 0 Mild ref CEEARN COc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1 O=C(O)/C=C/C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000000095323 12/80/51/361128051 NOXAGFBCQHLMOT-ZHACJKMWSA-N -1 295.294 CE 2.497 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 COc1cc(OC)c(/C=N/O)cc1Br ZINC000000095854 12/77/44/361127744 YBMJHRFUPLUACU-VZUCSPMQSA-N -1 260.087 CE 2.274 1 Mild mid CEEAMM COc1cc(OC)c(/C=N/[O-])cc1Br COc1cc(OC)c(/C=N/O)cc1Br ZINC000000095854 12/77/20/361127720 YBMJHRFUPLUACU-VZUCSPMQSA-N 0 260.087 CE 2.274 0 Mild ref CEEARN COc1cc(OC)c(/C=N/O)cc1Br O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1 ZINC000000102600 12/87/90/361128790 FCYOCKBPAZXLKH-UHFFFAOYSA-N -1 292.316 CE 2.073 3 Bother high CEBAHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cc1ccccc1 O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1 ZINC000000102600 12/87/81/361128781 FCYOCKBPAZXLKH-UHFFFAOYSA-N 0 292.316 CE 2.073 0 Bother ref CEBARN O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1 Cc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)o1 ZINC000000106372 12/87/73/361128773 XWXNPQIHHVMAHM-CMDGGOBGSA-N 0 270.288 CE 2.339 0 Anodyne ref CEAARN Cc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)o1 COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 ZINC000000116390 13/08/42/361130842 TWKXMCUOHVTFTF-VCHYOVAHSA-N 0 281.315 CE 2.228 0 Mild ref CEEARN COc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)cc1 Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N ZINC000000116395 44/81/03/394448103 YTODHHLHESCNOI-LICLKQGHSA-N 0 251.289 CE 2.219 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1C#N ZINC000000116400 13/02/12/361130212 CWPINGFNYCSEGO-RQZCQDPDSA-N 0 296.286 CE 2.127 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1C#N Cc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C#N ZINC000000116408 13/08/65/361130865 FGUBHURGADNLFW-YBFXNURJSA-N 0 294.358 CE 2.285 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C#N Cc1cc(C)n(/N=C/c2ccccc2[N+](=O)[O-])c(=O)c1C#N ZINC000000116560 13/05/00/361130500 YCLSDFHMYZXHLK-RQZCQDPDSA-N 0 296.286 CE 2.127 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2ccccc2[N+](=O)[O-])c(=O)c1C#N Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)o1 ZINC000000116606 04/18/69/292041869 DWMORQHOIFCQIE-LZYBPNLTSA-N 0 255.277 CE 2.12 0 Mild ref CEEARN Cc1ccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)o1 COc1ccccc1/C=N/n1c(C)cc(C)c(C#N)c1=O ZINC000000116611 13/17/51/361131751 YJXKSJWDDFJERR-VCHYOVAHSA-N 0 281.315 CE 2.228 0 Mild ref CEEARN COc1ccccc1/C=N/n1c(C)cc(C)c(C#N)c1=O Cc1cc(C)n(/N=C/c2cccs2)c(=O)c1C#N ZINC000000116634 85/87/69/291858769 AOQNMWIYQMEJHC-OVCLIPMQSA-N 0 257.318 CE 2.281 0 Mild ref CEEARN Cc1cc(C)n(/N=C/c2cccs2)c(=O)c1C#N COc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1 ZINC000000116641 13/14/39/361131439 YAKNSQDVXSMFPB-VCHYOVAHSA-N 0 281.315 CE 2.228 0 Mild ref CEEARN COc1cccc(/C=N/n2c(C)cc(C)c(C#N)c2=O)c1 Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1 ZINC000000116675 13/13/87/361131387 YHGQVBSXFPOXPE-UHFFFAOYSA-N 0 285.347 CE 2.237 0 Anodyne ref CEAARN Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1 O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000121153 03/73/78/275037378 BJKNXDSKYOQVTJ-UHFFFAOYSA-N 0 278.289 CE 2.396 1 Bother mid CEBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1 O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000000121153 03/73/77/275037377 BJKNXDSKYOQVTJ-UHFFFAOYSA-N -1 278.289 CE 2.396 0 Bother ref CEBARM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 ZINC000000122548 13/14/02/361131402 BIWPQNWGSVWCPP-UHFFFAOYSA-N 0 268.382 CE 2.222 0 Anodyne ref CEAARN CN(C1CCCCC1)S(=O)(=O)c1ccc(N)cc1 COc1ccc(OCC(=O)Nc2nccs2)cc1 ZINC000000123430 13/13/83/361131383 CEOFYVGCBDRXCN-UHFFFAOYSA-N 0 264.306 CE 2.169 0 Anodyne ref CEAARN COc1ccc(OCC(=O)Nc2nccs2)cc1 Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 ZINC000000125150 13/24/29/361132429 WGPVGSUNQKQRDZ-UHFFFAOYSA-N 0 254.289 CE 2.346 0 Anodyne ref CEAARN Cc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1 NC(=O)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000000125269 13/26/31/361132631 OHVPGJPXVCGBAZ-CXUHLZMHSA-N 0 269.26 CE 2.444 0 Mild ref CEEARN NC(=O)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1 COc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000125346 01/56/75/278015675 UTDBCWSLBSPUPK-UHFFFAOYSA-N 0 253.257 CE 2.496 0 Anodyne ref CEAARN COc1cccc(N2C(=O)c3ccccc3C2=O)c1 COc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000134038 13/39/19/361133919 UZUQLWPXATZCDY-UHFFFAOYSA-N -1 263.318 CE 2.496 3 Anodyne high CEAAHM COc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 COc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000134038 13/39/12/361133912 UZUQLWPXATZCDY-UHFFFAOYSA-N 0 263.318 CE 2.496 0 Anodyne ref CEAARN COc1ccc(NS(=O)(=O)c2ccccc2)cc1 COC(=O)CCC(=O)Nc1ccc(Br)cc1 ZINC000000136712 13/33/67/361133367 MZSDYTQFKFEMTI-UHFFFAOYSA-N 0 286.125 CE 2.341 0 Anodyne ref CEAARN COC(=O)CCC(=O)Nc1ccc(Br)cc1 COc1cc(C(=O)NC(C)(C)C)cc(OC)c1OC ZINC000000142096 13/45/78/361134578 CGJQQPZTUVRPQX-UHFFFAOYSA-N 0 267.325 CE 2.241 0 Anodyne ref CEAARN COc1cc(C(=O)NC(C)(C)C)cc(OC)c1OC O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1 ZINC000000142106 13/49/99/361134999 HQVHKTBIKQZOGM-UHFFFAOYSA-N 0 272.348 CE 2.159 0 Anodyne ref CEAARN O=C(c1ccc(C(=O)N2CCCC2)cc1)N1CCCC1 COc1ccccc1OCC(=O)NCc1ccccc1 ZINC000000142224 55/22/06/169552206 ZQNVHWQWXHUSCW-UHFFFAOYSA-N 0 271.316 CE 2.39 0 Anodyne ref CEAARN COc1ccccc1OCC(=O)NCc1ccccc1 Cc1ccc(C(=O)N2CCOCC2)cc1Br ZINC000000142719 55/22/29/169552229 CVRFIMIZEYRZEW-UHFFFAOYSA-N 0 284.153 CE 2.23 0 Anodyne ref CEAARN Cc1ccc(C(=O)N2CCOCC2)cc1Br NC(=O)COc1ccc2ccccc2c1Br ZINC000000142739 13/51/03/361135103 BVRZQRNYUNRFSJ-UHFFFAOYSA-N 0 280.121 CE 2.466 0 Anodyne ref CEAARN NC(=O)COc1ccc2ccccc2c1Br O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 ZINC000000142882 13/49/13/361134913 NCAZRKFIGJVHLN-STQMWFEESA-N -1 261.321 CE 2.194 0 Anodyne ref CEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1ccccc1 O=C(O)[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1 ZINC000000142885 18/13/20/304181320 NCAZRKFIGJVHLN-OLZOCXBDSA-N -1 261.321 CE 2.194 0 Anodyne ref CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccccc1 Cc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 ZINC000000143026 55/24/77/169552477 OTULFMIRDUHCSD-UHFFFAOYSA-N 0 254.289 CE 2.346 0 Anodyne ref CEAARN Cc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 Cc1ccccc1C(=O)Nc1ccccc1C(N)=O ZINC000000143110 13/45/36/361134536 UGBODBOQSKPKFJ-UHFFFAOYSA-N 0 254.289 CE 2.346 0 Anodyne ref CEAARN Cc1ccccc1C(=O)Nc1ccccc1C(N)=O Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000143129 13/51/13/361135113 XKBHHJLZPOQOFS-UHFFFAOYSA-N 0 274.345 CE 2.02 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 Fc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 ZINC000000143189 13/46/92/361134692 XGWSFLSTINZHAY-LLVKDONJSA-N 0 254.33 CE 2.291 0 Anodyne ref CEAARN Fc1ccc(NC(=S)NC[C@H]2CCCO2)cc1 Fc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 ZINC000000143192 13/47/92/361134792 XGWSFLSTINZHAY-NSHDSACASA-N 0 254.33 CE 2.291 0 Anodyne ref CEAARN Fc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 CC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1 ZINC000000143385 36/91/91/527369191 GLQRCAIHYINMRS-UHFFFAOYSA-N -1 290.344 CE 2.272 3 Anodyne high CEAAHM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N)cc2)c1 CC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1 ZINC000000143385 36/91/81/527369181 GLQRCAIHYINMRS-UHFFFAOYSA-N 0 290.344 CE 2.272 0 Anodyne ref CEAARN CC(=O)c1cccc(NS(=O)(=O)c2ccc(N)cc2)c1 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000143547 13/49/45/361134945 PKCILPHWDZXVQT-UHFFFAOYSA-N -1 278.333 CE 2.078 3 Anodyne high CEAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000143547 13/49/41/361134941 PKCILPHWDZXVQT-UHFFFAOYSA-N 0 278.333 CE 2.078 0 Anodyne ref CEAARN COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 COC(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 ZINC000000146197 55/37/08/169553708 UTOVHBDJHQEIME-UHFFFAOYSA-N 0 294.376 CE 2.332 0 Anodyne ref CEAARN COC(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000000157086 55/74/91/169557491 KJGRSUULHMUPCR-UHFFFAOYSA-N 0 283.258 CE 2.305 0 Anodyne ref CEAARN O=C(CN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 COC(=O)c1ccccc1I ZINC000000159279 58/68/87/284586887 BXXLTVBTDZXPTN-UHFFFAOYSA-N 0 262.046 CE 2.078 0 Anodyne ref CEAARN COC(=O)c1ccccc1I Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000182607 14/14/30/361141430 QYVUQEQLEFFAOW-UHFFFAOYSA-N -1 266.297 CE 2.209 3 Anodyne high CEAAHM Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000000182607 14/14/24/361141424 QYVUQEQLEFFAOW-UHFFFAOYSA-N 0 266.297 CE 2.209 0 Anodyne ref CEAARN Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 ZINC000000183516 08/10/92/277081092 MAIFNHFWXNIVPE-UHFFFAOYSA-N 0 296.392 CE 2.066 0 Anodyne ref CEAARN CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 CCc1nnc(NC(=O)c2ccc(OC)cc2)s1 ZINC000000187506 14/26/78/361142678 RGGYCWLBDAMENO-UHFFFAOYSA-N 0 263.322 CE 2.361 0 Anodyne ref CEAARN CCc1nnc(NC(=O)c2ccc(OC)cc2)s1 COc1ccc(C(=O)n2nc(C)cc2C)cc1OC ZINC000000206780 57/47/99/169574799 HQUSXGZKUOWKDF-UHFFFAOYSA-N 0 260.293 CE 2.206 0 Anodyne ref CEAARN COc1ccc(C(=O)n2nc(C)cc2C)cc1OC in-vitro biogenic C=CCN(CC=C)S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000207850 14/65/24/361146524 ZDMQUQUDQZSKPC-UHFFFAOYSA-N 0 294.376 CE 2.008 0 Mild ref CEEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(C)=O)cc1 Cc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)o1 ZINC000000213303 14/64/34/361146434 ZKSPJXQMUHHKBI-CMDGGOBGSA-N 0 270.288 CE 2.339 0 Anodyne ref CEAARN Cc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)o1 COc1ccccc1C(=O)NC(=S)Nc1ccccn1 ZINC000000227528 14/87/92/361148792 NFKJNRYVFRMRKQ-UHFFFAOYSA-N 0 287.344 CE 2.217 0 Anodyne ref CEAARN COc1ccccc1C(=O)NC(=S)Nc1ccccn1 NC(=O)c1cccc(/N=C/c2ccc([N+](=O)[O-])cc2)c1 ZINC000000244791 15/18/59/361151859 MDLDCNRWKUCLBS-CXUHLZMHSA-N 0 269.26 CE 2.444 0 Mild ref CEEARN NC(=O)c1cccc(/N=C/c2ccc([N+](=O)[O-])cc2)c1 O=C(COc1ccc(Cl)cc1)NC[C@H]1CCCO1 ZINC000000267198 15/38/25/361153825 NXYDXDWIEHMNOX-GFCCVEGCSA-N 0 269.728 CE 2.014 0 Anodyne ref CEAARN O=C(COc1ccc(Cl)cc1)NC[C@H]1CCCO1 O=C(COc1ccc(Cl)cc1)NC[C@@H]1CCCO1 ZINC000000267199 15/39/06/361153906 NXYDXDWIEHMNOX-LBPRGKRZSA-N 0 269.728 CE 2.014 0 Anodyne ref CEAARN O=C(COc1ccc(Cl)cc1)NC[C@@H]1CCCO1 O=C(O)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000000269417 59/29/87/169592987 WCERMHZIGNICHV-UHFFFAOYSA-N -1 267.712 CE 2.277 0 Anodyne ref CEAARM O=C([O-])C1CCN(C(=O)c2ccccc2Cl)CC1 O=C(O)/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000000273804 59/43/50/169594350 ZMFPWTJSJOHKEQ-ZHACJKMWSA-N -1 295.294 CE 2.497 0 Anodyne ref CEAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)c1ccccc1 CCc1nnc(NC(=O)c2ccccc2C(=O)O)s1 ZINC000000275729 15/52/55/361155255 JAUDODXCFFPEHE-UHFFFAOYSA-N -1 277.305 CE 2.051 0 Anodyne ref CEAARM CCc1nnc(NC(=O)c2ccccc2C(=O)[O-])s1 NC(=S)N/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000000282906 59/64/78/169596478 XVIITPGJQGFFIP-LICLKQGHSA-N 0 285.372 CE 2.433 0 Mild ref CEEARN NC(=S)N/N=C/c1ccc(OCc2ccccc2)cc1 CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286760 15/67/37/361156737 KLQGVVDBXSZWDN-UHFFFAOYSA-N -1 290.344 CE 2.272 3 Anodyne high CEAAHM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286760 15/67/36/361156736 KLQGVVDBXSZWDN-UHFFFAOYSA-N 0 290.344 CE 2.272 0 Anodyne ref CEAARN CC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286774 15/67/54/361156754 SBPXTHAKRLEODG-UHFFFAOYSA-N -1 292.36 CE 2.468 3 Anodyne high CEAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1 CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000000286774 15/67/53/361156753 SBPXTHAKRLEODG-UHFFFAOYSA-N 0 292.36 CE 2.468 0 Anodyne ref CEAARN CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 ZINC000000293121 10/71/17/304107117 KYLPETYBULKPEF-NWDGAFQWSA-N -1 253.342 CE 2.28 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCCCC1 O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000000293123 10/75/90/304107590 KYLPETYBULKPEF-VXGBXAGGSA-N -1 253.342 CE 2.28 0 Anodyne ref CEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCCCC1 O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCCCCC1 ZINC000000293126 18/13/11/304181311 KYLPETYBULKPEF-NEPJUHHUSA-N -1 253.342 CE 2.28 0 Anodyne ref CEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCCCCC1 COc1cc(/C=N/c2ccccc2C(N)=O)ccc1O ZINC000000297100 60/04/21/169600421 KAJNGEWUDFIMHG-RQZCQDPDSA-N 0 270.288 CE 2.25 0 Mild ref CEEARN COc1cc(/C=N/c2ccccc2C(N)=O)ccc1O