smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(-c2nnc([N-]c3ccc(Cl)cc3)o2)c1 ZINC000004726123 181143332 /nfs/dbraw/zinc/14/33/32/181143332.db2.gz UPDDSAWRPIIVDH-UHFFFAOYSA-N -1 3 301.733 4.142 50 0 DIAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c([O-])c1C ZINC000004756234 181148980 /nfs/dbraw/zinc/14/89/80/181148980.db2.gz RUSXSMSMGNXTQM-UHFFFAOYSA-N -1 3 308.381 4.465 50 0 DIAAHM CSc1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1 ZINC000004813552 181155504 /nfs/dbraw/zinc/15/55/04/181155504.db2.gz FXXRWRXJHMOCBU-DHZHZOJOSA-N -1 3 310.378 4.335 50 0 DIAAHM CCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000004988447 181185815 /nfs/dbraw/zinc/18/58/15/181185815.db2.gz QKCGYGPAVUQHSN-UHFFFAOYSA-N -1 3 312.394 4.326 50 0 DIAAHM COc1cc2c(cc1[N-]C(=O)c1cc(C)no1)oc1ccccc12 ZINC000006789179 181388896 /nfs/dbraw/zinc/38/88/96/181388896.db2.gz UEYCZGIEBNVLRN-UHFFFAOYSA-N -1 3 322.320 4.143 50 0 DIAAHM Cc1ccc(-c2cc3nccc(-c4cc(F)ccc4[O-])n3n2)cc1 ZINC000021729257 182286889 /nfs/dbraw/zinc/28/68/89/182286889.db2.gz JLUNMWGWPBCXDC-UHFFFAOYSA-N -1 3 319.339 4.216 50 0 DIAAHM CC[C@@H]1CCc2sc(C(=O)Nc3ccccc3[O-])cc2C1 ZINC000024990916 182397663 /nfs/dbraw/zinc/39/76/63/182397663.db2.gz LWTABZUISJOLIT-LLVKDONJSA-N -1 3 301.411 4.221 50 0 DIAAHM COc1ccc(/C=C(\C)c2noc(-c3ccccc3[O-])n2)cc1 ZINC000040309530 183053510 /nfs/dbraw/zinc/05/35/10/183053510.db2.gz RMAYWRVTTBOATE-VAWYXSNFSA-N -1 3 308.337 4.011 50 0 biogenic DIAAHM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)S1 ZINC000001001756 331465231 /nfs/dbraw/zinc/46/52/31/331465231.db2.gz GPQDMFPUIYMMHB-WUXMJOGZSA-N -1 3 323.732 4.063 50 0 DIAAHM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000408052 563252090 /nfs/dbraw/zinc/25/20/90/563252090.db2.gz LKCLHASSJWYJAX-UHFFFAOYSA-N -1 3 316.209 4.103 50 0 DIAAHM CSc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000467886 563259957 /nfs/dbraw/zinc/25/99/57/563259957.db2.gz XMQWNMJNXSKMBY-UHFFFAOYSA-N -1 3 321.467 4.135 50 0 DIAAHM CCc1cc(C(=O)COc2ccc3ccccc3c2)c(O)cc1[O-] ZINC000002390753 563303714 /nfs/dbraw/zinc/30/37/14/563303714.db2.gz UWQBQHVPDQUHLW-UHFFFAOYSA-N -1 3 322.360 4.075 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c(C)c1 ZINC000002885102 563316942 /nfs/dbraw/zinc/31/69/42/563316942.db2.gz HZYSAADYDXNGPP-UHFFFAOYSA-N -1 3 317.454 4.338 50 0 DIAAHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(F)cc3F)no2)cc1 ZINC000002797598 563342527 /nfs/dbraw/zinc/34/25/27/563342527.db2.gz RDFURRJSVAFJKK-UHFFFAOYSA-N -1 3 314.291 4.181 50 0 DIAAHM COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)c([O-])c1 ZINC000013121721 563378316 /nfs/dbraw/zinc/37/83/16/563378316.db2.gz IJWVXRMJAYKQCY-UHFFFAOYSA-N -1 3 300.745 4.111 50 0 DIAAHM O=C(c1cccc([O-])c1)N1CCCC[C@@H]1CCc1cccs1 ZINC000077387759 563509819 /nfs/dbraw/zinc/50/98/19/563509819.db2.gz JFQVDFTWYNOXAO-OAHLLOKOSA-N -1 3 315.438 4.081 50 0 DIAAHM Cc1cccc([N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1 ZINC000014255268 563565512 /nfs/dbraw/zinc/56/55/12/563565512.db2.gz BAHXZGCSBPVYJW-UHFFFAOYSA-N -1 3 317.454 4.338 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1 ZINC000000137605 563572675 /nfs/dbraw/zinc/57/26/75/563572675.db2.gz VXOJBDZXJQFGSL-UHFFFAOYSA-N -1 3 303.427 4.093 50 0 DIAAHM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc2ccccc2o1 ZINC000000246324 563581903 /nfs/dbraw/zinc/58/19/03/563581903.db2.gz INAATCSNDXYXOU-UHFFFAOYSA-N -1 3 321.361 4.204 50 0 DIAAHM Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3[O-])[nH]c1=S)O2 ZINC000585148596 563637620 /nfs/dbraw/zinc/63/76/20/563637620.db2.gz SFYWLWVYYQTFRT-UHFFFAOYSA-N -1 3 322.389 4.143 50 0 DIAAHM [O-]c1ccc(COc2cccc3cccnc32)c2cccnc12 ZINC000006934438 563899598 /nfs/dbraw/zinc/89/95/98/563899598.db2.gz LKNNKCREXKLVDD-UHFFFAOYSA-N -1 3 302.333 4.068 50 0 DIAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1C ZINC000007381943 563905690 /nfs/dbraw/zinc/90/56/90/563905690.db2.gz WTKGJUQLLNMRPT-UHFFFAOYSA-N -1 3 321.417 4.169 50 0 DIAAHM CCCC[C@@H](CC)c1nnc([N-]C(=O)c2c(C)noc2C)s1 ZINC000013330734 563909652 /nfs/dbraw/zinc/90/96/52/563909652.db2.gz VLXDYOJQAVEHKZ-LLVKDONJSA-N -1 3 322.434 4.079 50 0 DIAAHM COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c([O-])c1 ZINC000013126250 563929316 /nfs/dbraw/zinc/92/93/16/563929316.db2.gz GOFMZYXSJNCELR-UHFFFAOYSA-N -1 3 314.772 4.420 50 0 DIAAHM O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccccc1[O-] ZINC000010212989 563958337 /nfs/dbraw/zinc/95/83/37/563958337.db2.gz KTLBITWKWZGZRW-UHFFFAOYSA-N -1 3 319.360 4.147 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000354403 568415699 /nfs/dbraw/zinc/41/56/99/568415699.db2.gz BSRWGIGDRFNTCQ-UHFFFAOYSA-N -1 3 303.427 4.093 50 0 DIAAHM O=C(CCCC(=O)c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000006946796 1048531532 /nfs/dbraw/zinc/53/15/32/1048531532.db2.gz HBJNQLSPZRQLCN-UHFFFAOYSA-N -1 3 317.772 4.037 50 0 DIAAHM CCSc1ccccc1[N-]C(=O)c1snnc1C(C)C ZINC000952873939 1051122177 /nfs/dbraw/zinc/12/21/77/1051122177.db2.gz RZHFVGKGPDKEEQ-UHFFFAOYSA-N -1 3 307.444 4.026 50 0 DIAAHM CC[Si](CC)(CC)CC[P@@](=O)([O-])CN1CCCCC1 ZINC000195838006 1053049001 /nfs/dbraw/zinc/04/90/01/1053049001.db2.gz FJAFNKAGXWEKTI-UHFFFAOYSA-N -1 3 305.475 4.209 50 0 DIAAHM CC[Si](CC)(CC)CC[P@](=O)([O-])CN1CCCCC1 ZINC000195838006 1053049006 /nfs/dbraw/zinc/04/90/06/1053049006.db2.gz FJAFNKAGXWEKTI-UHFFFAOYSA-N -1 3 305.475 4.209 50 0 DIAAHM Cc1ccc([O-])c(CNc2ccccc2N(C)C2CCCC2)n1 ZINC000152522754 186081283 /nfs/dbraw/zinc/08/12/83/186081283.db2.gz CBFSXVNIAZWOPB-UHFFFAOYSA-N -1 3 311.429 4.087 50 0 DIAAHM CCc1cc(OC)cc([O-])c1-c1n[nH]cc1-c1ccc(OC)cc1 ZINC000003985083 181060299 /nfs/dbraw/zinc/06/02/99/181060299.db2.gz FBYHCTXYLTUNGY-UHFFFAOYSA-N -1 3 324.380 4.029 50 0 biogenic DIAAHM Cc1cc(NC(=O)C(C)(C)C)cc(-c2nc3ccccc3o2)c1[O-] ZINC000004988502 181185933 /nfs/dbraw/zinc/18/59/33/181185933.db2.gz MDTCMNPJZLTOCT-UHFFFAOYSA-N -1 3 324.380 4.493 50 0 DIAAHM CCCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000004988471 181186060 /nfs/dbraw/zinc/18/60/60/181186060.db2.gz CXTKWCMNZGJKHU-UHFFFAOYSA-N -1 3 310.353 4.247 50 0 DIAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000005133601 181207973 /nfs/dbraw/zinc/20/79/73/181207973.db2.gz YOIYHFKWCIFLRJ-UHFFFAOYSA-N -1 3 309.818 4.012 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)c1 ZINC000005942680 181299494 /nfs/dbraw/zinc/29/94/94/181299494.db2.gz ZLHYGZZQAPMNHZ-UHFFFAOYSA-N -1 3 323.845 4.374 50 0 DIAAHM COc1ccccc1NC(=O)c1cc(=S)[n-]c2ccccc21 ZINC000006378656 181335594 /nfs/dbraw/zinc/33/55/94/181335594.db2.gz HSWQFOBCVUXWRO-UHFFFAOYSA-N -1 3 310.378 4.158 50 0 DIAAHM Clc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1 ZINC000017169892 182078533 /nfs/dbraw/zinc/07/85/33/182078533.db2.gz PILJIPCVWNBJIJ-UHFFFAOYSA-N -1 3 312.716 4.040 50 0 DIAAHM Clc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000017169892 182078537 /nfs/dbraw/zinc/07/85/37/182078537.db2.gz PILJIPCVWNBJIJ-UHFFFAOYSA-N -1 3 312.716 4.040 50 0 DIAAHM CC[C@H]1CCc2sc(C(=O)Nc3ccccc3[O-])cc2C1 ZINC000024990919 182397673 /nfs/dbraw/zinc/39/76/73/182397673.db2.gz LWTABZUISJOLIT-NSHDSACASA-N -1 3 301.411 4.221 50 0 DIAAHM O=C(Nc1ccccc1[O-])c1ccccc1CCC(F)(F)F ZINC000408513662 257256054 /nfs/dbraw/zinc/25/60/54/257256054.db2.gz WFRJCLBORUCJFI-UHFFFAOYSA-N -1 3 309.287 4.139 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C ZINC000011613720 563538045 /nfs/dbraw/zinc/53/80/45/563538045.db2.gz YFQTUQRPSVFMPU-UHFFFAOYSA-N -1 3 323.845 4.374 50 0 DIAAHM CC(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000496916 563263703 /nfs/dbraw/zinc/26/37/03/563263703.db2.gz BMZZWMWWFJLKMD-UHFFFAOYSA-N -1 3 319.788 4.187 50 0 DIAAHM CC(=O)Oc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1 ZINC000008036173 563344095 /nfs/dbraw/zinc/34/40/95/563344095.db2.gz OVSXWWTXMRTRFO-CSKARUKUSA-N -1 3 305.333 4.036 50 0 DIAAHM Cc1sc2[n-]c(-c3ccccn3)nc(=O)c2c1-c1ccccc1 ZINC000013598001 563383883 /nfs/dbraw/zinc/38/38/83/563383883.db2.gz BBQMALWNAZQCGJ-UHFFFAOYSA-N -1 3 319.389 4.022 50 0 DIAAHM Cc1ccc(-c2ocnc2C(=O)[N-]c2ccc(Cl)cc2F)o1 ZINC000033049072 563476908 /nfs/dbraw/zinc/47/69/08/563476908.db2.gz FYMIGKBYZAQFGZ-UHFFFAOYSA-N -1 3 320.707 4.288 50 0 DIAAHM Cc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)c([O-])c1 ZINC000012600185 563802918 /nfs/dbraw/zinc/80/29/18/563802918.db2.gz ATLGDGSDQRDYIC-UHFFFAOYSA-N -1 3 314.143 4.399 50 0 DIAAHM Cc1ccc(-c2cc(C(=O)[N-]c3ccc(F)cc3F)on2)cc1 ZINC000036390857 563897868 /nfs/dbraw/zinc/89/78/68/563897868.db2.gz AZVKACPROYWSMN-UHFFFAOYSA-N -1 3 314.291 4.181 50 0 DIAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007381966 563905827 /nfs/dbraw/zinc/90/58/27/563905827.db2.gz IJXNUKVLMGFCSQ-UHFFFAOYSA-N -1 3 321.417 4.232 50 0 DIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000014255847 563910453 /nfs/dbraw/zinc/91/04/53/563910453.db2.gz LXYKXNUEOQQJFS-UHFFFAOYSA-N -1 3 323.845 4.402 50 0 DIAAHM Cc1nc(C(=O)Nc2ccccc2[O-])c(-c2ccccc2)s1 ZINC000079487415 563930396 /nfs/dbraw/zinc/93/03/96/563930396.db2.gz NUALHNJOERGZOS-UHFFFAOYSA-N -1 3 310.378 4.076 50 0 DIAAHM Clc1cccc(CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000008273882 563947605 /nfs/dbraw/zinc/94/76/05/563947605.db2.gz SOJSIDDTILQABX-UHFFFAOYSA-N -1 3 307.831 4.479 50 0 DIAAHM Cc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)c([O-])c1 ZINC000009154543 563953535 /nfs/dbraw/zinc/95/35/35/563953535.db2.gz SJRUKUGLMNQAND-UHFFFAOYSA-N -1 3 320.392 4.047 50 0 DIAAHM Cc1c([O-])ccc2c(CN(C)[C@@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979311 568418555 /nfs/dbraw/zinc/41/85/55/568418555.db2.gz OCUVKVIVKKZXSB-AWEZNQCLSA-N -1 3 323.392 4.000 50 0 DIAAHM CC(C)C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000000447498 1047339715 /nfs/dbraw/zinc/33/97/15/1047339715.db2.gz AXZKLPKVGXKCFJ-UHFFFAOYSA-N -1 3 312.394 4.263 50 0 DIAAHM CC(C)C[C@H](NCc1cccc([O-])c1Cl)c1cccnc1 ZINC000952983643 1051126481 /nfs/dbraw/zinc/12/64/81/1051126481.db2.gz HWIKESGCVJOQAT-HNNXBMFYSA-N -1 3 304.821 4.318 50 0 DIAAHM Cc1nc(C(=O)Nc2ccccc2[O-])c(Cc2ccccc2)s1 ZINC000095475301 185373378 /nfs/dbraw/zinc/37/33/78/185373378.db2.gz WIORZFLCKIMNJV-UHFFFAOYSA-N -1 3 324.405 4.000 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)cc2)cc1C ZINC000003329109 181005986 /nfs/dbraw/zinc/00/59/86/181005986.db2.gz ZSSGPZSHKUUHTF-UHFFFAOYSA-N -1 3 317.454 4.402 50 0 DIAAHM CCOc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1O ZINC000004140899 181078530 /nfs/dbraw/zinc/07/85/30/181078530.db2.gz YDYKSXGMFNQJPZ-ZRDIBKRKSA-N -1 3 307.349 4.215 50 0 DIAAHM [O-]c1ccccc1C(=S)N1CCC(Cc2ccccc2)CC1 ZINC000004723643 181142431 /nfs/dbraw/zinc/14/24/31/181142431.db2.gz BLKCPAKRVYODCE-UHFFFAOYSA-N -1 3 311.450 4.022 50 0 DIAAHM Cn1nc(/C=C/c2ccccc2Cl)nc1-c1ccccc1[O-] ZINC000004786450 181152593 /nfs/dbraw/zinc/15/25/93/181152593.db2.gz MKVCXACOVZZYQM-ZHACJKMWSA-N -1 3 311.772 4.012 50 0 DIAAHM O=C1CCCC[C@@H]1Sc1nnc([N-]c2ccccc2F)s1 ZINC000006474012 181343766 /nfs/dbraw/zinc/34/37/66/181343766.db2.gz DFJPCIGDXVSMRU-LBPRGKRZSA-N -1 3 323.418 4.025 50 0 DIAAHM Cc1cc([N-]C(=O)c2sc3cccc(F)c3c2Cl)no1 ZINC000006826223 181395504 /nfs/dbraw/zinc/39/55/04/181395504.db2.gz MCDXBOSWSCLPGC-UHFFFAOYSA-N -1 3 310.737 4.243 50 0 DIAAHM Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)c([O-])c1 ZINC000009834585 181643193 /nfs/dbraw/zinc/64/31/93/181643193.db2.gz ODXWVEZLLNVKEM-UHFFFAOYSA-N -1 3 308.381 4.143 50 0 DIAAHM O=c1nc(-c2cccs2)[n-]c2sc3c(c21)CCCCCC3 ZINC000016193575 182036649 /nfs/dbraw/zinc/03/66/49/182036649.db2.gz MRHBEKJRMPZJHC-UHFFFAOYSA-N -1 3 316.451 4.372 50 0 DIAAHM CCc1nnc([N-]C(=O)c2oc3ccc(Cl)cc3c2C)s1 ZINC000018117212 182094140 /nfs/dbraw/zinc/09/41/40/182094140.db2.gz RCMJRFCIIQUMFA-UHFFFAOYSA-N -1 3 321.789 4.061 50 0 DIAAHM Cc1cc(Nc2ccc(N(C)C)cc2)c2cc(C(=O)[O-])ccc2n1 ZINC000019691612 182137638 /nfs/dbraw/zinc/13/76/38/182137638.db2.gz LJODJOOUHMKNTG-UHFFFAOYSA-N -1 3 321.380 4.051 50 0 DIAAHM Cc1cc(CSc2nnc([N-]c3ccccc3F)s2)no1 ZINC000020037154 182182275 /nfs/dbraw/zinc/18/22/75/182182275.db2.gz QXYABIQMZDRONP-UHFFFAOYSA-N -1 3 322.390 4.010 50 0 DIAAHM O=C(CCc1ccc(-c2ccccc2)o1)[N-]OCc1ccccc1 ZINC000023040063 182345561 /nfs/dbraw/zinc/34/55/61/182345561.db2.gz NUTIOLRYWHBXEW-UHFFFAOYSA-N -1 3 321.376 4.127 50 0 DIAAHM O=C([N-]c1nncs1)c1ccc(-c2ccccc2Cl)s1 ZINC000040286564 183051103 /nfs/dbraw/zinc/05/11/03/183051103.db2.gz DIMXRPPVXJGGDD-UHFFFAOYSA-N -1 3 321.814 4.172 50 0 DIAAHM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000461362 563630929 /nfs/dbraw/zinc/63/09/29/563630929.db2.gz ULVDRFCAEHOXTJ-UHFFFAOYSA-N -1 3 307.390 4.058 50 0 DIAAHM Cc1ccsc1[C@H]1SC(C)=Nc2c1c(=O)[n-]n2C(C)C ZINC000085412450 563835799 /nfs/dbraw/zinc/83/57/99/563835799.db2.gz XEEOVKNRLQLYGC-LBPRGKRZSA-N -1 3 307.444 4.013 50 0 DIAAHM CCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000139432 563222710 /nfs/dbraw/zinc/22/27/10/563222710.db2.gz XMCNRUCIPMYQLI-UHFFFAOYSA-N -1 3 317.454 4.482 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1 ZINC000000253048 563233936 /nfs/dbraw/zinc/23/39/36/563233936.db2.gz XYLPRYCZUUZNSX-UHFFFAOYSA-N -1 3 303.427 4.030 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000000271583 563235102 /nfs/dbraw/zinc/23/51/02/563235102.db2.gz REEBOOBKPCZVRH-UHFFFAOYSA-N -1 3 303.427 4.030 50 0 DIAAHM CCc1cccc(C)c1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000000272600 563235528 /nfs/dbraw/zinc/23/55/28/563235528.db2.gz IJMUTGZZIGWUMR-UHFFFAOYSA-N -1 3 317.454 4.283 50 0 DIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c1 ZINC000000380185 563247473 /nfs/dbraw/zinc/24/74/73/563247473.db2.gz LGXSFHNTKPFKOG-UHFFFAOYSA-N -1 3 303.427 4.030 50 0 DIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000000401762 563251276 /nfs/dbraw/zinc/25/12/76/563251276.db2.gz MLAXIXCOTZHDRD-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000000618865 563270341 /nfs/dbraw/zinc/27/03/41/563270341.db2.gz NOSJRIVSBJBHFQ-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM O=C([N-]c1c2ccccc2oc1C(=O)c1ccco1)c1ccco1 ZINC000014249801 563399843 /nfs/dbraw/zinc/39/98/43/563399843.db2.gz GKKMLXNGAFKCQC-UHFFFAOYSA-N -1 3 321.288 4.102 50 0 DIAAHM CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3[O-])o2)cc1 ZINC000014704295 563402986 /nfs/dbraw/zinc/40/29/86/563402986.db2.gz AOOUHPHIDNOTNQ-UHFFFAOYSA-N -1 3 321.332 4.107 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000354417 563590049 /nfs/dbraw/zinc/59/00/49/563590049.db2.gz MPJRDZGBNJINKI-UHFFFAOYSA-N -1 3 317.454 4.402 50 0 DIAAHM Cc1ccc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])c(C)c1 ZINC000000365081 563590640 /nfs/dbraw/zinc/59/06/40/563590640.db2.gz HVFPGYVVLVDISC-GFCCVEGCSA-N -1 3 319.788 4.068 50 0 DIAAHM CCc1cc(C(=O)Cc2ccc3ccccc3n2)c(O)cc1[O-] ZINC000100742243 563599901 /nfs/dbraw/zinc/59/99/01/563599901.db2.gz CSMLOQOMPLQKDF-VCHYOVAHSA-N -1 3 307.349 4.265 50 0 biogenic DIAAHM [O-]c1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1 ZINC000000411387 563611626 /nfs/dbraw/zinc/61/16/26/563611626.db2.gz KXIXEXLOARLYNM-UHFFFAOYSA-N -1 3 318.785 4.388 50 0 DIAAHM O=C(Nc1ccccc1[O-])C1c2ccccc2Oc2ccccc21 ZINC000012998619 563874501 /nfs/dbraw/zinc/87/45/01/563874501.db2.gz UNCKUSWAQVHWOD-UHFFFAOYSA-N -1 3 317.344 4.269 50 0 DIAAHM CCc1nnc([N-]C(=O)c2sc3cccc(F)c3c2C)s1 ZINC000007667691 563917786 /nfs/dbraw/zinc/91/77/86/563917786.db2.gz JDEOMAFJJAOHCG-UHFFFAOYSA-N -1 3 321.402 4.015 50 0 DIAAHM [O-]c1cc(Br)ccc1-c1ccnn1-c1ccccc1 ZINC000044672061 563923875 /nfs/dbraw/zinc/92/38/75/563923875.db2.gz QQHKMKFWTKZINC-UHFFFAOYSA-N -1 3 315.170 4.007 50 0 DIAAHM CC(=O)c1cc2c(C)c(C(=O)c3ccc(C)cc3)oc2cc1[O-] ZINC000039930874 563951314 /nfs/dbraw/zinc/95/13/14/563951314.db2.gz CYWBGPXOXLLYHN-UHFFFAOYSA-N -1 3 308.333 4.189 50 0 DIAAHM Clc1cccc2c1CC[C@H]2[N-]c1nc(-c2ccccc2)no1 ZINC000069516076 563953168 /nfs/dbraw/zinc/95/31/68/563953168.db2.gz NUKBEDKFCIPMDC-OAHLLOKOSA-N -1 3 311.772 4.489 50 0 DIAAHM O=C(Nc1ccccc1[O-])c1cccc(OCc2ccccc2)c1 ZINC000010472862 563959483 /nfs/dbraw/zinc/95/94/83/563959483.db2.gz AHTLLBQVFDTKOO-UHFFFAOYSA-N -1 3 319.360 4.224 50 0 DIAAHM CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000079484172 185173669 /nfs/dbraw/zinc/17/36/69/185173669.db2.gz RLWOTDUWMIPXHH-CYBMUJFWSA-N -1 3 309.435 4.126 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2C)cc1 ZINC000000345550 180762620 /nfs/dbraw/zinc/76/26/20/180762620.db2.gz FJQVWYOOHQLCMK-UHFFFAOYSA-N -1 3 317.454 4.402 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1 ZINC000004297028 181094463 /nfs/dbraw/zinc/09/44/63/181094463.db2.gz GVQWVRPWSCZNPY-UHFFFAOYSA-N -1 3 303.427 4.228 50 0 DIAAHM Cc1cc(NC(=O)C(C)C)cc(-c2nc3ccccc3o2)c1[O-] ZINC000004736800 181144546 /nfs/dbraw/zinc/14/45/46/181144546.db2.gz ODEBWGPSMGVGEV-UHFFFAOYSA-N -1 3 310.353 4.103 50 0 DIAAHM C[C@H]1CC(=S)[N-]c2ccccc2N1C(=O)Nc1ccccc1 ZINC000005175943 181213139 /nfs/dbraw/zinc/21/31/39/181213139.db2.gz SXFQMQZRLYXGAP-LBPRGKRZSA-N -1 3 311.410 4.257 50 0 DIAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000006316958 181329645 /nfs/dbraw/zinc/32/96/45/181329645.db2.gz UYFDLEGCUJKHQC-UHFFFAOYSA-N -1 3 317.454 4.338 50 0 DIAAHM CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2[O-])cc1 ZINC000018057120 182091413 /nfs/dbraw/zinc/09/14/13/182091413.db2.gz AOGQBLZVZHYMHX-UHFFFAOYSA-N -1 3 310.353 4.233 50 0 DIAAHM Cc1[nH]nc(-c2ccc(O)cc2[O-])c1-c1nc2ccccc2s1 ZINC000018158752 182095123 /nfs/dbraw/zinc/09/51/23/182095123.db2.gz ZINUBXHFNNZJJX-UHFFFAOYSA-N -1 3 323.377 4.073 50 0 DIAAHM Cc1ccsc1CN(C)C(=O)[N-]c1cc(CC(C)(C)C)no1 ZINC000058209147 184088212 /nfs/dbraw/zinc/08/82/12/184088212.db2.gz GKPYEGKDTGSOLV-UHFFFAOYSA-N -1 3 321.446 4.297 50 0 DIAAHM CCc1noc(C)c1[N-]C(=O)c1ccc(-c2ccccc2F)o1 ZINC000133087443 196310890 /nfs/dbraw/zinc/31/08/90/196310890.db2.gz MOGHUGWXVPNJLH-UHFFFAOYSA-N -1 3 314.316 4.197 50 0 DIAAHM CN(Cn1nc(-c2cccs2)[n-]c1=S)C1CCCCCC1 ZINC000048310548 563695740 /nfs/dbraw/zinc/69/57/40/563695740.db2.gz BGKVUIHIYHYSCC-UHFFFAOYSA-N -1 3 322.503 4.281 50 0 DIAAHM [O-]c1ccccc1-c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000000033596 563506233 /nfs/dbraw/zinc/50/62/33/563506233.db2.gz MRKQQOBCZIBUNK-UHFFFAOYSA-N -1 3 307.136 4.416 50 0 DIAAHM Cc1[nH]nc(-c2ccc(O)c(C)c2[O-])c1Oc1ccccc1F ZINC000000315397 563240059 /nfs/dbraw/zinc/24/00/59/563240059.db2.gz CVMWVTMKYUIPHP-UHFFFAOYSA-N -1 3 314.316 4.036 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)c1 ZINC000000380175 563247777 /nfs/dbraw/zinc/24/77/77/563247777.db2.gz OZDVVPJZSZZLBC-UHFFFAOYSA-N -1 3 303.427 4.030 50 0 DIAAHM O=S(=O)([N-]c1ccccc1Cl)c1ccc2ccccc2c1 ZINC000000392386 563249986 /nfs/dbraw/zinc/24/99/86/563249986.db2.gz HDUWQAHYVJUUDS-UHFFFAOYSA-N -1 3 317.797 4.294 50 0 DIAAHM Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000002881628 563316973 /nfs/dbraw/zinc/31/69/73/563316973.db2.gz GBFXRMCQQYQENK-UHFFFAOYSA-N -1 3 307.802 4.085 50 0 DIAAHM [O-]c1ccc(Br)cc1-c1ccnn1-c1ccccc1 ZINC000013126472 563378285 /nfs/dbraw/zinc/37/82/85/563378285.db2.gz HCGKUKCQPZDMJD-UHFFFAOYSA-N -1 3 315.170 4.007 50 0 DIAAHM Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1[O-] ZINC000014164401 563396968 /nfs/dbraw/zinc/39/69/68/563396968.db2.gz DSDLWQZXDIESLB-UHFFFAOYSA-N -1 3 316.407 4.138 50 0 DIAAHM [O-]c1cc(O)ccc1-c1csc(Nc2ccc(F)cc2)n1 ZINC000014184086 563397903 /nfs/dbraw/zinc/39/79/03/563397903.db2.gz GQGCJIITZXSESD-UHFFFAOYSA-N -1 3 302.330 4.104 50 0 DIAAHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1 ZINC000014224925 563398780 /nfs/dbraw/zinc/39/87/80/563398780.db2.gz WZBOIBFWGLPFOB-UHFFFAOYSA-N -1 3 321.417 4.278 50 0 DIAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)c1 ZINC000014255715 563399450 /nfs/dbraw/zinc/39/94/50/563399450.db2.gz QCEXFUFXBNJOKS-UHFFFAOYSA-N -1 3 303.427 4.228 50 0 DIAAHM C[C@@H](c1nnc([N-]C(=O)c2cccs2)s1)c1ccccc1 ZINC000012383929 563419061 /nfs/dbraw/zinc/41/90/61/563419061.db2.gz DRWSXJJIXQAVLL-SNVBAGLBSA-N -1 3 315.423 4.004 50 0 DIAAHM O=C([N-]c1nnc(C2CCCCC2)o1)c1cc2ccccc2o1 ZINC000010881995 563419810 /nfs/dbraw/zinc/41/98/10/563419810.db2.gz VGHVRCDLMDEPSC-UHFFFAOYSA-N -1 3 311.341 4.116 50 0 DIAAHM [O-]c1cc(O)ccc1-c1csc(Nc2ccc(F)cc2F)n1 ZINC000025061639 563421510 /nfs/dbraw/zinc/42/15/10/563421510.db2.gz XNERUXZCDWJLKB-UHFFFAOYSA-N -1 3 320.320 4.243 50 0 DIAAHM Cc1ccc(-c2ocnc2C(=O)[N-]c2ccc(F)cc2F)s1 ZINC000033049096 563477885 /nfs/dbraw/zinc/47/78/85/563477885.db2.gz FUBYDCZXXYCHDD-UHFFFAOYSA-N -1 3 320.320 4.242 50 0 DIAAHM Cc1cc(C)[n-]c(=NN(Cc2ccccc2)c2ccccc2)n1 ZINC000098086601 563523951 /nfs/dbraw/zinc/52/39/51/563523951.db2.gz ZLQOVLDXTJVWOV-UHFFFAOYSA-N -1 3 304.397 4.127 50 0 DIAAHM Nc1cc(C(=O)Nc2ccc3ccccc3c2[O-])ccc1Cl ZINC000000235373 563580571 /nfs/dbraw/zinc/58/05/71/563580571.db2.gz DYPHUKKIZFUWMI-UHFFFAOYSA-N -1 3 312.756 4.033 50 0 DIAAHM Cc1nsc([N-]C(=O)c2oc3cc(C)c(Cl)cc3c2C)n1 ZINC000011917246 563602285 /nfs/dbraw/zinc/60/22/85/563602285.db2.gz URIGRMBLXXLMHO-UHFFFAOYSA-N -1 3 321.789 4.115 50 0 DIAAHM CC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)cc(C)c3o2)c1 ZINC000010119478 563615228 /nfs/dbraw/zinc/61/52/28/563615228.db2.gz HLKXCQBXBWATQW-UHFFFAOYSA-N -1 3 310.353 4.084 50 0 DIAAHM Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c([O-])c1 ZINC000008242061 563720099 /nfs/dbraw/zinc/72/00/99/563720099.db2.gz LZKFXOUVZXSBSD-UHFFFAOYSA-N -1 3 301.729 4.353 50 0 DIAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c([O-])c1 ZINC000013127403 563901599 /nfs/dbraw/zinc/90/15/99/563901599.db2.gz HNBSTAVYEBXTIE-UHFFFAOYSA-N -1 3 324.380 4.165 50 0 DIAAHM COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)cc1 ZINC000071283050 563909147 /nfs/dbraw/zinc/90/91/47/563909147.db2.gz AQIVRYKHIGBKIE-CQSZACIVSA-N -1 3 317.414 4.064 50 0 DIAAHM COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1 ZINC000071288073 563909258 /nfs/dbraw/zinc/90/92/58/563909258.db2.gz WPAAMJZVTAQTJU-CQSZACIVSA-N -1 3 317.414 4.064 50 0 DIAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000014255334 563910449 /nfs/dbraw/zinc/91/04/49/563910449.db2.gz JWPSPELUUWCDKR-UHFFFAOYSA-N -1 3 303.427 4.057 50 0 DIAAHM O=C(Nc1ccccc1)c1cccc(Cc2ccccc2)c1[O-] ZINC000000392057 568416228 /nfs/dbraw/zinc/41/62/28/568416228.db2.gz ZHDDIJCEBJVYSJ-UHFFFAOYSA-N -1 3 303.361 4.235 50 0 DIAAHM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000003326425 181005441 /nfs/dbraw/zinc/00/54/41/181005441.db2.gz ZSAWJIIUOQFIAX-UHFFFAOYSA-N -1 3 321.417 4.232 50 0 DIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003442973 181020446 /nfs/dbraw/zinc/02/04/46/181020446.db2.gz NITLBKFNUUZRDB-UHFFFAOYSA-N -1 3 303.427 4.138 50 0 DIAAHM Cc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000004667054 181133964 /nfs/dbraw/zinc/13/39/64/181133964.db2.gz KGBLGFVUUCCHRE-UHFFFAOYSA-N -1 3 307.390 4.058 50 0 DIAAHM O=C(CSc1ccc2ccccc2c1)Nc1ccccc1[O-] ZINC000004841529 181161217 /nfs/dbraw/zinc/16/12/17/181161217.db2.gz XPXCIXHNNZNMQV-UHFFFAOYSA-N -1 3 309.390 4.276 50 0 DIAAHM Cc1c2ccccc2oc1C(=O)[N-]c1nonc1-c1ccccc1 ZINC000005486617 181248529 /nfs/dbraw/zinc/24/85/29/181248529.db2.gz WZMHFMWIHMUWIR-UHFFFAOYSA-N -1 3 319.320 4.044 50 0 DIAAHM O=C1CCCC[C@H]1Sc1nnc([N-]c2ccccc2F)s1 ZINC000006474008 181343523 /nfs/dbraw/zinc/34/35/23/181343523.db2.gz DFJPCIGDXVSMRU-GFCCVEGCSA-N -1 3 323.418 4.025 50 0 DIAAHM CCc1nonc1[N-]C(=O)c1sc2cc(C)ccc2c1Cl ZINC000006743410 181381372 /nfs/dbraw/zinc/38/13/72/181381372.db2.gz CKGJVAARPBWCSK-UHFFFAOYSA-N -1 3 321.789 4.061 50 0 DIAAHM CC(=O)c1ccc(NC(=S)Nc2cc(Cl)ccc2[O-])cc1 ZINC000017055553 182072747 /nfs/dbraw/zinc/07/27/47/182072747.db2.gz DKWQSUSGGPYBQQ-UHFFFAOYSA-N -1 3 320.801 4.057 50 0 DIAAHM [O-]c1ccc(Cl)cc1-c1ccnc2cc(-c3ccccc3)nn21 ZINC000021729244 182287274 /nfs/dbraw/zinc/28/72/74/182287274.db2.gz BZGUKYITYSDSDC-UHFFFAOYSA-N -1 3 321.767 4.422 50 0 DIAAHM CC(C)(C)c1ccc([O-])c(NC(=O)c2nccc3ccccc32)c1 ZINC000060201261 184145258 /nfs/dbraw/zinc/14/52/58/184145258.db2.gz SZONGEAERCIROP-UHFFFAOYSA-N -1 3 320.392 4.490 50 0 DIAAHM Cc1cccc([O-])c1NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000179565853 256590684 /nfs/dbraw/zinc/59/06/84/256590684.db2.gz LPPGGZUPRFMIJO-UHFFFAOYSA-N -1 3 320.348 4.140 50 0 DIAAHM CCCCCCOc1ccc(-c2cc(=O)[n-]cn2)c(F)c1F ZINC000426465433 257249276 /nfs/dbraw/zinc/24/92/76/257249276.db2.gz JTADEQMKFAYCFH-UHFFFAOYSA-N -1 3 308.328 4.087 50 0 DIAAHM Cc1cc(Br)c(C(C)C)c(Br)c1[O-] ZINC000000169779 563226790 /nfs/dbraw/zinc/22/67/90/563226790.db2.gz RNTABDMPJXRYJI-UHFFFAOYSA-N -1 3 308.013 4.349 50 0 DIAAHM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000102437 563217375 /nfs/dbraw/zinc/21/73/75/563217375.db2.gz RXILIQBCXSGEDQ-GFCCVEGCSA-N -1 3 307.390 4.140 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)c1 ZINC000000246093 563233300 /nfs/dbraw/zinc/23/33/00/563233300.db2.gz JILMYSIUIOVECR-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2F)c([O-])c1 ZINC000000390699 563249178 /nfs/dbraw/zinc/24/91/78/563249178.db2.gz HPGJXWDPVFAFHS-UHFFFAOYSA-N -1 3 314.316 4.031 50 0 DIAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)on1 ZINC000009687951 563274683 /nfs/dbraw/zinc/27/46/83/563274683.db2.gz OZOACAYTCWRDCU-UHFFFAOYSA-N -1 3 319.773 4.012 50 0 DIAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000012631401 563372278 /nfs/dbraw/zinc/37/22/78/563372278.db2.gz BQMDLHXMSHJXHO-ZDUSSCGKSA-N -1 3 319.426 4.010 50 0 DIAAHM [O-]c1ccccc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000013126826 563378881 /nfs/dbraw/zinc/37/88/81/563378881.db2.gz BBHYPHDDSNJGIR-UHFFFAOYSA-N -1 3 306.243 4.128 50 0 DIAAHM S=c1[n-]c(-c2ccc(Br)cc2)nc2ccccc21 ZINC000013685343 563385449 /nfs/dbraw/zinc/38/54/49/563385449.db2.gz MKWVNTQJXOEFFY-UHFFFAOYSA-N -1 3 317.211 4.348 50 0 DIAAHM O=C([N-]c1cccc(Cl)c1F)c1cc(-c2ccccc2)no1 ZINC000033155724 563497561 /nfs/dbraw/zinc/49/75/61/563497561.db2.gz VMOSKEFCVALLRK-UHFFFAOYSA-N -1 3 316.719 4.386 50 0 DIAAHM O=C(c1cccc([O-])c1)N1CCCC[C@H]1CCc1cccs1 ZINC000077387763 563510230 /nfs/dbraw/zinc/51/02/30/563510230.db2.gz JFQVDFTWYNOXAO-HNNXBMFYSA-N -1 3 315.438 4.081 50 0 DIAAHM Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(F)cc2)ccc1[O-] ZINC000077407060 563510305 /nfs/dbraw/zinc/51/03/05/563510305.db2.gz JDKREHVEOGRYBM-KRWDZBQOSA-N -1 3 313.372 4.207 50 0 DIAAHM Clc1cccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000012415130 563773538 /nfs/dbraw/zinc/77/35/38/563773538.db2.gz JORXPHWYEAYTQH-UHFFFAOYSA-N -1 3 312.716 4.040 50 0 DIAAHM Clc1cccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000012415130 563773539 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CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(Nc2ccccc2C)[N-]C1=O ZINC000004030122 181064263 /nfs/dbraw/zinc/06/42/63/181064263.db2.gz XJHFBIBKHDBWKF-CYBMUJFWSA-N -1 3 315.417 4.092 50 0 DIAAHM COc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1OC ZINC000004123962 181076581 /nfs/dbraw/zinc/07/65/81/181076581.db2.gz HIEUKZAEHOYREI-ZRDIBKRKSA-N -1 3 307.349 4.128 50 0 DIAAHM CC(C)c1nnc([N-]C(=O)c2c(Cl)cccc2Cl)s1 ZINC000004558821 181124830 /nfs/dbraw/zinc/12/48/30/181124830.db2.gz JRULJXYAUZWXJW-UHFFFAOYSA-N -1 3 316.213 4.221 50 0 DIAAHM Cc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000004832762 181158754 /nfs/dbraw/zinc/15/87/54/181158754.db2.gz ZZQKQLJYIHWWRB-LLVKDONJSA-N -1 3 321.829 4.473 50 0 DIAAHM Cc1c(O)ccc(-c2n[nH]cc2Oc2ccc(Cl)cc2)c1[O-] ZINC000005341729 181231647 /nfs/dbraw/zinc/23/16/47/181231647.db2.gz NAVQHHKNTYMEAW-UHFFFAOYSA-N -1 3 316.744 4.242 50 0 DIAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1C ZINC000006623181 181361260 /nfs/dbraw/zinc/36/12/60/181361260.db2.gz KLRLDCAGTQOEAN-UHFFFAOYSA-N -1 3 303.427 4.228 50 0 DIAAHM COc1ccc(-c2c(C)[nH]nc2-c2ccc(OC)c(C)c2[O-])cc1 ZINC000018057124 182091545 /nfs/dbraw/zinc/09/15/45/182091545.db2.gz KDUQFKQFOXKDGD-UHFFFAOYSA-N -1 3 324.380 4.083 50 0 DIAAHM CCOc1ccc2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000019791995 182150415 /nfs/dbraw/zinc/15/04/15/182150415.db2.gz GNRUXNJUMPMBIL-UHFFFAOYSA-N -1 3 322.364 4.384 50 0 DIAAHM O=C(Nc1ccccc1[O-])c1ccccc1Oc1ccccc1 ZINC000021866425 182294945 /nfs/dbraw/zinc/29/49/45/182294945.db2.gz YGYGZHCNSOUYSB-UHFFFAOYSA-N -1 3 305.333 4.437 50 0 DIAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)c(C)s1 ZINC000024070077 182374034 /nfs/dbraw/zinc/37/40/34/182374034.db2.gz GCVINDLQYQCNPC-UHFFFAOYSA-N -1 3 315.847 4.128 50 0 DIAAHM O=c1[n-]c(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc21 ZINC000041154700 183178561 /nfs/dbraw/zinc/17/85/61/183178561.db2.gz CWDZMPMOWWFDRA-UHFFFAOYSA-N -1 3 323.739 4.311 50 0 DIAAHM O=C(c1cc([O-])ccc1Cl)N1CCCC[C@H]1c1ccco1 ZINC000331983867 336155113 /nfs/dbraw/zinc/15/51/13/336155113.db2.gz 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CC(C)(C)[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000079495736 563930568 /nfs/dbraw/zinc/93/05/68/563930568.db2.gz GPCKOSMANNTUEF-LBPRGKRZSA-N -1 3 309.435 4.126 50 0 DIAAHM Cc1cc(C)c(/C=C/S(=O)(=O)[N-]c2ccccc2F)c(C)c1 ZINC000096137068 563935658 /nfs/dbraw/zinc/93/56/58/563935658.db2.gz YTLBCCYPMJMVIP-CMDGGOBGSA-N -1 3 319.401 4.164 50 0 DIAAHM O=C([N-]c1cc(F)ccc1F)c1ncc(-c2ccc(F)cc2)o1 ZINC000009322294 563955187 /nfs/dbraw/zinc/95/51/87/563955187.db2.gz YBOPKDXCXODRJJ-UHFFFAOYSA-N -1 3 318.254 4.011 50 0 DIAAHM O=C([O-])c1ccccc1[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000072173967 191069580 /nfs/dbraw/zinc/06/95/80/191069580.db2.gz GGRUQXDFXVCIAL-CYBMUJFWSA-N -1 3 315.800 4.028 50 0 DIAAHM CCOc1cc(/C=C/c2ccc3cccc([O-])c3n2)ccc1O ZINC000004140901 181078755 /nfs/dbraw/zinc/07/87/55/181078755.db2.gz XKDYZXIRYYAJCG-RMKNXTFCSA-N -1 3 307.349 4.215 50 0 DIAAHM COc1cc(C)c(-c2n[nH]c(C)c2Oc2ccccc2)c([O-])c1 ZINC000005123811 181206329 /nfs/dbraw/zinc/20/63/29/181206329.db2.gz BVFUIZNUJQCBHJ-UHFFFAOYSA-N -1 3 310.353 4.200 50 0 DIAAHM Cc1nc2sc3c([n-]cnc3=S)c2c2c1COC(C)(C)C2 ZINC000005925883 181296450 /nfs/dbraw/zinc/29/64/50/181296450.db2.gz BQSOKWOQGUZCHB-UHFFFAOYSA-N -1 3 317.439 4.062 50 0 DIAAHM CCSC(SCC)c1n[n-]c(=S)n1-c1ccccc1 ZINC000006223870 181320906 /nfs/dbraw/zinc/32/09/06/181320906.db2.gz MFJBCFQSDXLAFB-UHFFFAOYSA-N -1 3 311.501 4.061 50 0 DIAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1 ZINC000006315183 181328947 /nfs/dbraw/zinc/32/89/47/181328947.db2.gz VSPREIYQVGLNSL-UHFFFAOYSA-N -1 3 315.438 4.100 50 0 DIAAHM Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000006839454 181397754 /nfs/dbraw/zinc/39/77/54/181397754.db2.gz AJYYMECATNUODW-UHFFFAOYSA-N -1 3 317.388 4.471 50 0 DIAAHM CCOc1ccc(NC(=S)Nc2cc(Cl)ccc2[O-])cc1 ZINC000017056323 182073491 /nfs/dbraw/zinc/07/34/91/182073491.db2.gz MNBDZOVRJUZEJP-UHFFFAOYSA-N -1 3 322.817 4.253 50 0 DIAAHM Cc1cc2occ(CC(=O)Nc3ncccc3[O-])c2cc1C(C)C ZINC000032721944 182656503 /nfs/dbraw/zinc/65/65/03/182656503.db2.gz 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/nfs/dbraw/zinc/23/91/85/563239185.db2.gz VREQUOSGBWTVFL-UHFFFAOYSA-N -1 3 314.381 4.045 50 0 DIAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C ZINC000000362449 563244932 /nfs/dbraw/zinc/24/49/32/563244932.db2.gz PSQMCXIUKAFHBS-UHFFFAOYSA-N -1 3 317.454 4.402 50 0 DIAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000365327 563245918 /nfs/dbraw/zinc/24/59/18/563245918.db2.gz XQMHUHRNKNAZJU-UHFFFAOYSA-N -1 3 317.454 4.347 50 0 DIAAHM Brc1cccc(-c2nnc([N-]c3ccccc3)o2)c1 ZINC000000406854 563251695 /nfs/dbraw/zinc/25/16/95/563251695.db2.gz NACTWSVTLCHXRI-UHFFFAOYSA-N -1 3 316.158 4.243 50 0 DIAAHM CSc1ccccc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000002465661 563303719 /nfs/dbraw/zinc/30/37/19/563303719.db2.gz QQWUTNDGCXATDW-UHFFFAOYSA-N -1 3 316.407 4.377 50 0 DIAAHM CC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012856548 563374500 /nfs/dbraw/zinc/37/45/00/563374500.db2.gz FMTYCNZXABCLDP-UHFFFAOYSA-N -1 3 310.353 4.084 50 0 DIAAHM Cc1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1F 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/nfs/dbraw/zinc/18/59/17/181185917.db2.gz HUSJFQWXAAKUHR-UHFFFAOYSA-N -1 3 324.380 4.420 50 0 DIAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000005121386 181205999 /nfs/dbraw/zinc/20/59/99/181205999.db2.gz WNSUMDQBJSDHPE-UHFFFAOYSA-N -1 3 319.426 4.010 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)c(C)c1 ZINC000005698216 181274173 /nfs/dbraw/zinc/27/41/73/181274173.db2.gz CWFDJTFNGFPZFJ-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM Cc1nc(C(C)C)c(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000096232228 193594593 /nfs/dbraw/zinc/59/45/93/193594593.db2.gz CCDCVZVBAJGZQC-UHFFFAOYSA-N -1 3 310.806 4.186 50 0 DIAAHM CCCC[C@H](CC)c1nnc([N-]C(=O)c2c(C)noc2C)s1 ZINC000013330736 181844509 /nfs/dbraw/zinc/84/45/09/181844509.db2.gz VLXDYOJQAVEHKZ-NSHDSACASA-N -1 3 322.434 4.079 50 0 DIAAHM CCc1nnc([N-]C(=O)c2oc3c(cccc3Cl)c2C)s1 ZINC000015963199 182026539 /nfs/dbraw/zinc/02/65/39/182026539.db2.gz VKHZGUVGUIUQPQ-UHFFFAOYSA-N -1 3 321.789 4.061 50 0 DIAAHM Cc1cc(OCCCC(=O)Nc2ccccc2[O-])ccc1Cl ZINC000016483001 182046410 /nfs/dbraw/zinc/04/64/10/182046410.db2.gz BGJLJZUGRNGVKO-UHFFFAOYSA-N -1 3 319.788 4.152 50 0 DIAAHM CCOc1ccccc1Nc1cc(C)nc2ccc(C(=O)[O-])cc21 ZINC000019691610 182137714 /nfs/dbraw/zinc/13/77/14/182137714.db2.gz LAZYQNORLCNFDZ-UHFFFAOYSA-N -1 3 322.364 4.384 50 0 DIAAHM O=C([N-]c1nnc(C2CC2)s1)c1cc(Cl)sc1Cl ZINC000000147177 563224517 /nfs/dbraw/zinc/22/45/17/563224517.db2.gz KIOOKFDTDZDCCY-UHFFFAOYSA-N -1 3 320.226 4.036 50 0 DIAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c(C)c1 ZINC000000304372 563238627 /nfs/dbraw/zinc/23/86/27/563238627.db2.gz OJUZFEKMUXEZBK-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM CSc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000002876814 563316252 /nfs/dbraw/zinc/31/62/52/563316252.db2.gz GUSUQZUVOFITEL-UHFFFAOYSA-N -1 3 321.467 4.135 50 0 DIAAHM CCC(CC)c1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000008315470 563345957 /nfs/dbraw/zinc/34/59/57/563345957.db2.gz YNTMXLSPNFBSFV-UHFFFAOYSA-N -1 3 315.398 4.440 50 0 DIAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 ZINC000012801248 563373906 /nfs/dbraw/zinc/37/39/06/563373906.db2.gz SRYJDBGEQNIFDX-UHFFFAOYSA-N -1 3 324.207 4.280 50 0 DIAAHM [O-]c1ccc(Br)cc1-c1cc(-c2ccccc2)[nH]n1 ZINC000013126471 563377860 /nfs/dbraw/zinc/37/78/60/563377860.db2.gz FGHRPNUFUMDZNL-UHFFFAOYSA-N -1 3 315.170 4.212 50 0 DIAAHM O=C([N-]c1nnc(C2CCCCC2)o1)c1ccc(Cl)s1 ZINC000010881173 563419915 /nfs/dbraw/zinc/41/99/15/563419915.db2.gz PXSQJKULMFWRLP-UHFFFAOYSA-N -1 3 311.794 4.085 50 0 DIAAHM O=C(Nc1ccccc1[O-])C(c1ccccc1)c1ccccc1 ZINC000001098906 563788704 /nfs/dbraw/zinc/78/87/04/563788704.db2.gz PTLXLLWBKWHWEJ-UHFFFAOYSA-N -1 3 303.361 4.163 50 0 DIAAHM [O-]c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1Cl ZINC000053193493 563836857 /nfs/dbraw/zinc/83/68/57/563836857.db2.gz IOCZKEDCWYJXEJ-GOSISDBHSA-N -1 3 310.784 4.029 50 0 DIAAHM O=C(c1ccc(Br)s1)c1coc2ccc([O-])cc12 ZINC000170622185 563908791 /nfs/dbraw/zinc/90/87/91/563908791.db2.gz UAUZGYISZKFLKT-UHFFFAOYSA-N -1 3 323.167 4.193 50 0 DIAAHM CSc1ccccc1[N-]C(=O)c1nc(Cl)ccc1Cl ZINC000008707031 563949900 /nfs/dbraw/zinc/94/99/00/563949900.db2.gz PAAKKDOMAXPWNY-UHFFFAOYSA-N -1 3 313.209 4.363 50 0 DIAAHM CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCCC1 ZINC000079484177 185173530 /nfs/dbraw/zinc/17/35/30/185173530.db2.gz RLWOTDUWMIPXHH-ZDUSSCGKSA-N -1 3 309.435 4.126 50 0 DIAAHM O=C([O-])c1ccc([C@H]2CCN(Cc3ccccc3Cl)C2)cc1 ZINC000072164159 191063850 /nfs/dbraw/zinc/06/38/50/191063850.db2.gz NRGSZQGEXKYPCE-HNNXBMFYSA-N -1 3 315.800 4.028 50 0 DIAAHM O=C([O-])c1ccccc1[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000072173966 191069588 /nfs/dbraw/zinc/06/95/88/191069588.db2.gz GGRUQXDFXVCIAL-ZDUSSCGKSA-N -1 3 315.800 4.028 50 0 DIAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000478310 180803689 /nfs/dbraw/zinc/80/36/89/180803689.db2.gz KZFAVEOKXRWNNZ-UHFFFAOYSA-N -1 3 317.454 4.402 50 0 DIAAHM CC(C)Oc1ccc(-c2n[nH]cc2-c2ccc(F)cc2)c([O-])c1 ZINC000004643316 181131462 /nfs/dbraw/zinc/13/14/62/181131462.db2.gz HHFPDNOGLMWBDT-UHFFFAOYSA-N -1 3 312.344 4.376 50 0 DIAAHM [O-]c1ccccc1-c1nc(/C=C/c2c[nH]c3ccccc23)no1 ZINC000004717851 181141601 /nfs/dbraw/zinc/14/16/01/181141601.db2.gz ULBLKEHIJAVQND-MDZDMXLPSA-N -1 3 303.321 4.094 50 0 DIAAHM COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c([O-])c1C ZINC000004756236 181148730 /nfs/dbraw/zinc/14/87/30/181148730.db2.gz XTIHFIMJONRYQD-UHFFFAOYSA-N -1 3 310.353 4.200 50 0 DIAAHM CC(C)c1ccc(Nc2nc([O-])c(Cc3ccccc3)s2)cc1 ZINC000005807928 181285788 /nfs/dbraw/zinc/28/57/88/181285788.db2.gz QQONAMSDPPMRRR-KRWDZBQOSA-N -1 3 324.449 4.463 50 0 DIAAHM O=C([O-])c1oc2ccccc2c1NC(=O)c1ccccc1Cl ZINC000006052043 181308559 /nfs/dbraw/zinc/30/85/59/181308559.db2.gz KZPNAPJHAKWLAO-UHFFFAOYSA-N -1 3 315.712 4.037 50 0 DIAAHM O=C([O-])c1ccc(CNCc2ccc(-c3ccccc3)cc2)cc1 ZINC000016493155 182047664 /nfs/dbraw/zinc/04/76/64/182047664.db2.gz KIIKLVBBBHXRHU-UHFFFAOYSA-N -1 3 317.388 4.342 50 0 DIAAHM Cc1ccccc1C1=NCC(=S)[N-]c2ccc(Cl)cc21 ZINC000039273344 183015731 /nfs/dbraw/zinc/01/57/31/183015731.db2.gz VROFHBLUNQTYBC-UHFFFAOYSA-N -1 3 300.814 4.239 50 0 DIAAHM Cc1c(O)ccc(-c2n[nH]cc2-c2nc3ccccc3s2)c1[O-] ZINC000018188334 257261067 /nfs/dbraw/zinc/26/10/67/257261067.db2.gz FGAMUBHORSEGNI-UHFFFAOYSA-N -1 3 323.377 4.073 50 0 DIAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000371701 563246402 /nfs/dbraw/zinc/24/64/02/563246402.db2.gz HZVPZEBRWXJBOH-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000409035 563252130 /nfs/dbraw/zinc/25/21/30/563252130.db2.gz XKYFURZKKYOSNE-CQSZACIVSA-N -1 3 303.427 4.309 50 0 DIAAHM S=c1[n-]c(SCCOc2ccccc2)nc2ccccc21 ZINC000002946233 563318188 /nfs/dbraw/zinc/31/81/88/563318188.db2.gz CIILIUMQOVRJCX-UHFFFAOYSA-N -1 3 314.435 4.463 50 0 DIAAHM COc1cc(Cl)ccc1NCc1ccc([O-])c2ncccc12 ZINC000012418979 563369249 /nfs/dbraw/zinc/36/92/49/563369249.db2.gz DDNKRWIFMGFGGQ-UHFFFAOYSA-N -1 3 314.772 4.215 50 0 DIAAHM COc1ccc2oc(C(=O)Nc3ccc(C)cc3[O-])c(C)c2c1 ZINC000014229827 563399012 /nfs/dbraw/zinc/39/90/12/563399012.db2.gz IGSYIEJXLDMSJX-UHFFFAOYSA-N -1 3 311.337 4.016 50 0 DIAAHM CC(C)(C)c1cnc(CSc2n[n-]c(-c3cccs3)n2)o1 ZINC000046212792 563426680 /nfs/dbraw/zinc/42/66/80/563426680.db2.gz IWZGFBFMLYYTMB-UHFFFAOYSA-N -1 3 320.443 4.111 50 0 DIAAHM CC[C@H](C)c1ccc(NC(=O)C(=S)[N-]C2CCCCC2)cc1 ZINC000000031509 563505243 /nfs/dbraw/zinc/50/52/43/563505243.db2.gz HHBJRKJBEOCRLS-ZDUSSCGKSA-N -1 3 318.486 4.388 50 0 DIAAHM O=C([N-]c1ccccc1F)c1sc(Cl)nc1C(F)(F)F ZINC000000384908 563591955 /nfs/dbraw/zinc/59/19/55/563591955.db2.gz QYOSDSIJCNMKGY-UHFFFAOYSA-N -1 3 324.686 4.207 50 0 DIAAHM Cc1ccc(-c2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)o1 ZINC000012810551 563836136 /nfs/dbraw/zinc/83/61/36/563836136.db2.gz NIOARKATOWMHQB-UHFFFAOYSA-N -1 3 308.362 4.220 50 0 DIAAHM Cc1nnc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1 ZINC000012850002 563844375 /nfs/dbraw/zinc/84/43/75/563844375.db2.gz NCKOIVASMFDOOK-UHFFFAOYSA-N -1 3 319.773 4.012 50 0 DIAAHM O=C([O-])CCCCCCNCc1cc(Cl)ccc1Cl ZINC000170612893 563907981 /nfs/dbraw/zinc/90/79/81/563907981.db2.gz HUQLDEVVEZYMEH-UHFFFAOYSA-N -1 3 304.217 4.118 50 0 DIAAHM Fc1cccc(F)c1C1=NCC(=S)[N-]c2ccc(Cl)cc21 ZINC000104101392 563921108 /nfs/dbraw/zinc/92/11/08/563921108.db2.gz IYDNPWDCXBEKGG-UHFFFAOYSA-N -1 3 322.767 4.209 50 0 DIAAHM CCc1nnc([N-]C(=O)c2sccc2-c2ccccc2)s1 ZINC000008751116 563950619 /nfs/dbraw/zinc/95/06/19/563950619.db2.gz LSXVWQPVKWLFMW-UHFFFAOYSA-N -1 3 315.423 4.081 50 0 DIAAHM [O-]c1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1 ZINC000013130048 1045554753 /nfs/dbraw/zinc/55/47/53/1045554753.db2.gz XULDIJYOGKVNID-UHFFFAOYSA-N -1 3 317.348 4.208 50 0 DIAAHM CC(=NNc1ccccc1C(F)(F)F)c1cc(F)ccc1[O-] ZINC000254392977 1047201119 /nfs/dbraw/zinc/20/11/19/1047201119.db2.gz NGIZKJQBPKURMR-UHFFFAOYSA-N -1 3 312.266 4.386 50 0 DIAAHM O=C([N-]c1ccon1)c1sc2cc(Cl)ccc2c1Cl ZINC000002764012 180953495 /nfs/dbraw/zinc/95/34/95/180953495.db2.gz RAZKUFJAHONKOA-UHFFFAOYSA-N -1 3 313.165 4.448 50 0 DIAAHM CCCCCc1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000003557730 181034505 /nfs/dbraw/zinc/03/45/05/181034505.db2.gz GLUYWTBYDQQFEQ-UHFFFAOYSA-N -1 3 315.398 4.269 50 0 DIAAHM COc1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1OC ZINC000003905829 181056009 /nfs/dbraw/zinc/05/60/09/181056009.db2.gz OVVDLNLXVMGBMW-RMKNXTFCSA-N -1 3 307.349 4.128 50 0 biogenic DIAAHM O=C(Nc1ccc([O-])c2ncccc12)C12CC3CC(CC(C3)C1)C2 ZINC000004538019 181121086 /nfs/dbraw/zinc/12/10/86/181121086.db2.gz GWYLANKVOBBILX-UHFFFAOYSA-N -1 3 322.408 4.095 50 0 DIAAHM CCCCc1ccc([N-]S(=O)(=O)c2ccccc2C)cc1 ZINC000004660759 181133299 /nfs/dbraw/zinc/13/32/99/181133299.db2.gz PSYSEMLHZHRHRD-UHFFFAOYSA-N -1 3 303.427 4.138 50 0 DIAAHM CCCOc1ccc(-c2n[nH]cc2Oc2ccccc2)c([O-])c1 ZINC000004755829 181148950 /nfs/dbraw/zinc/14/89/50/181148950.db2.gz LWRNKRWWWITVRA-UHFFFAOYSA-N -1 3 310.353 4.363 50 0 DIAAHM O=C([N-]c1nnc(/C=C/c2ccccc2)s1)c1cccs1 ZINC000004837893 181159961 /nfs/dbraw/zinc/15/99/61/181159961.db2.gz WDBNBKRSMUGGKK-CMDGGOBGSA-N -1 3 313.407 4.022 50 0 DIAAHM CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c([O-])c1 ZINC000005019324 181191653 /nfs/dbraw/zinc/19/16/53/181191653.db2.gz HMUJZVJFTFUADW-UHFFFAOYSA-N -1 3 310.353 4.282 50 0 DIAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c([O-])c1 ZINC000005123815 181206450 /nfs/dbraw/zinc/20/64/50/181206450.db2.gz BDIYLAGZQDBUQS-UHFFFAOYSA-N -1 3 312.344 4.296 50 0 DIAAHM O=c1[n-]c(=S)[nH]c2c1[C@H](C1CCCCC1)Cc1ccccc1-2 ZINC000005687450 181273011 /nfs/dbraw/zinc/27/30/11/181273011.db2.gz XLXBITNIOOSXGN-AWEZNQCLSA-N -1 3 312.438 4.319 50 0 DIAAHM CC(C)c1ccc(Nc2nc([O-])c(Cc3ccccc3)s2)cc1 ZINC000005807932 181285815 /nfs/dbraw/zinc/28/58/15/181285815.db2.gz QQONAMSDPPMRRR-QGZVFWFLSA-N -1 3 324.449 4.463 50 0 DIAAHM O=c1nc(-c2cccs2)[n-]c2scc(-c3ccccc3)c21 ZINC000006648829 181365395 /nfs/dbraw/zinc/36/53/95/181365395.db2.gz DAEMMBDNRXPPRG-UHFFFAOYSA-N -1 3 310.403 4.380 50 0 DIAAHM COc1ccc(-c2onc(C)c2-c2ccccc2OC)c([O-])c1 ZINC000006719893 181376660 /nfs/dbraw/zinc/37/66/60/181376660.db2.gz HFGUIAXNDPLYII-UHFFFAOYSA-N -1 3 311.337 4.040 50 0 DIAAHM COc1ccc([N-]c2nc(-c3ccccc3)no2)cc1Cl ZINC000015770751 182015785 /nfs/dbraw/zinc/01/57/85/182015785.db2.gz DADXYFAAIXZKCU-UHFFFAOYSA-N -1 3 301.733 4.142 50 0 DIAAHM COc1cc([O-])c(C(=O)Cc2ccccc2Cl)cc1Cl ZINC000064220082 184293077 /nfs/dbraw/zinc/29/30/77/184293077.db2.gz KFJLQCSHEKSGOW-UHFFFAOYSA-N -1 3 311.164 4.133 50 0 DIAAHM CCCCCc1nnc([N-]C(=O)c2sccc2Cl)s1 ZINC000285212631 535147467 /nfs/dbraw/zinc/14/74/67/535147467.db2.gz VZHHKHYPVQPJCW-UHFFFAOYSA-N -1 3 315.851 4.238 50 0 DIAAHM CCOc1cc(-c2ccc([O-])cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000277991 563235164 /nfs/dbraw/zinc/23/51/64/563235164.db2.gz ZKPCUOIEEHWGOT-UHFFFAOYSA-N -1 3 310.349 4.181 50 0 biogenic DIAAHM COc1ccc(-c2n[nH]c(C)c2Oc2ccc(F)cc2)c([O-])c1 ZINC000000315646 563240140 /nfs/dbraw/zinc/24/01/40/563240140.db2.gz RXUYUUBEPFMEIN-UHFFFAOYSA-N -1 3 314.316 4.031 50 0 DIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000000470756 563260639 /nfs/dbraw/zinc/26/06/39/563260639.db2.gz NBOLAZQARRQMPP-UHFFFAOYSA-N -1 3 319.426 4.010 50 0 DIAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000477362 563262175 /nfs/dbraw/zinc/26/21/75/563262175.db2.gz FMVLCQZGWQQOOW-UHFFFAOYSA-N -1 3 303.427 4.093 50 0 DIAAHM O=c1[n-]sc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c12 ZINC000000495277 563263346 /nfs/dbraw/zinc/26/33/46/563263346.db2.gz YEHPKCIIMCLZTQ-UHFFFAOYSA-N -1 3 322.364 4.458 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)c(C)c1 ZINC000000571022 563267816 /nfs/dbraw/zinc/26/78/16/563267816.db2.gz FWPQWAYWTCQSAJ-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM O=C([N-]c1ccon1)c1sc2cccc(Cl)c2c1Cl ZINC000002762870 563312872 /nfs/dbraw/zinc/31/28/72/563312872.db2.gz TZJLUVSYEHIKAJ-UHFFFAOYSA-N -1 3 313.165 4.448 50 0 DIAAHM O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccccc2)no1 ZINC000032913643 563411506 /nfs/dbraw/zinc/41/15/06/563411506.db2.gz NBFJIYVTXYBHBE-UHFFFAOYSA-N -1 3 321.361 4.204 50 0 DIAAHM CC(=O)Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000004707071 563449691 /nfs/dbraw/zinc/44/96/91/563449691.db2.gz JNFLFPQANMAEML-PKNBQFBNSA-N -1 3 304.349 4.069 50 0 DIAAHM CC[C@H](C)N(Cc1cccnc1)Cc1ccc([O-])c(Cl)c1 ZINC000055089005 563470976 /nfs/dbraw/zinc/47/09/76/563470976.db2.gz DKAQSKJVLSUHGQ-ZDUSSCGKSA-N -1 3 304.821 4.241 50 0 DIAAHM CC[C@@H](C)N(Cc1ccncc1)Cc1ccc([O-])c(Cl)c1 ZINC000063847249 563485603 /nfs/dbraw/zinc/48/56/03/563485603.db2.gz UOSJZNFBGHLOJI-CYBMUJFWSA-N -1 3 304.821 4.241 50 0 DIAAHM CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C(C)=O)c([O-])cc21 ZINC000068755279 563495600 /nfs/dbraw/zinc/49/56/00/563495600.db2.gz BFRAMWBPJVDFDG-UHFFFAOYSA-N -1 3 321.376 4.358 50 0 DIAAHM Cc1[nH]nc(-c2ccc(O)cc2[O-])c1Oc1ccc(Cl)cc1 ZINC000000086735 563526335 /nfs/dbraw/zinc/52/63/35/563526335.db2.gz RXNAWJOUYWUNJU-UHFFFAOYSA-N -1 3 316.744 4.242 50 0 DIAAHM Cc1c([O-])ccc2c(CN(C)[C@H](C)c3ccccc3)cc(=O)oc12 ZINC000012979309 563596060 /nfs/dbraw/zinc/59/60/60/563596060.db2.gz OCUVKVIVKKZXSB-CQSZACIVSA-N -1 3 323.392 4.000 50 0 DIAAHM CCC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000012409654 563614949 /nfs/dbraw/zinc/61/49/49/563614949.db2.gz VSOAUSLQUWDBFE-UHFFFAOYSA-N -1 3 324.380 4.474 50 0 DIAAHM Cc1cc([N-]C(=O)c2csc(-c3ccc(Cl)cc3)n2)no1 ZINC000012686446 563810009 /nfs/dbraw/zinc/81/00/09/563810009.db2.gz ZFIMUNBRJZULCH-UHFFFAOYSA-N -1 3 319.773 4.012 50 0 DIAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000007428499 563906294 /nfs/dbraw/zinc/90/62/94/563906294.db2.gz DCAVEVSKIBZEMK-UHFFFAOYSA-N -1 3 307.390 4.058 50 0 DIAAHM COc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1[O-] ZINC000007719276 563918074 /nfs/dbraw/zinc/91/80/74/563918074.db2.gz TWZHJEMVUJAOFK-ZDUSSCGKSA-N -1 3 321.376 4.045 50 0 DIAAHM CC(C)(C)[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000079495737 563930574 /nfs/dbraw/zinc/93/05/74/563930574.db2.gz GPCKOSMANNTUEF-GFCCVEGCSA-N -1 3 309.435 4.126 50 0 DIAAHM O=C(Nc1ccccc1[O-])c1cccnc1SC1CCCC1 ZINC000040156616 563951643 /nfs/dbraw/zinc/95/16/43/563951643.db2.gz STTITGIZTSMLAO-UHFFFAOYSA-N -1 3 314.410 4.074 50 0 DIAAHM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c([O-])c1 ZINC000008972974 563951719 /nfs/dbraw/zinc/95/17/19/563951719.db2.gz UIXKXYGHZOJILO-UHFFFAOYSA-N -1 3 324.380 4.165 50 0 DIAAHM O=C([N-]c1nc(-c2cccc3ccccc32)cs1)c1ccno1 ZINC000010253871 563958390 /nfs/dbraw/zinc/95/83/90/563958390.db2.gz CDYWZNVXXOIJOT-UHFFFAOYSA-N -1 3 321.361 4.204 50 0 DIAAHM Cc1nc(C(=O)Nc2cc(Cl)ccc2[O-])c(C(C)C)s1 ZINC000072402182 191151299 /nfs/dbraw/zinc/15/12/99/191151299.db2.gz WSOIUUMJXRJOJX-UHFFFAOYSA-N -1 3 310.806 4.186 50 0 DIAAHM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004660755 181133454 /nfs/dbraw/zinc/13/34/54/181133454.db2.gz SKXMTVZOFRJIFN-AWEZNQCLSA-N -1 3 303.427 4.309 50 0 DIAAHM COc1ccc(C)cc1CSc1n[n-]c(-c2cccs2)n1 ZINC000005315747 181228703 /nfs/dbraw/zinc/22/87/03/181228703.db2.gz OIBYDIXZOSTJJC-UHFFFAOYSA-N -1 3 317.439 4.143 50 0 DIAAHM O=C1C(Cl)C(Nc2ccccc2)=C([O-])N1c1ccccc1 ZINC000005593430 181261714 /nfs/dbraw/zinc/26/17/14/181261714.db2.gz PIPSRUOSMZQDNF-UHFFFAOYSA-N -1 3 300.745 4.286 50 0 DIAAHM CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc([O-])cc1 ZINC000006356734 181333608 /nfs/dbraw/zinc/33/36/08/181333608.db2.gz ZHSLPLLHBMGXFG-HNENSFHCSA-N -1 3 310.422 4.483 50 0 DIAAHM O=c1c(-c2ccccc2)c([O-])c2c(n1-c1ccccc1)CCCC2 ZINC000006557694 181355289 /nfs/dbraw/zinc/35/52/89/181355289.db2.gz NQTBPAHDTQHICD-UHFFFAOYSA-N -1 3 317.388 4.089 50 0 DIAAHM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1cc(F)ccc1F ZINC000006627855 181363159 /nfs/dbraw/zinc/36/31/59/181363159.db2.gz RMRXJZMWQDTNGD-UHFFFAOYSA-N -1 3 314.291 4.181 50 0 DIAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 ZINC000023597799 182363994 /nfs/dbraw/zinc/36/39/94/182363994.db2.gz FSDUSSQOLBJUSC-UHFFFAOYSA-N -1 3 311.425 4.270 50 0 DIAAHM Cc1c(-c2ccccc2)sc2[n-]c(-c3ccccn3)nc(=O)c12 ZINC000046703644 183566608 /nfs/dbraw/zinc/56/66/08/183566608.db2.gz FMMGEWSZPJRKAN-UHFFFAOYSA-N -1 3 319.389 4.022 50 0 DIAAHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000007053054 331500715 /nfs/dbraw/zinc/50/07/15/331500715.db2.gz RYAXOCIHOXYIMZ-UHFFFAOYSA-N -1 3 303.427 4.057 50 0 DIAAHM CC(C)CCN(Cn1nc(-c2cccs2)[n-]c1=S)C1CC1 ZINC000048344351 563697004 /nfs/dbraw/zinc/69/70/04/563697004.db2.gz NPPUMBMKSOBIRY-UHFFFAOYSA-N -1 3 322.503 4.137 50 0 DIAAHM CCOC(=O)[N-]C(=S)Nc1ccc(C(C)(C)C)cc1Cl ZINC000000076118 563213943 /nfs/dbraw/zinc/21/39/43/563213943.db2.gz DUNCNFWTVDBHEO-UHFFFAOYSA-N -1 3 314.838 4.080 50 0 DIAAHM CC(C)(C)c1cc(Br)cc(Br)c1[O-] ZINC000000120455 563219747 /nfs/dbraw/zinc/21/97/47/563219747.db2.gz KSURDFVRHGKTAA-UHFFFAOYSA-N -1 3 308.013 4.215 50 0 DIAAHM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000409036 563252098 /nfs/dbraw/zinc/25/20/98/563252098.db2.gz XKYFURZKKYOSNE-AWEZNQCLSA-N -1 3 303.427 4.309 50 0 DIAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000000479507 563262416 /nfs/dbraw/zinc/26/24/16/563262416.db2.gz FWXNEABOUHAYNA-UHFFFAOYSA-N -1 3 319.426 4.010 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)cc1 ZINC000000572696 563268001 /nfs/dbraw/zinc/26/80/01/563268001.db2.gz VOJVNWBUZFVCEJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/61/57/38/563615738.db2.gz VRBPOQSZKMYRMX-ZDUSSCGKSA-N -1 3 315.417 4.092 50 0 DIAAHM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000102442 563627783 /nfs/dbraw/zinc/62/77/83/563627783.db2.gz RXILIQBCXSGEDQ-LBPRGKRZSA-N -1 3 307.390 4.140 50 0 DIAAHM O=C([N-]c1nc2ccccc2s1)c1cc(-c2ccccc2)on1 ZINC000012896959 563852759 /nfs/dbraw/zinc/85/27/59/563852759.db2.gz JVMAWBSJKRHNNC-UHFFFAOYSA-N -1 3 321.361 4.204 50 0 DIAAHM [O-]c1cc(C2N=NC(=S)N2c2ccccc2)cc2ccccc12 ZINC000075251736 563861775 /nfs/dbraw/zinc/86/17/75/563861775.db2.gz HDXOAPZNCHSZQK-UHFFFAOYSA-N -1 3 319.389 4.082 50 0 DIAAHM COc1ccc2occ(C(=O)c3coc4ccc([O-])cc34)c2c1 ZINC000075286670 563862679 /nfs/dbraw/zinc/86/26/79/563862679.db2.gz UNKYEMLRWARCEE-UHFFFAOYSA-N -1 3 308.289 4.124 50 0 DIAAHM CCCCCc1cc([O-])cc(O)c1C(=O)OCc1ccccc1 ZINC000196327859 563920255 /nfs/dbraw/zinc/92/02/55/563920255.db2.gz FURJJYWNPJDYDH-UHFFFAOYSA-N -1 3 314.381 4.188 50 0 DIAAHM CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc([O-])cc3)n2)c1C ZINC000008297563 563947669 /nfs/dbraw/zinc/94/76/69/563947669.db2.gz WCECKXLOKQUCKD-UHFFFAOYSA-N -1 3 312.394 4.330 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 ZINC000008428222 563948594 /nfs/dbraw/zinc/94/85/94/563948594.db2.gz AVSIQTLVAZSVQB-UHFFFAOYSA-N -1 3 316.209 4.103 50 0 DIAAHM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccc(F)cc1F ZINC000009502817 563956332 /nfs/dbraw/zinc/95/63/32/563956332.db2.gz ZMCBPNUQOWPXLM-UHFFFAOYSA-N -1 3 323.368 4.116 50 0 DIAAHM CC(C)c1ccc(-c2csc([N-]C(=O)c3ccno3)n2)cc1 ZINC000010253853 563958299 /nfs/dbraw/zinc/95/82/99/563958299.db2.gz IAXYTLSVBKBSFR-UHFFFAOYSA-N -1 3 313.382 4.174 50 0 DIAAHM CC(C)c1nc(CSc2n[n-]c(-c3cccs3)n2)cs1 ZINC000071846649 191031841 /nfs/dbraw/zinc/03/18/41/191031841.db2.gz GXUBXQQHFLZWOQ-UHFFFAOYSA-N -1 3 322.484 4.405 50 0 DIAAHM [O-]c1cccc2ccc(/C=C/c3ccc(Br)o3)nc12 ZINC000004302852 181095122 /nfs/dbraw/zinc/09/51/22/181095122.db2.gz RRYICKYBPXYLCQ-VOTSOKGWSA-N -1 3 316.154 4.466 50 0 DIAAHM CCc1cc(-c2n[nH]cc2Oc2ccccc2)c([O-])cc1OC ZINC000004755678 181148841 /nfs/dbraw/zinc/14/88/41/181148841.db2.gz MTAYLTFKZUXGCQ-UHFFFAOYSA-N -1 3 310.353 4.146 50 0 DIAAHM CC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000004988535 181186093 /nfs/dbraw/zinc/18/60/93/181186093.db2.gz QQRMGUJAOCQHRL-UHFFFAOYSA-N -1 3 316.744 4.121 50 0 DIAAHM Cc1noc(-c2ccc(O)cc2[O-])c1-c1ccc(Cl)cc1 ZINC000005354291 181233639 /nfs/dbraw/zinc/23/36/39/181233639.db2.gz VEWLCVCFFUWPRU-UHFFFAOYSA-N -1 3 301.729 4.382 50 0 DIAAHM COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2[O-])cc1 ZINC000005426865 181242348 /nfs/dbraw/zinc/24/23/48/181242348.db2.gz TYDIYNFIYQIRCQ-UHFFFAOYSA-N -1 3 311.337 4.040 50 0 DIAAHM O=c1cc(CSc2c(Cl)cccc2Cl)[nH]c(=S)[n-]1 ZINC000005626207 181265198 /nfs/dbraw/zinc/26/51/98/181265198.db2.gz QWPLJEDFPFRPGF-UHFFFAOYSA-N -1 3 319.238 4.032 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)c(C)c1 ZINC000006559126 181354971 /nfs/dbraw/zinc/35/49/71/181354971.db2.gz AOYQZCXRZAXZTE-UHFFFAOYSA-N -1 3 309.818 4.066 50 0 DIAAHM O=c1[n-]c(=S)[nH]c2c1[C@@H](C1CCCCC1)Cc1ccccc1-2 ZINC000017835699 182086303 /nfs/dbraw/zinc/08/63/03/182086303.db2.gz XLXBITNIOOSXGN-CQSZACIVSA-N -1 3 312.438 4.319 50 0 DIAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2cccc(F)c2)no1 ZINC000036390845 182822966 /nfs/dbraw/zinc/82/29/66/182822966.db2.gz TVSWQMNISZGILP-UHFFFAOYSA-N -1 3 318.254 4.011 50 0 DIAAHM Cc1ccc(Cl)cc1Nc1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000036077496 182795200 /nfs/dbraw/zinc/79/52/00/182795200.db2.gz ZGBYWTBGSDVZIC-UHFFFAOYSA-N -1 3 311.772 4.142 50 0 DIAAHM O=C(NCC1CCC1)c1ccc(-c2cc(Cl)ccc2[O-])cc1 ZINC000426428298 257250460 /nfs/dbraw/zinc/25/04/60/257250460.db2.gz SJWBMTIKAPOLBZ-UHFFFAOYSA-N -1 3 315.800 4.243 50 0 DIAAHM CCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000007053359 331500832 /nfs/dbraw/zinc/50/08/32/331500832.db2.gz YPXNNMYQIHLKAB-UHFFFAOYSA-N -1 3 317.454 4.365 50 0 DIAAHM CC(C)c1ccc(C(=O)N2CCC=C(c3ccco3)C2)c([O-])c1 ZINC000332377412 336170374 /nfs/dbraw/zinc/17/03/74/336170374.db2.gz 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QDXBGCQLGRHEFV-UHFFFAOYSA-N -1 3 319.426 4.056 50 0 DIAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccc(F)cc2)no1 ZINC000006872448 563334799 /nfs/dbraw/zinc/33/47/99/563334799.db2.gz ALAGLNWXTQUCRR-UHFFFAOYSA-N -1 3 318.254 4.011 50 0 DIAAHM O=C([N-]c1ccc(F)cc1F)c1cc(-c2ccccc2F)no1 ZINC000006872773 563334809 /nfs/dbraw/zinc/33/48/09/563334809.db2.gz PKMIBDXMANJZNT-UHFFFAOYSA-N -1 3 318.254 4.011 50 0 DIAAHM Cc1cc(CSc2nnc([N-]c3ccccc3F)s2)on1 ZINC000014187942 563397797 /nfs/dbraw/zinc/39/77/97/563397797.db2.gz HYBHGARSINZWDA-UHFFFAOYSA-N -1 3 322.390 4.010 50 0 DIAAHM CCOc1ccc(-c2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000014226836 563398975 /nfs/dbraw/zinc/39/89/75/563398975.db2.gz FJPBQFMDHBYHAH-UHFFFAOYSA-N -1 3 313.378 4.287 50 0 DIAAHM COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc32)c1[O-] ZINC000014117756 563427457 /nfs/dbraw/zinc/42/74/57/563427457.db2.gz ZIXIYGXSWRIVJI-CYBMUJFWSA-N -1 3 321.376 4.045 50 0 DIAAHM COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)c1 ZINC000071288071 563445778 /nfs/dbraw/zinc/44/57/78/563445778.db2.gz WPAAMJZVTAQTJU-AWEZNQCLSA-N -1 3 317.414 4.064 50 0 DIAAHM CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(Nc2cccc(C)c2)[N-]C1=O ZINC000033883009 563615844 /nfs/dbraw/zinc/61/58/44/563615844.db2.gz VRBPOQSZKMYRMX-CYBMUJFWSA-N -1 3 315.417 4.092 50 0 DIAAHM O=C(Nc1ccccc1[O-])c1ccc(C2SCCS2)cc1 ZINC000044891929 563686233 /nfs/dbraw/zinc/68/62/33/563686233.db2.gz MQDMKNIKDBONTK-UHFFFAOYSA-N -1 3 317.435 4.123 50 0 DIAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000045068982 563847903 /nfs/dbraw/zinc/84/79/03/563847903.db2.gz JWBUOTSOIIUXPP-UHFFFAOYSA-N -1 3 317.454 4.338 50 0 DIAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(Cl)c1 ZINC000007403953 563906250 /nfs/dbraw/zinc/90/62/50/563906250.db2.gz LEEJOGSRFVHLAS-UHFFFAOYSA-N -1 3 316.209 4.103 50 0 DIAAHM Cc1csc(SCc2ccc([O-])c3nc(C)ccc23)n1 ZINC000170612998 563908076 /nfs/dbraw/zinc/90/80/76/563908076.db2.gz KTJJKHBDLUZTIT-UHFFFAOYSA-N -1 3 302.424 4.306 50 0 DIAAHM CCn1c(C)nc2cc(-c3nnc([N-]c4ccccc4)o3)ccc21 ZINC000007778862 563919075 /nfs/dbraw/zinc/91/90/75/563919075.db2.gz GARWYCIEUZIZQF-UHFFFAOYSA-N -1 3 319.368 4.158 50 0 DIAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-c2cccs2)on1 ZINC000002465652 563938140 /nfs/dbraw/zinc/93/81/40/563938140.db2.gz BUPBLRDHZNOXEC-UHFFFAOYSA-N -1 3 320.757 4.014 50 0 DIAAHM O=C([N-]c1nc(-c2ccc3ccccc3c2)cs1)c1ccno1 ZINC000010253874 563958305 /nfs/dbraw/zinc/95/83/05/563958305.db2.gz JOQZMODHDRXZIQ-UHFFFAOYSA-N -1 3 321.361 4.204 50 0 DIAAHM