smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]1CCCC[C@@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000083328478 185222152 /nfs/dbraw/zinc/22/21/52/185222152.db2.gz ZPIWCRNJAWHXTF-MFKMUULPSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])c1ccccc1-c1cc(NC2CCCC2)nc2[nH]ccc21 ZINC000072134627 191046078 /nfs/dbraw/zinc/04/60/78/191046078.db2.gz TWQPNDIYLXEYGG-UHFFFAOYSA-N -1 0 321.380 4.283 50 0 DIAARM CCCCCC[C@@H](O)C[C@@H]1O[C@@H]1CCCCCCCC(=O)[O-] ZINC000146757491 186038234 /nfs/dbraw/zinc/03/82/34/186038234.db2.gz YKVUWOJSBYPADP-ZACQAIPSSA-N -1 0 314.466 4.291 50 0 biogenic DIAARM CC[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000000409674 180779077 /nfs/dbraw/zinc/77/90/77/180779077.db2.gz UOFZNTZCBKYMPM-CXAGYDPISA-N -1 0 312.365 4.124 50 0 DIAARM Cc1cccc(C(=O)C[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000001397638 180860853 /nfs/dbraw/zinc/86/08/53/180860853.db2.gz PNDWBSYOPKLAGA-OAHLLOKOSA-N -1 0 302.757 4.090 50 0 DIAARM Cc1ccccc1NC(=O)C[C@H](C)[C@@H](CCC(C)C)C(=O)[O-] ZINC000002306686 180919208 /nfs/dbraw/zinc/91/92/08/180919208.db2.gz BIVPKPIKICYZDK-LSDHHAIUSA-N -1 0 305.418 4.097 50 0 DIAARM Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)[O-])n2C ZINC000002448359 180924471 /nfs/dbraw/zinc/92/44/71/180924471.db2.gz RFNMMSVHBUVLOM-UHFFFAOYSA-N -1 0 311.406 4.265 50 0 DIAARM O=C([O-])CC1(CC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000003264370 180998309 /nfs/dbraw/zinc/99/83/09/180998309.db2.gz JFDPVSSDCYRFAN-UHFFFAOYSA-N -1 0 309.793 4.094 50 0 DIAARM Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)[O-])cc1 ZINC000003886266 181052998 /nfs/dbraw/zinc/05/29/98/181052998.db2.gz HCQYKZYXBSVPCE-UHFFFAOYSA-N -1 0 309.390 4.413 50 0 DIAARM O=C([O-])CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000004123691 181076779 /nfs/dbraw/zinc/07/67/79/181076779.db2.gz JUDBPWPPVSRQPK-UHFFFAOYSA-N -1 0 324.405 4.311 50 0 DIAARM CC(C)n1c(=O)c2c(-c3ccccc3)csc2[n-]c1=S ZINC000004219020 181085309 /nfs/dbraw/zinc/08/53/09/181085309.db2.gz ZQSOZDIRAREZJY-UHFFFAOYSA-N -1 0 302.424 4.368 50 0 DIAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000004651536 181132146 /nfs/dbraw/zinc/13/21/46/181132146.db2.gz CUMYYBACRQOPSC-DLBZAZTESA-N -1 0 315.413 4.196 50 0 DIAARM CCCCOC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000004694997 181137922 /nfs/dbraw/zinc/13/79/22/181137922.db2.gz APBUFHWJHKAOAR-UHFFFAOYSA-N -1 0 323.443 4.179 50 0 DIAARM CC(C)COC(=O)N=c1[n-]nc(SCc2ccccc2)s1 ZINC000004694998 181137718 /nfs/dbraw/zinc/13/77/18/181137718.db2.gz BCLFXLRQCBVOEQ-UHFFFAOYSA-N -1 0 323.443 4.035 50 0 DIAARM CC[C@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC000005049177 181196905 /nfs/dbraw/zinc/19/69/05/181196905.db2.gz AMOJGQSGQIGTQR-ZDUSSCGKSA-N -1 0 317.772 4.171 50 0 DIAARM CC[C@@H](C(=O)Nc1ccc(Cl)cc1C(=O)[O-])c1ccccc1 ZINC000005049178 181196973 /nfs/dbraw/zinc/19/69/73/181196973.db2.gz AMOJGQSGQIGTQR-CYBMUJFWSA-N -1 0 317.772 4.171 50 0 DIAARM O=C([O-])C/C(=C\c1cccs1)c1nc2ccccc2s1 ZINC000005130955 181207824 /nfs/dbraw/zinc/20/78/24/181207824.db2.gz BBVICNPEUOJULO-CSKARUKUSA-N -1 0 301.392 4.373 50 0 DIAARM COc1cccc2c1ncc(C(=O)[O-])c2N[C@H](C)c1ccccc1 ZINC000005610147 181263551 /nfs/dbraw/zinc/26/35/51/181263551.db2.gz OFTGVWHMBBCTCO-GFCCVEGCSA-N -1 0 322.364 4.115 50 0 DIAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2ccc(F)cc2)n1 ZINC000005680045 181271497 /nfs/dbraw/zinc/27/14/97/181271497.db2.gz MKBNMFTYHIRBDQ-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM O=c1c(Oc2ccc3ccccc3c2)coc2cc([O-])ccc12 ZINC000005731773 181278460 /nfs/dbraw/zinc/27/84/60/181278460.db2.gz SNUDMLXHADUYIX-UHFFFAOYSA-N -1 0 304.301 4.444 50 0 biogenic DIAARM O=C([O-])[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006241774 181321915 /nfs/dbraw/zinc/32/19/15/181321915.db2.gz LKYIHPPZXXNCHJ-CQSZACIVSA-N -1 0 307.176 4.384 50 0 DIAARM Cc1nn(-c2ccccc2)c2sc(-c3n[n-]c(=S)o3)cc12 ZINC000006498222 181346669 /nfs/dbraw/zinc/34/66/69/181346669.db2.gz YNKDEHKXKOAEBW-UHFFFAOYSA-N -1 0 314.395 4.108 50 0 DIAARM S=c1[n-]nc(Cc2nc3ccccc3s2)n1-c1ccccc1 ZINC000006534214 181352041 /nfs/dbraw/zinc/35/20/41/181352041.db2.gz MBWQEAAWPISIPG-UHFFFAOYSA-N -1 0 324.434 4.130 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)c(C)cc3n2)cc1 ZINC000012941654 181814523 /nfs/dbraw/zinc/81/45/23/181814523.db2.gz HMVCRMXSSQCCKC-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM CC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000013007168 181821721 /nfs/dbraw/zinc/82/17/21/181821721.db2.gz IVYGVBHZYZPUOA-UHFFFAOYSA-N -1 0 305.333 4.000 50 0 DIAARM Cc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000015017248 181983239 /nfs/dbraw/zinc/98/32/39/181983239.db2.gz JCHUHWDWNBNPHH-SNRMKQJTSA-N -1 0 323.392 4.328 50 0 DIAARM [O-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1Br ZINC000015442330 182002254 /nfs/dbraw/zinc/00/22/54/182002254.db2.gz VVNRKEGWEHWYQJ-UHFFFAOYSA-N -1 0 309.003 4.192 50 0 DIAARM Cc1cc2c([n-]c(=S)n(CCC3=CCCCC3)c2=O)s1 ZINC000017031409 182069467 /nfs/dbraw/zinc/06/94/67/182069467.db2.gz NFSQREATTFDNPI-UHFFFAOYSA-N -1 0 306.456 4.320 50 0 DIAARM CCc1cc2c([n-]c(=S)n(Cc3ccc(C)cc3)c2=O)s1 ZINC000017054055 182072304 /nfs/dbraw/zinc/07/23/04/182072304.db2.gz CQQWPWMVCNTJQW-UHFFFAOYSA-N -1 0 316.451 4.040 50 0 DIAARM Cc1cc2c([n-]c(=S)n(Cc3ccc(Cl)cc3)c2=O)s1 ZINC000017056346 182073339 /nfs/dbraw/zinc/07/33/39/182073339.db2.gz OFWRLDFAHFMIJY-UHFFFAOYSA-N -1 0 322.842 4.131 50 0 DIAARM CCCCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C)CC3 ZINC000017056310 182073477 /nfs/dbraw/zinc/07/34/77/182073477.db2.gz YSXYXLRHWZNLBM-SNVBAGLBSA-N -1 0 322.499 4.436 50 0 DIAARM Cc1ccc2c(c1)oc(-c1ccccc1)c/c2=N\CCCC(=O)[O-] ZINC000019793966 182150017 /nfs/dbraw/zinc/15/00/17/182150017.db2.gz VYRZDWDBCRPCGP-HEHNFIMWSA-N -1 0 321.376 4.174 50 0 DIAARM Cc1cc2oc(-c3ccccc3)c/c(=N\CCC(=O)[O-])c2cc1C ZINC000019793965 182150223 /nfs/dbraw/zinc/15/02/23/182150223.db2.gz KWNSEGQLDCZXAW-HEHNFIMWSA-N -1 0 321.376 4.092 50 0 DIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(Cl)cc3)c2c1 ZINC000021657789 182282987 /nfs/dbraw/zinc/28/29/87/182282987.db2.gz AVVLNNYJILXBGH-UHFFFAOYSA-N -1 0 312.756 4.060 50 0 DIAARM O=C(Nc1nc2c(s1)CCCCC2)c1ccc([O-])c(Cl)c1 ZINC000022374760 182320236 /nfs/dbraw/zinc/32/02/36/182320236.db2.gz XWMHQTNIXZJKAK-UHFFFAOYSA-N -1 0 322.817 4.023 50 0 DIAARM Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360516 182772060 /nfs/dbraw/zinc/77/20/60/182772060.db2.gz JCHUHWDWNBNPHH-AYOQOUSVSA-N -1 0 323.392 4.328 50 0 DIAARM CC(C)(C)OC(=O)Nc1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000040449471 183068352 /nfs/dbraw/zinc/06/83/52/183068352.db2.gz LDFRDLKJPCOLHU-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000040449478 183068497 /nfs/dbraw/zinc/06/84/97/183068497.db2.gz MPYIQVSAEHFQHB-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM O=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(F)c1 ZINC000043578261 183372751 /nfs/dbraw/zinc/37/27/51/183372751.db2.gz PFHLHRKORORKAB-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM O=C([O-])c1cc(-c2cc(F)cc(F)c2)cc(C(F)(F)F)c1 ZINC000065350404 184326421 /nfs/dbraw/zinc/32/64/21/184326421.db2.gz CDMSKBIJHRCOGS-UHFFFAOYSA-N -1 0 302.198 4.349 50 0 DIAARM O=C([O-])c1ccnc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000065349133 184326427 /nfs/dbraw/zinc/32/64/27/184326427.db2.gz JYSKMUWENPZAGE-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2ccccc2C(F)(F)F)C1 ZINC000091676181 257137499 /nfs/dbraw/zinc/13/74/99/257137499.db2.gz GQXBAYXYFBWKJZ-MNOVXSKESA-N -1 0 314.303 4.169 50 0 DIAARM Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)c(C(=O)[O-])c1 ZINC000020554806 331588268 /nfs/dbraw/zinc/58/82/68/331588268.db2.gz CQLFXJJLTURHEW-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM COc1cc2cc(C(=O)[O-])cc(-c3ccccc3)c2cc1OC ZINC000026467166 523057777 /nfs/dbraw/zinc/05/77/77/523057777.db2.gz HGXPHANAXRNKGN-UHFFFAOYSA-N -1 0 308.333 4.222 50 0 DIAARM CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000112933 563627603 /nfs/dbraw/zinc/62/76/03/563627603.db2.gz CKLOAMOCQBBAHV-UHFFFAOYSA-N -1 0 300.402 4.166 50 0 DIAARM C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000000034072 563211290 /nfs/dbraw/zinc/21/12/90/563211290.db2.gz MFJVYXLNZAGCGM-LBPRGKRZSA-N -1 0 324.405 4.309 50 0 DIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1Oc1ccccc1 ZINC000000042148 563211587 /nfs/dbraw/zinc/21/15/87/563211587.db2.gz FDXSCZFRCZEOGP-UHFFFAOYSA-N -1 0 322.238 4.310 50 0 DIAARM Cc1ccc(S[C@@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000044418 563211662 /nfs/dbraw/zinc/21/16/62/563211662.db2.gz IEIVEWHOYWOARU-KRWDZBQOSA-N -1 0 314.406 4.122 50 0 DIAARM O=C([O-])c1cccc(Nc2nc(-c3cccs3)cs2)c1 ZINC000000088097 563215104 /nfs/dbraw/zinc/21/51/04/563215104.db2.gz KFKBKYMILRZNTL-UHFFFAOYSA-N -1 0 302.380 4.313 50 0 DIAARM O=c1[nH]c2c(Cl)c(Cl)ccc2c([O-])c1-c1ccccc1 ZINC000000087429 563215161 /nfs/dbraw/zinc/21/51/61/563215161.db2.gz FBCPIPFPVLTJCV-UHFFFAOYSA-N -1 0 306.148 4.208 50 0 DIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000000190611 563229097 /nfs/dbraw/zinc/22/90/97/563229097.db2.gz HMIZBFXFFBXNEB-DHZHZOJOSA-N -1 0 324.767 4.291 50 0 DIAARM CC[C@@H](c1ccccc1)[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000390815 563249328 /nfs/dbraw/zinc/24/93/28/563249328.db2.gz DDGVQXSIAHQHDZ-DZGCQCFKSA-N -1 0 312.365 4.124 50 0 DIAARM CC[C@H](c1ccccc1)[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000390816 563250041 /nfs/dbraw/zinc/25/00/41/563250041.db2.gz DDGVQXSIAHQHDZ-ZFWWWQNUSA-N -1 0 312.365 4.124 50 0 DIAARM CC(C)(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000399630 563251251 /nfs/dbraw/zinc/25/12/51/563251251.db2.gz UPWSUJLPHMLCFF-INIZCTEOSA-N -1 0 312.365 4.329 50 0 DIAARM Cc1cccc(Sc2nc(-c3ccccc3)ncc2C(=O)[O-])c1 ZINC000001386401 563281356 /nfs/dbraw/zinc/28/13/56/563281356.db2.gz XNZKRLFCDSILPP-UHFFFAOYSA-N -1 0 322.389 4.301 50 0 DIAARM CCC[C@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000002195375 563301554 /nfs/dbraw/zinc/30/15/54/563301554.db2.gz ZCHSAWPSSWERHA-SECBINFHSA-N -1 0 318.200 4.213 50 0 DIAARM Cc1cccc(C)c1NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000002544689 563308499 /nfs/dbraw/zinc/30/84/99/563308499.db2.gz KEDMRUIDPNWSDT-UHFFFAOYSA-N -1 0 310.426 4.159 50 0 DIAARM CCCCCCOc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579994 563309796 /nfs/dbraw/zinc/30/97/96/563309796.db2.gz GQEAOKMHCOWRNY-UHFFFAOYSA-N -1 0 306.402 4.473 50 0 DIAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000008254670 563345399 /nfs/dbraw/zinc/34/53/99/563345399.db2.gz SUYBJCRUPCWYRM-UHFFFAOYSA-N -1 0 306.745 4.016 50 0 DIAARM C[C@@H](n1cc(C(=O)[O-])c(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000008699891 563349393 /nfs/dbraw/zinc/34/93/93/563349393.db2.gz HXHNSADNTAWFQS-SSDOTTSWSA-N -1 0 318.682 4.025 50 0 DIAARM CC(C)CC(=O)Nc1ccccc1Oc1ccsc1C(=O)[O-] ZINC000012856269 563374407 /nfs/dbraw/zinc/37/44/07/563374407.db2.gz GQPUFOUCLXAQOI-UHFFFAOYSA-N -1 0 319.382 4.223 50 0 DIAARM O=C([O-])c1cccnc1Sc1cc(Cl)ccc1Cl ZINC000013091012 563377096 /nfs/dbraw/zinc/37/70/96/563377096.db2.gz TYEMHXCHVTYDMB-UHFFFAOYSA-N -1 0 300.166 4.238 50 0 DIAARM CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000015018087 563406310 /nfs/dbraw/zinc/40/63/10/563406310.db2.gz QPVRJALHVJBAIW-SNRMKQJTSA-N -1 0 323.392 4.192 50 0 DIAARM Cc1cccc(-n2c(CNc3ccccc3)n[n-]c2=S)c1C ZINC000026439347 563426004 /nfs/dbraw/zinc/42/60/04/563426004.db2.gz DPJMEQUYQKZWLD-UHFFFAOYSA-N -1 0 310.426 4.159 50 0 DIAARM [O-]c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1Cl ZINC000097212432 563512935 /nfs/dbraw/zinc/51/29/35/563512935.db2.gz FRANNDGPBRXYHR-UHFFFAOYSA-N -1 0 308.671 4.041 50 0 DIAARM CCC[C@@H](CC1(C(=O)[O-])CCCC1)C(=O)OCc1ccccc1 ZINC000096179493 563535682 /nfs/dbraw/zinc/53/56/82/563535682.db2.gz PQKUDTSQPVEIQW-INIZCTEOSA-N -1 0 318.413 4.181 50 0 DIAARM CCCCc1c([O-])c2cccc3c4c(n(c32)c1=O)CC[C@@H](C)C4 ZINC000100294475 563549056 /nfs/dbraw/zinc/54/90/56/563549056.db2.gz BAMOSLXACRGYPO-GFCCVEGCSA-N -1 0 309.409 4.064 50 0 DIAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000100449349 563550984 /nfs/dbraw/zinc/55/09/84/563550984.db2.gz YFQPCWHDWXMIFZ-XYPYZODXSA-N -1 0 314.303 4.169 50 0 DIAARM CC(C)COC(=O)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000000311342 563587374 /nfs/dbraw/zinc/58/73/74/563587374.db2.gz LEGVLCGLWWHCKI-UHFFFAOYSA-N -1 0 311.794 4.063 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000448821 563615042 /nfs/dbraw/zinc/61/50/42/563615042.db2.gz CGJKOWLPAZYPHW-ZWKOTPCHSA-N -1 0 323.392 4.183 50 0 DIAARM Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3O)[nH]c1=S)O2 ZINC000585148596 563637606 /nfs/dbraw/zinc/63/76/06/563637606.db2.gz SFYWLWVYYQTFRT-UHFFFAOYSA-N -1 0 322.389 4.143 50 0 DIAARM Cc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000102621611 563661237 /nfs/dbraw/zinc/66/12/37/563661237.db2.gz UDLJMOTYNCNAEH-UHFFFAOYSA-N -1 0 315.376 4.001 50 0 DIAARM Cc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000219242369 563718494 /nfs/dbraw/zinc/71/84/94/563718494.db2.gz JCHUHWDWNBNPHH-ATZDWAIDSA-N -1 0 323.392 4.328 50 0 DIAARM Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000222361462 563725268 /nfs/dbraw/zinc/72/52/68/563725268.db2.gz JCHUHWDWNBNPHH-KFKAGJAMSA-N -1 0 323.392 4.328 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccccc1-c1ccc(C(=O)[O-])cc1 ZINC000040449467 563758029 /nfs/dbraw/zinc/75/80/29/563758029.db2.gz JXQNONOTKARTIG-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM Cc1cccc(N[C@H](c2ccc(C(C)C)cc2)[P@@](=O)([O-])O)c1 ZINC000012526546 563797435 /nfs/dbraw/zinc/79/74/35/563797435.db2.gz XNJSPVRQWUYJHT-KRWDZBQOSA-N -1 0 319.341 4.407 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 ZINC000575409818 563855955 /nfs/dbraw/zinc/85/59/55/563855955.db2.gz XJHVLONLGXPFII-UHFFFAOYSA-N -1 0 316.662 4.430 50 0 DIAARM O=c1nc(CSc2ccc3ccccc3c2)[n-]c2ccsc21 ZINC000010439937 563868636 /nfs/dbraw/zinc/86/86/36/563868636.db2.gz RRRKRGKPBHEPID-UHFFFAOYSA-N -1 0 324.430 4.430 50 0 DIAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccc2ccccc2n1 ZINC000006369924 563872977 /nfs/dbraw/zinc/87/29/77/563872977.db2.gz FLQGICMXSMRQBD-UHFFFAOYSA-N -1 0 303.317 4.022 50 0 DIAARM Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(F)cc2C)c1C ZINC000007381943 563905688 /nfs/dbraw/zinc/90/56/88/563905688.db2.gz WTKGJUQLLNMRPT-UHFFFAOYSA-N -1 0 321.417 4.169 50 0 DIAARM C[Si](C)(C)[C@@H]1[C@@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1 ZINC000169828940 563908933 /nfs/dbraw/zinc/90/89/33/563908933.db2.gz WQBLOXHZIPKHPI-DLBZAZTESA-N -1 0 310.469 4.396 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1cccnc1 ZINC000007586876 563913967 /nfs/dbraw/zinc/91/39/67/563913967.db2.gz DLNJXWGINCOZGW-SDNWHVSQSA-N -1 0 316.360 4.205 50 0 DIAARM O=C1CCCCC1=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000101361203 563915793 /nfs/dbraw/zinc/91/57/93/563915793.db2.gz JYSNUUODTFTCJB-SFHVURJKSA-N -1 0 308.377 4.208 50 0 DIAARM CCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002323861 563926134 /nfs/dbraw/zinc/92/61/34/563926134.db2.gz BZTSMNIIIDBIHN-VXGBXAGGSA-N -1 0 311.809 4.196 50 0 DIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000012605812 563928841 /nfs/dbraw/zinc/92/88/41/563928841.db2.gz SGEQASDUFSCGGD-CYBMUJFWSA-N -1 0 319.426 4.010 50 0 DIAARM CSc1ccc(CN(C)C(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000007986181 563945993 /nfs/dbraw/zinc/94/59/93/563945993.db2.gz XSVCIBACWCHKPM-UHFFFAOYSA-N -1 0 321.829 4.040 50 0 DIAARM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c(Cl)c1 ZINC000008919966 563951524 /nfs/dbraw/zinc/95/15/24/563951524.db2.gz MKFSMYPFESBTGR-UHFFFAOYSA-N -1 0 323.820 4.321 50 0 DIAARM Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000000354403 568415696 /nfs/dbraw/zinc/41/56/96/568415696.db2.gz BSRWGIGDRFNTCQ-UHFFFAOYSA-N -1 0 303.427 4.093 50 0 DIAARM CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)[O-] ZINC000003095564 1039942853 /nfs/dbraw/zinc/94/28/53/1039942853.db2.gz JCITXZGUNCWKFZ-UHFFFAOYSA-N -1 0 305.418 4.207 50 0 DIAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc([O-])c(Cl)c1Cl ZINC000000228084 1047311296 /nfs/dbraw/zinc/31/12/96/1047311296.db2.gz XZABTEQGIPYGCG-NSHDSACASA-N -1 0 311.164 4.306 50 0 DIAARM O=C([O-])CCC/C(=C\c1cccnc1)c1nc2ccccc2s1 ZINC000007039591 1048580385 /nfs/dbraw/zinc/58/03/85/1048580385.db2.gz ZZXAJWKJEWIGQC-SDNWHVSQSA-N -1 0 324.405 4.487 50 0 DIAARM Cc1c([O-])c(-c2ccno2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000032608323 1052493487 /nfs/dbraw/zinc/49/34/87/1052493487.db2.gz FCPRSJUJBVNJFX-UHFFFAOYSA-N -1 0 319.316 4.129 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002579653 1055973420 /nfs/dbraw/zinc/97/34/20/1055973420.db2.gz XQKZBVGBIMPIMD-AAEUAGOBSA-N -1 0 314.303 4.169 50 0 DIAARM CC(C)c1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2[nH]1 ZINC000005817471 1056055982 /nfs/dbraw/zinc/05/59/82/1056055982.db2.gz XRKAGUDTKPCCOD-UHFFFAOYSA-N -1 0 320.348 4.165 50 0 biogenic DIAARM COc1cccc2cc(C(=O)/C=C\c3ccc(C(=O)[O-])cc3)oc21 ZINC000096765885 185386672 /nfs/dbraw/zinc/38/66/72/185386672.db2.gz GORWWIAJQAIENF-YFHOEESVSA-N -1 0 322.316 4.036 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])cc(-c3ccc(F)cc3)n2)cc1 ZINC000328579164 231230638 /nfs/dbraw/zinc/23/06/38/231230638.db2.gz XJOBZZDXDLFUMV-UHFFFAOYSA-N -1 0 323.323 4.262 50 0 DIAARM CC[C@H](OC(=O)c1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000000409673 180779357 /nfs/dbraw/zinc/77/93/57/180779357.db2.gz UOFZNTZCBKYMPM-DYVFJYSZSA-N -1 0 312.365 4.124 50 0 DIAARM O=C([O-])c1sc2cc(C(F)(F)F)cnc2c1-c1ccco1 ZINC000001405123 180862589 /nfs/dbraw/zinc/86/25/89/180862589.db2.gz KZEPTKFBJWYCJD-UHFFFAOYSA-N -1 0 313.256 4.273 50 0 DIAARM CC(C)C[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002344547 180920648 /nfs/dbraw/zinc/92/06/48/180920648.db2.gz VZUIUTWVGFSQKE-RYUDHWBXSA-N -1 0 311.809 4.052 50 0 DIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(C)cc3C)n2)cc1 ZINC000003335022 181007441 /nfs/dbraw/zinc/00/74/41/181007441.db2.gz MMFVANFGFKEPET-UHFFFAOYSA-N -1 0 306.365 4.163 50 0 DIAARM COc1ccccc1-c1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000003757123 181045095 /nfs/dbraw/zinc/04/50/95/181045095.db2.gz DJOFGJZYTDFRFZ-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM O=Nc1c(=O)[n-]c(Nc2ccccc2)nc1Nc1ccccc1 ZINC000004085866 181070974 /nfs/dbraw/zinc/07/09/74/181070974.db2.gz NFQITWZVTWMSGU-UHFFFAOYSA-N -1 0 307.313 4.067 50 0 DIAARM O=C([O-])CS/C(=C\c1ccco1)c1nc2ccccc2s1 ZINC000004206031 181085427 /nfs/dbraw/zinc/08/54/27/181085427.db2.gz CCDXXSIRYJZFTM-JYRVWZFOSA-N -1 0 317.391 4.205 50 0 DIAARM COc1ccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000004315627 181096253 /nfs/dbraw/zinc/09/62/53/181096253.db2.gz KZNLFMDVONQYPI-RMKNXTFCSA-N -1 0 305.333 4.112 50 0 biogenic DIAARM CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)[O-] ZINC000004521154 181119479 /nfs/dbraw/zinc/11/94/79/181119479.db2.gz NNPOZNVKUHYVEJ-UHFFFAOYSA-N -1 0 315.454 4.497 50 0 DIAARM O=C([O-])c1ccccc1C(=O)O[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000004557360 181124575 /nfs/dbraw/zinc/12/45/75/181124575.db2.gz FUZUOCJBOXIBGS-CRAIPNDOSA-N -1 0 324.376 4.268 50 0 DIAARM C[C@@H](CC(=O)[O-])CC(=O)NC1CCCCCCCCCCC1 ZINC000004690752 181136915 /nfs/dbraw/zinc/13/69/15/181136915.db2.gz SAJXJEPCXFRKAQ-OAHLLOKOSA-N -1 0 311.466 4.277 50 0 DIAARM CC(C)Cc1csc(NC(=O)c2ccc(F)cc2)c1C(=O)[O-] ZINC000004815277 181156127 /nfs/dbraw/zinc/15/61/27/181156127.db2.gz AOQNHVWWMDPGHL-UHFFFAOYSA-N -1 0 321.373 4.036 50 0 aggregator DIAARM Cc1c2cc(C)ccc2oc1C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000005032572 181194112 /nfs/dbraw/zinc/19/41/12/181194112.db2.gz VVHKLHNAKIBLBU-UHFFFAOYSA-N -1 0 323.348 4.309 50 0 DIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccc(F)cc1 ZINC000005731164 181277936 /nfs/dbraw/zinc/27/79/36/181277936.db2.gz ANVUHQNOKVPVAA-UHFFFAOYSA-N -1 0 324.229 4.324 50 0 DIAARM Cc1ccc(-n2c(CCc3ccccc3)n[n-]c2=S)cc1C ZINC000005926665 181296500 /nfs/dbraw/zinc/29/65/00/181296500.db2.gz CRZBKEDZGMSSLL-UHFFFAOYSA-N -1 0 309.438 4.332 50 0 DIAARM COc1ccc(-n2c(=S)[n-]nc2[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000006275120 181324787 /nfs/dbraw/zinc/32/47/87/181324787.db2.gz DLVAZQGGLPWMPW-JKSUJKDBSA-N -1 0 323.421 4.210 50 0 DIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000006316340 181329237 /nfs/dbraw/zinc/32/92/37/181329237.db2.gz ZUYAKPNULHKNRV-UHFFFAOYSA-N -1 0 309.818 4.264 50 0 DIAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(Cl)s2)c(C)c1 ZINC000006820292 181394947 /nfs/dbraw/zinc/39/49/47/181394947.db2.gz ZNTUJFMARZYRRY-UHFFFAOYSA-N -1 0 315.847 4.128 50 0 DIAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccc(Cl)s1 ZINC000006820423 181395180 /nfs/dbraw/zinc/39/51/80/181395180.db2.gz CKAFOAIHPBJDOX-UHFFFAOYSA-N -1 0 323.826 4.356 50 0 DIAARM CC(C)(C)C(=O)Nc1ccccc1Oc1ccsc1C(=O)[O-] ZINC000012855710 181803880 /nfs/dbraw/zinc/80/38/80/181803880.db2.gz MUHGSIAEACXZFR-UHFFFAOYSA-N -1 0 319.382 4.223 50 0 DIAARM O=C([O-])c1cncc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000016947336 182066002 /nfs/dbraw/zinc/06/60/02/182066002.db2.gz AFVYMXHOYMUQJF-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM C[C@@H](CCc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000017032153 182070093 /nfs/dbraw/zinc/07/00/93/182070093.db2.gz MBBDTYBDDBNFFE-ZDUSSCGKSA-N -1 0 310.422 4.253 50 0 DIAARM COc1ccc(C)cc1-c1nc2ccccc2c(C)c1CC(=O)[O-] ZINC000019413836 182122637 /nfs/dbraw/zinc/12/26/37/182122637.db2.gz CNTKALMWBBWTHK-UHFFFAOYSA-N -1 0 321.376 4.154 50 0 DIAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCC(=O)[O-])c2c1 ZINC000019793145 182150123 /nfs/dbraw/zinc/15/01/23/182150123.db2.gz GVPLTMDTRAZFIC-HEHNFIMWSA-N -1 0 321.376 4.174 50 0 DIAARM Cc1cc(C)c2oc(-c3ccccc3)c/c(=N\CCC(=O)[O-])c2c1 ZINC000019793964 182150289 /nfs/dbraw/zinc/15/02/89/182150289.db2.gz LMDRABYUEGGCAU-HEHNFIMWSA-N -1 0 321.376 4.092 50 0 DIAARM CCc1ccc(Nc2ncnc3sc(C(=O)[O-])c(C)c32)cc1 ZINC000020328483 182208359 /nfs/dbraw/zinc/20/83/59/182208359.db2.gz BESISGQIGWMCRI-UHFFFAOYSA-N -1 0 313.382 4.004 50 0 DIAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000100449326 193799949 /nfs/dbraw/zinc/79/99/49/193799949.db2.gz RPFUTUFNRZCWPB-XYPYZODXSA-N -1 0 314.303 4.169 50 0 DIAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccccc1 ZINC000100756836 193803739 /nfs/dbraw/zinc/80/37/39/193803739.db2.gz UNBOMFKAEFMFEX-UHFFFAOYSA-N -1 0 301.349 4.077 50 0 DIAARM Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)[O-])cc1 ZINC000041154454 183178337 /nfs/dbraw/zinc/17/83/37/183178337.db2.gz RLQCMIXUWTZFOY-UHFFFAOYSA-N -1 0 311.362 4.499 50 0 DIAARM CC(C)c1ccc(-c2nc3c(s2)C[C@H](C(=O)[O-])CC3)cc1 ZINC000057630203 184042669 /nfs/dbraw/zinc/04/26/69/184042669.db2.gz HRQLHWXBVQRPDX-CYBMUJFWSA-N -1 0 301.411 4.123 50 0 DIAARM CCn1c(=O)c2scc(-c3ccc(C)cc3)c2[n-]c1=S ZINC000062591975 184244328 /nfs/dbraw/zinc/24/43/28/184244328.db2.gz ZUOBOTDZTVPQPA-UHFFFAOYSA-N -1 0 302.424 4.116 50 0 DIAARM COc1cc(C)ccc1Oc1cc(C(=O)[O-])c2ccccc2n1 ZINC000064037983 184292001 /nfs/dbraw/zinc/29/20/01/184292001.db2.gz PFVBJNVMBSJNBF-UHFFFAOYSA-N -1 0 309.321 4.042 50 0 DIAARM O=C([O-])c1ccc(-c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000065331667 184324884 /nfs/dbraw/zinc/32/48/84/184324884.db2.gz GRJKBRHMTKKIOD-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM Cc1ccc(COc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000007603881 256521598 /nfs/dbraw/zinc/52/15/98/256521598.db2.gz QNVBCFDBSZYRGC-UHFFFAOYSA-N -1 0 321.170 4.035 50 0 DIAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 ZINC000003260402 331479299 /nfs/dbraw/zinc/47/92/99/331479299.db2.gz NYYLBJDRNSRGFM-MDZDMXLPSA-N -1 0 324.767 4.291 50 0 DIAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000100449837 563550897 /nfs/dbraw/zinc/55/08/97/563550897.db2.gz VVCQMWSCLCCYFG-KLPPZKSPSA-N -1 0 314.303 4.169 50 0 DIAARM CC(C)(C)OC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000002582926 563310681 /nfs/dbraw/zinc/31/06/81/563310681.db2.gz BGXDBARGFUXUJF-UHFFFAOYSA-N -1 0 306.145 4.039 50 0 DIAARM CC(C)(C)c1cc2c(=O)cc(C(=O)[O-])oc2c(C(C)(C)C)c1 ZINC000000002134 563211171 /nfs/dbraw/zinc/21/11/71/563211171.db2.gz CJTURQGHQPDNDA-UHFFFAOYSA-N -1 0 302.370 4.086 50 0 in-man DIAARM O=C([O-])c1sccc1OCc1ccc(Cl)cc1Cl ZINC000000169877 563227061 /nfs/dbraw/zinc/22/70/61/563227061.db2.gz SVSXLWLNEZRAIY-UHFFFAOYSA-N -1 0 303.166 4.332 50 0 DIAARM Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000282887 563235993 /nfs/dbraw/zinc/23/59/93/563235993.db2.gz WKJRRZTWLKIZNV-UHFFFAOYSA-N -1 0 316.209 4.103 50 0 DIAARM C[C@@H](CC(=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000395781 563249878 /nfs/dbraw/zinc/24/98/78/563249878.db2.gz WKHSCGSKSZJEBW-LBPRGKRZSA-N -1 0 304.773 4.497 50 0 DIAARM CC[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000409672 563252136 /nfs/dbraw/zinc/25/21/36/563252136.db2.gz UOFZNTZCBKYMPM-SUMWQHHRSA-N -1 0 312.365 4.124 50 0 DIAARM CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])cc1 ZINC000000445585 563255619 /nfs/dbraw/zinc/25/56/19/563255619.db2.gz OTMIXKCBDQOODI-OUKQBFOZSA-N -1 0 318.376 4.200 50 0 DIAARM O=C([O-])/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000000479900 563262199 /nfs/dbraw/zinc/26/21/99/563262199.db2.gz HQWLODFCSDJKCI-FNORWQNLSA-N -1 0 306.720 4.156 50 0 DIAARM O=C([O-])c1sc2cc(C(F)(F)F)cnc2c1-c1ccccn1 ZINC000001400634 563282822 /nfs/dbraw/zinc/28/28/22/563282822.db2.gz KJEHNVDRRPVEOU-UHFFFAOYSA-N -1 0 324.283 4.075 50 0 DIAARM Cc1cc2oc(-c3ccccc3C(=O)[O-])cc(=O)c2cc1Cl ZINC000001993280 563297943 /nfs/dbraw/zinc/29/79/43/563297943.db2.gz GVXYBGSYNGEFQF-UHFFFAOYSA-N -1 0 314.724 4.120 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1ccccc1Br ZINC000002378633 563302714 /nfs/dbraw/zinc/30/27/14/563302714.db2.gz JXXGZGHLPJHEDB-UHFFFAOYSA-N -1 0 313.191 4.057 50 0 DIAARM C[C@H](CC(=O)[O-])c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000002518314 563307252 /nfs/dbraw/zinc/30/72/52/563307252.db2.gz JPMVLMBCHRXPLT-LLVKDONJSA-N -1 0 303.358 4.003 50 0 DIAARM S=c1[n-]nc(CNc2cccc(Cl)c2)n1-c1ccccc1 ZINC000002544685 563308580 /nfs/dbraw/zinc/30/85/80/563308580.db2.gz QOKWUKPVAAEMBG-UHFFFAOYSA-N -1 0 316.817 4.195 50 0 DIAARM O=C([O-])c1cccc(CSc2ccc(Br)cc2)c1 ZINC000011894777 563360018 /nfs/dbraw/zinc/36/00/18/563360018.db2.gz VONXQHQKHUMCNF-UHFFFAOYSA-N -1 0 323.211 4.440 50 0 DIAARM Cc1nn(C2CCCC2)c2nc(-c3ccccc3)cc(C(=O)[O-])c12 ZINC000012357800 563367167 /nfs/dbraw/zinc/36/71/67/563367167.db2.gz VIYPINQPYIUHTC-UHFFFAOYSA-N -1 0 321.380 4.220 50 0 DIAARM CC(C)c1cc(C(=O)[O-])c2c(C3CC3)nn(-c3ccccc3)c2n1 ZINC000012398007 563368138 /nfs/dbraw/zinc/36/81/38/563368138.db2.gz VKJTWOWPZWSETQ-UHFFFAOYSA-N -1 0 321.380 4.120 50 0 DIAARM O=C([O-])Cc1sc(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000032228979 563441997 /nfs/dbraw/zinc/44/19/97/563441997.db2.gz PVXCJLYUBIIIAR-UHFFFAOYSA-N -1 0 313.353 4.243 50 0 DIAARM O=C([O-])c1cc(Cl)ccc1OCc1ccc(F)cc1Cl ZINC000035605615 563453484 /nfs/dbraw/zinc/45/34/84/563453484.db2.gz SYBUVBBYDBBSTH-UHFFFAOYSA-N -1 0 315.127 4.410 50 0 DIAARM O=C([O-])c1cc(-c2ccc(OC(F)(F)F)cc2)ccc1F ZINC000038068709 563459434 /nfs/dbraw/zinc/45/94/34/563459434.db2.gz BFRLAIBYEWAPDN-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM Cc1ccc(C(=O)C[C@H](SC2CCCCC2)C(=O)[O-])cc1 ZINC000000044115 563511876 /nfs/dbraw/zinc/51/18/76/563511876.db2.gz BCRWWNFDHMXULL-INIZCTEOSA-N -1 0 306.427 4.087 50 0 DIAARM O=C([O-])c1ccc(/C=C/c2ccc(Br)cc2)cc1 ZINC000086012762 563521437 /nfs/dbraw/zinc/52/14/37/563521437.db2.gz PKFCBJQYRVJETC-OWOJBTEDSA-N -1 0 303.155 4.318 50 0 DIAARM O=C([O-])c1c(-c2cccc(Br)c2)coc1C1CC1 ZINC000725245376 563526252 /nfs/dbraw/zinc/52/62/52/563526252.db2.gz CMJLANBXGMWRFO-UHFFFAOYSA-N -1 0 307.143 4.285 50 0 DIAARM O=c1c(-c2ccccc2)cnc2c(-c3ccc(Cl)cc3)c[n-]n21 ZINC000100240782 563587694 /nfs/dbraw/zinc/58/76/94/563587694.db2.gz INLJMVFKSONDAY-UHFFFAOYSA-N -1 0 321.767 4.010 50 0 DIAARM CCCc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000100615492 563596954 /nfs/dbraw/zinc/59/69/54/563596954.db2.gz ARWCGBWPMLMNKK-UHFFFAOYSA-N -1 0 301.777 4.016 50 0 DIAARM CC(C)(C(=O)[O-])c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000123911446 563599345 /nfs/dbraw/zinc/59/93/45/563599345.db2.gz LFTXNFCSIXVTHV-UHFFFAOYSA-N -1 0 316.209 4.479 50 0 DIAARM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000005532820 563624287 /nfs/dbraw/zinc/62/42/87/563624287.db2.gz XYNYNRGDPIDMSI-CYBMUJFWSA-N -1 0 320.344 4.456 50 0 DIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(C2CCCC2)cc1 ZINC000583651312 563651703 /nfs/dbraw/zinc/65/17/03/563651703.db2.gz JGYQGMYDXMQGIW-UHFFFAOYSA-N -1 0 309.365 4.295 50 0 DIAARM CCC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583652088 563651712 /nfs/dbraw/zinc/65/17/12/563651712.db2.gz YFEXAGVFOUCRRH-UHFFFAOYSA-N -1 0 311.381 4.325 50 0 DIAARM COc1ccc(C(=O)[O-])cc1NC/C=C\c1ccc(Cl)cc1 ZINC000102661500 563661198 /nfs/dbraw/zinc/66/11/98/563661198.db2.gz BGYPAGUUJSQQSF-IHWYPQMZSA-N -1 0 317.772 4.172 50 0 DIAARM CCc1ccc(N[C@@H](c2ccc(C)cc2C)[P@@](=O)([O-])O)cc1 ZINC000012540645 563800013 /nfs/dbraw/zinc/80/00/13/563800013.db2.gz ZRNHPTWDBAZALF-QGZVFWFLSA-N -1 0 319.341 4.154 50 0 DIAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000025496823 563834730 /nfs/dbraw/zinc/83/47/30/563834730.db2.gz YWVPNKXYIIUHMY-AWEZNQCLSA-N -1 0 305.171 4.056 50 0 DIAARM O=C([O-])/C(=C\c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000075270956 563862128 /nfs/dbraw/zinc/86/21/28/563862128.db2.gz ORIOJGAHYFOPAV-PDGQHHTCSA-N -1 0 319.316 4.373 50 0 DIAARM O=C([O-])c1ccccc1NN=Cc1c(Cl)cccc1Cl ZINC000252477546 563885518 /nfs/dbraw/zinc/88/55/18/563885518.db2.gz QNCGGVHCCFRGOT-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)on2)cc1 ZINC000036390857 563897863 /nfs/dbraw/zinc/89/78/63/563897863.db2.gz AZVKACPROYWSMN-UHFFFAOYSA-N -1 0 314.291 4.181 50 0 DIAARM C[C@H](c1cc2ccccc2o1)n1c(=O)c2ccccc2[n-]c1=S ZINC000007047233 563901571 /nfs/dbraw/zinc/90/15/71/563901571.db2.gz PWFVELRTGJHEIW-LLVKDONJSA-N -1 0 322.389 4.415 50 0 DIAARM O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1O ZINC000003131760 563905785 /nfs/dbraw/zinc/90/57/85/563905785.db2.gz DHBGYXBRHYAUEU-UHFFFAOYSA-N -1 0 315.678 4.317 50 0 DIAARM Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000007381966 563905826 /nfs/dbraw/zinc/90/58/26/563905826.db2.gz IJXNUKVLMGFCSQ-UHFFFAOYSA-N -1 0 321.417 4.232 50 0 DIAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007737332 563918477 /nfs/dbraw/zinc/91/84/77/563918477.db2.gz VYTIFZCBASFWQZ-AWEZNQCLSA-N -1 0 318.200 4.213 50 0 DIAARM O=C([O-])[C@H](CC(=O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000002567121 563939323 /nfs/dbraw/zinc/93/93/23/563939323.db2.gz WOFXQNKQYCNGNM-GFCCVEGCSA-N -1 0 323.175 4.435 50 0 DIAARM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)cc2)CCCCC1 ZINC000003254219 563943369 /nfs/dbraw/zinc/94/33/69/563943369.db2.gz HTLXKIYUHHJLJD-UHFFFAOYSA-N -1 0 309.793 4.094 50 0 DIAARM Cc1ccc(C)c(CSCc2nc(=O)c3sccc3[n-]2)c1 ZINC000009585648 563956874 /nfs/dbraw/zinc/95/68/74/563956874.db2.gz WPGQXWFHCAKHCO-UHFFFAOYSA-N -1 0 316.451 4.035 50 0 DIAARM Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)[O-])cc1 ZINC000025761339 568412824 /nfs/dbraw/zinc/41/28/24/568412824.db2.gz DFRLNCJVNDZTJX-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 ZINC000025761623 568412833 /nfs/dbraw/zinc/41/28/33/568412833.db2.gz CAPOOSYFPALUPX-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC[C@@H]2C(=O)[O-] ZINC000004081136 568417586 /nfs/dbraw/zinc/41/75/86/568417586.db2.gz KAYYIYDHRSEWHR-GXMZCPKZSA-N -1 0 320.473 4.091 50 0 biogenic DIAARM Cc1[n-]n2c(nc(-c3ccc(C)cc3)cc2=O)c1-c1ccccc1 ZINC000102668738 1038484364 /nfs/dbraw/zinc/48/43/64/1038484364.db2.gz XQPGTMFOQOCXKK-UHFFFAOYSA-N -1 0 315.376 4.386 50 0 DIAARM O=C([O-])c1cccc(NN=Cc2ccc(-c3ccccc3)cc2)c1 ZINC000013147062 1040589414 /nfs/dbraw/zinc/58/94/14/1040589414.db2.gz DHWZXCBSGHBBHU-UHFFFAOYSA-N -1 0 316.360 4.498 50 0 DIAARM Cc1sc(/C=C/c2cccc(OC(C)C)c2)nc1C(=O)[O-] ZINC000225792874 1046272381 /nfs/dbraw/zinc/27/23/81/1046272381.db2.gz GTYAKCIYWZZURQ-BQYQJAHWSA-N -1 0 303.383 4.107 50 0 DIAARM Cc1ccc(-c2cc3[n-]c(-c4ccccn4)nc(=O)c3s2)cc1 ZINC000053852216 1046407106 /nfs/dbraw/zinc/40/71/06/1046407106.db2.gz FDXISGCWWYDPGI-UHFFFAOYSA-N -1 0 319.389 4.434 50 0 DIAARM CCc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000254383267 1047200627 /nfs/dbraw/zinc/20/06/27/1047200627.db2.gz AYRWPCSGESFOID-UHFFFAOYSA-N -1 0 302.761 4.047 50 0 DIAARM Nc1sc(-c2ccccc2)c(Cc2ccccc2)c1C(=O)[O-] ZINC000000247209 1047312326 /nfs/dbraw/zinc/31/23/26/1047312326.db2.gz VCTYYQCVMRVWQZ-UHFFFAOYSA-N -1 0 309.390 4.286 50 0 DIAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006919562 1048503507 /nfs/dbraw/zinc/50/35/07/1048503507.db2.gz UXCCDKWEHFATOO-UHFFFAOYSA-N -1 0 309.818 4.264 50 0 DIAARM CC[Si](CC)(CC)CC[P@](=O)([O-])[C@H](O)c1ccccc1 ZINC000195816190 1053046900 /nfs/dbraw/zinc/04/69/00/1053046900.db2.gz AYTZFYHOHRCMHL-HNNXBMFYSA-N -1 0 314.438 4.456 50 0 DIAARM O=C([O-])c1cccc2ccc(-c3ccc4ccccc4n3)nc21 ZINC000000490081 190614685 /nfs/dbraw/zinc/61/46/85/190614685.db2.gz HNUYHMNCFUCGCW-UHFFFAOYSA-N -1 0 300.317 4.148 50 0 biogenic DIAARM O=C([O-])[C@@H](Sc1ccnc(-c2ccccc2)n1)c1ccccc1 ZINC000072265550 191089530 /nfs/dbraw/zinc/08/95/30/191089530.db2.gz OCGVSYPAJFXNQX-INIZCTEOSA-N -1 0 322.389 4.062 50 0 DIAARM O=C([O-])CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000000126429 180701254 /nfs/dbraw/zinc/70/12/54/180701254.db2.gz STVVIBPFTMJJIZ-UHFFFAOYSA-N -1 0 311.362 4.185 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000448822 180794448 /nfs/dbraw/zinc/79/44/48/180794448.db2.gz CGJKOWLPAZYPHW-QZTJIDSGSA-N -1 0 323.392 4.183 50 0 DIAARM O=C([O-])c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000499675 180808102 /nfs/dbraw/zinc/80/81/02/180808102.db2.gz WXLRBDMDGLLZRS-UHFFFAOYSA-N -1 0 317.344 4.304 50 0 biogenic,in-vivo DIAARM Cc1cccc(C(=O)C[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000001397637 180860789 /nfs/dbraw/zinc/86/07/89/180860789.db2.gz PNDWBSYOPKLAGA-HNNXBMFYSA-N -1 0 302.757 4.090 50 0 DIAARM Cc1[n-]n(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccccc1 ZINC000003133798 180984121 /nfs/dbraw/zinc/98/41/21/180984121.db2.gz ILRMLTMTUHZVIO-UHFFFAOYSA-N -1 0 318.298 4.160 50 0 DIAARM Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)[O-])cc1 ZINC000003346462 181008872 /nfs/dbraw/zinc/00/88/72/181008872.db2.gz NIUCUIMSWMUESV-VAWYXSNFSA-N -1 0 318.376 4.005 50 0 DIAARM COc1ccccc1-c1cc(C(=O)[O-])c2cc(C)cc(C)c2n1 ZINC000003756460 181045463 /nfs/dbraw/zinc/04/54/63/181045463.db2.gz JSTPXWAVHYEQRY-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM COc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000003757122 181045486 /nfs/dbraw/zinc/04/54/86/181045486.db2.gz RUZKTERZQBPAEU-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000004044743 181066425 /nfs/dbraw/zinc/06/64/25/181066425.db2.gz KFVUFODCZDRVSS-XGBBNYNSSA-N -1 0 318.457 4.443 50 0 biogenic,investigational DIAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2[C@H](C)c2ccccc21 ZINC000004044399 181066562 /nfs/dbraw/zinc/06/65/62/181066562.db2.gz KOXAUIJMWHCIOC-QFSBIZTOSA-N -1 0 321.376 4.150 50 0 biogenic DIAARM O=C([O-])c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000004087732 181071423 /nfs/dbraw/zinc/07/14/23/181071423.db2.gz HJDASZASOCACNB-UHFFFAOYSA-N -1 0 322.408 4.038 50 0 DIAARM COc1cccc2sc([N-]c3nc(C)c(C(C)=O)s3)nc21 ZINC000004101547 181073450 /nfs/dbraw/zinc/07/34/50/181073450.db2.gz LGSGETCAZSUWQV-UHFFFAOYSA-N -1 0 319.411 4.016 50 0 DIAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1Cc1ccccc1 ZINC000004540355 181121748 /nfs/dbraw/zinc/12/17/48/181121748.db2.gz YWGUEDFCMFTOSH-UHFFFAOYSA-N -1 0 300.741 4.051 50 0 DIAARM Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])c1 ZINC000004616498 181129935 /nfs/dbraw/zinc/12/99/35/181129935.db2.gz YKASMWJEDXOPJJ-UHFFFAOYSA-N -1 0 311.381 4.243 50 0 DIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000004702082 181139897 /nfs/dbraw/zinc/13/98/97/181139897.db2.gz KLMGMFWVIBKJKG-DLBZAZTESA-N -1 0 323.392 4.226 50 0 DIAARM C[P@@](=O)([O-])O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000004844144 181162066 /nfs/dbraw/zinc/16/20/66/181162066.db2.gz KMHLVUNYCANPKI-MRVPVSSYSA-N -1 0 322.141 4.141 50 0 DIAARM Cc1c(Cl)c(C)c(Br)c([O-])c1Br ZINC000005212000 181217576 /nfs/dbraw/zinc/21/75/76/181217576.db2.gz JVJYURWOPAQMPX-UHFFFAOYSA-N -1 0 314.404 4.187 50 0 DIAARM O=C([O-])c1ccccc1SCc1ccc(Br)cc1 ZINC000006222349 181320893 /nfs/dbraw/zinc/32/08/93/181320893.db2.gz ITEYFCUZWSWOKH-UHFFFAOYSA-N -1 0 323.211 4.440 50 0 DIAARM CC(C)CCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C)CC3 ZINC000006295024 181326979 /nfs/dbraw/zinc/32/69/79/181326979.db2.gz NAYUFDKNQOJCNA-SNVBAGLBSA-N -1 0 322.499 4.291 50 0 DIAARM CCc1cc2c(=O)c(Oc3ccc(F)cc3)c(C)oc2cc1[O-] ZINC000006519566 181348800 /nfs/dbraw/zinc/34/88/00/181348800.db2.gz LFGYUSXURMHGND-UHFFFAOYSA-N -1 0 314.312 4.301 50 0 DIAARM O=C(Nc1ccc(F)c(F)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000006787031 181388456 /nfs/dbraw/zinc/38/84/56/181388456.db2.gz UJQZKSXBESOEFN-UHFFFAOYSA-N -1 0 318.106 4.230 50 0 DIAARM O=C([O-])c1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 ZINC000091695588 193093118 /nfs/dbraw/zinc/09/31/18/193093118.db2.gz WCPZGSPGVNMFCT-UHFFFAOYSA-N -1 0 301.651 4.119 50 0 DIAARM CC(C)CC(=O)Nc1ccc(Oc2ccsc2C(=O)[O-])cc1 ZINC000008887769 181589743 /nfs/dbraw/zinc/58/97/43/181589743.db2.gz QZLJKYVFIPSBCB-UHFFFAOYSA-N -1 0 319.382 4.223 50 0 DIAARM CCOc1ccc(CNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000016578956 182050620 /nfs/dbraw/zinc/05/06/20/182050620.db2.gz DTOWWEUVDMPAKT-UHFFFAOYSA-N -1 0 305.761 4.049 50 0 DIAARM Cc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1cccc2ccccc21 ZINC000018155173 182095241 /nfs/dbraw/zinc/09/52/41/182095241.db2.gz SIYRSAAFOJHXNJ-UHFFFAOYSA-N -1 0 323.783 4.113 50 0 DIAARM O=C([O-])c1cccnc1Sc1ccnc2cc(Cl)ccc21 ZINC000020020949 182179499 /nfs/dbraw/zinc/17/94/99/182179499.db2.gz GSXWZSVHWMGKNI-UHFFFAOYSA-N -1 0 316.769 4.133 50 0 DIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(Cl)cc1F ZINC000020395689 182214248 /nfs/dbraw/zinc/21/42/48/182214248.db2.gz AZJUXSOEMKEKGW-UHFFFAOYSA-N -1 0 322.723 4.130 50 0 DIAARM O=C([O-])c1cn(Cc2ccc(F)cc2Cl)c2ccccc12 ZINC000020544670 182229490 /nfs/dbraw/zinc/22/94/90/182229490.db2.gz VKYGGGIBIUAWIQ-UHFFFAOYSA-N -1 0 303.720 4.180 50 0 DIAARM O=C([O-])c1cnc(C23CC4CC(CC(C4)C2)C3)c2ccccc12 ZINC000020792186 182247473 /nfs/dbraw/zinc/24/74/73/182247473.db2.gz ROILMQCCKIAYJV-UHFFFAOYSA-N -1 0 307.393 4.401 50 0 DIAARM O=C([O-])C/C(=C/c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000022024961 182304515 /nfs/dbraw/zinc/30/45/15/182304515.db2.gz IUPYUPUPINKMIM-WQLSENKSSA-N -1 0 313.740 4.497 50 0 DIAARM CCC[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000023732714 182367334 /nfs/dbraw/zinc/36/73/34/182367334.db2.gz HRAAKBANKIWTNR-OAHLLOKOSA-N -1 0 303.789 4.317 50 0 DIAARM Cc1c(-c2ccc(C)cc2)[n-]n2c1nc(-c1ccccc1)cc2=O ZINC000100631546 193802514 /nfs/dbraw/zinc/80/25/14/193802514.db2.gz GDDNTHSLTFHGGI-UHFFFAOYSA-N -1 0 315.376 4.386 50 0 DIAARM O=C([O-])c1ccc(Br)cc1Oc1ccc(F)cc1 ZINC000036670595 182834766 /nfs/dbraw/zinc/83/47/66/182834766.db2.gz ZDIJUXHEYRHPOC-UHFFFAOYSA-N -1 0 311.106 4.079 50 0 DIAARM Cc1ccccc1COc1ccc(/C=C/C(=O)[O-])cc1Cl ZINC000043490692 183366354 /nfs/dbraw/zinc/36/63/54/183366354.db2.gz QZINYSIXEOQOPW-VQHVLOKHSA-N -1 0 302.757 4.325 50 0 DIAARM O=C([O-])c1cc(-c2cccc(OCc3ccccc3)c2)ccn1 ZINC000065349138 184326668 /nfs/dbraw/zinc/32/66/68/184326668.db2.gz DSJADIBOYBIDHE-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@H]1CC(=O)c1ccccc1C(F)(F)F ZINC000091676153 257137344 /nfs/dbraw/zinc/13/73/44/257137344.db2.gz LDUOFKAZKGAMHJ-QWRGUYRKSA-N -1 0 314.303 4.169 50 0 DIAARM C[C@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000045068784 262518472 /nfs/dbraw/zinc/51/84/72/262518472.db2.gz GBXAZGMVVOKMOU-GFCCVEGCSA-N -1 0 304.773 4.182 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1C[C@@H](c1ccccc1)CC2 ZINC000000089203 563215346 /nfs/dbraw/zinc/21/53/46/563215346.db2.gz FFIYNTUPTKLZMH-AWEZNQCLSA-N -1 0 303.361 4.206 50 0 DIAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000000282239 563235847 /nfs/dbraw/zinc/23/58/47/563235847.db2.gz BKERUEGGSAZGGP-UHFFFAOYSA-N -1 0 314.340 4.187 50 0 in-vitro DIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(Cl)cc3)n2)cc1 ZINC000000732370 563271870 /nfs/dbraw/zinc/27/18/70/563271870.db2.gz MFDZVWYHGSJHSG-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM O=C([O-])c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000001514868 563284654 /nfs/dbraw/zinc/28/46/54/563284654.db2.gz ZIFYTSINBLXZFE-UHFFFAOYSA-N -1 0 315.275 4.201 50 0 DIAARM CCCCc1c(C)nc2ccccc2c1SCCC(=O)[O-] ZINC000002333421 563303164 /nfs/dbraw/zinc/30/31/64/563303164.db2.gz JQBZUYFFOMONBK-UHFFFAOYSA-N -1 0 303.427 4.453 50 0 DIAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)o1 ZINC000002526092 563307792 /nfs/dbraw/zinc/30/77/92/563307792.db2.gz XRIXXLJYXICXAM-UHFFFAOYSA-N -1 0 301.729 4.463 50 0 DIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1 ZINC000002738248 563312085 /nfs/dbraw/zinc/31/20/85/563312085.db2.gz RJFAMQLSVJIZQQ-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM O=C([O-])c1cccc(CSc2nc3ccccc3s2)c1 ZINC000002882143 563316665 /nfs/dbraw/zinc/31/66/65/563316665.db2.gz VCIFBCMPRCJQGH-UHFFFAOYSA-N -1 0 301.392 4.287 50 0 DIAARM C[C@@H](SCc1nc(=O)c2sccc2[n-]1)c1cccs1 ZINC000071915144 563343164 /nfs/dbraw/zinc/34/31/64/563343164.db2.gz QIZDUFKASVSKNG-MRVPVSSYSA-N -1 0 308.453 4.041 50 0 DIAARM CC(C)(C)C(=O)Nc1ccc(Oc2ccsc2C(=O)[O-])cc1 ZINC000008887770 563351645 /nfs/dbraw/zinc/35/16/45/563351645.db2.gz KBCNYIHHKOEIJP-UHFFFAOYSA-N -1 0 319.382 4.223 50 0 DIAARM CCCCCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000009698351 563354427 /nfs/dbraw/zinc/35/44/27/563354427.db2.gz DCNITHADNMKMHA-UHFFFAOYSA-N -1 0 309.413 4.039 50 0 DIAARM O=C([O-])c1ccc(COc2c(Cl)cccc2Cl)s1 ZINC000012357628 563366956 /nfs/dbraw/zinc/36/69/56/563366956.db2.gz LEPIPUATYXXCQK-UHFFFAOYSA-N -1 0 303.166 4.332 50 0 DIAARM O=C([O-])c1nn(-c2ccccc2)c2c1CC/C2=C\c1ccccc1 ZINC000012505504 563370513 /nfs/dbraw/zinc/37/05/13/563370513.db2.gz LUIFIKCIOJNWNE-FYWRMAATSA-N -1 0 316.360 4.057 50 0 DIAARM CC(C)n1c(=O)c2c(-c3cccs3)csc2[n-]c1=S ZINC000013142740 563379721 /nfs/dbraw/zinc/37/97/21/563379721.db2.gz FQKNGPJRHADCHQ-UHFFFAOYSA-N -1 0 308.453 4.430 50 0 DIAARM Cc1cc(-c2ccc3[nH]ccc3c2)nc(-c2ccccc2[O-])n1 ZINC000067805241 563491679 /nfs/dbraw/zinc/49/16/79/563491679.db2.gz DAKLUZKQHLFNPK-UHFFFAOYSA-N -1 0 301.349 4.306 50 0 DIAARM CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[O-] ZINC000078703199 563513789 /nfs/dbraw/zinc/51/37/89/563513789.db2.gz LNPRSLPLJGGYGI-UHFFFAOYSA-N -1 0 300.141 4.299 50 0 DIAARM C[C@]12C[C@@]3(C[C@@H]1O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000004731265 563517524 /nfs/dbraw/zinc/51/75/24/563517524.db2.gz LXNQITSPGGEHPV-XQIDNCIUSA-N -1 0 320.473 4.235 50 0 DIAARM Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000000354417 563590047 /nfs/dbraw/zinc/59/00/47/563590047.db2.gz MPJRDZGBNJINKI-UHFFFAOYSA-N -1 0 317.454 4.402 50 0 DIAARM O=C([O-])c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000000022949 563628450 /nfs/dbraw/zinc/62/84/50/563628450.db2.gz FVTHEGNIBCXLFB-UHFFFAOYSA-N -1 0 324.258 4.048 50 0 DIAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1-c1ccc2ccccc2n1 ZINC000006370001 563873099 /nfs/dbraw/zinc/87/30/99/563873099.db2.gz SYRXYXARGXMWHC-UHFFFAOYSA-N -1 0 317.344 4.331 50 0 aggregator DIAARM O=C(Nc1ccccc1O)C1c2ccccc2Oc2ccccc21 ZINC000012998619 563874500 /nfs/dbraw/zinc/87/45/00/563874500.db2.gz UNCKUSWAQVHWOD-UHFFFAOYSA-N -1 0 317.344 4.269 50 0 DIAARM O=C([O-])c1cc(NN=Cc2ccc(Cl)cc2)ccc1Cl ZINC000250264814 563909810 /nfs/dbraw/zinc/90/98/10/563909810.db2.gz WIPBLUDCCNUQDW-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM CCc1nnc(NC(=O)c2sc3cccc(F)c3c2C)s1 ZINC000007667691 563917785 /nfs/dbraw/zinc/91/77/85/563917785.db2.gz JDEOMAFJJAOHCG-UHFFFAOYSA-N -1 0 321.402 4.015 50 0 DIAARM Cc1ccccc1NC(=O)C[C@H](C)[C@H](CCC(C)C)C(=O)[O-] ZINC000002306688 563925795 /nfs/dbraw/zinc/92/57/95/563925795.db2.gz BIVPKPIKICYZDK-GJZGRUSLSA-N -1 0 305.418 4.097 50 0 DIAARM Cc1csc(-c2nc(=O)c3c(-c4ccco4)csc3[n-]2)n1 ZINC000097115156 563937736 /nfs/dbraw/zinc/93/77/36/563937736.db2.gz XAUIYYCJUHDBGK-UHFFFAOYSA-N -1 0 315.379 4.089 50 0 DIAARM [O-]c1ccccc1-c1nc2ccccc2c(N2CCCCCC2)n1 ZINC000000102236 568421492 /nfs/dbraw/zinc/42/14/92/568421492.db2.gz BYDPOJQCZGCFBV-UHFFFAOYSA-N -1 0 319.408 4.383 50 0 DIAARM O=C([O-])c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000000007038 568421498 /nfs/dbraw/zinc/42/14/98/568421498.db2.gz CTNQAPPDQTYTHM-UHFFFAOYSA-N -1 0 324.258 4.048 50 0 DIAARM C[C@@H]1CCCN(c2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000000309789 568421551 /nfs/dbraw/zinc/42/15/51/568421551.db2.gz OEXVEBYSMKGXCQ-CQSZACIVSA-N -1 0 319.408 4.239 50 0 DIAARM Cc1cc(=O)n(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[n-]1 ZINC000100662923 1036642969 /nfs/dbraw/zinc/64/29/69/1036642969.db2.gz GEDPWGBSOCTDJR-UHFFFAOYSA-N -1 0 316.445 4.095 50 0 DIAARM O=C([O-])c1cccn2cc(-c3ccc(-c4ccccc4)cc3)nc12 ZINC000071571854 1037627424 /nfs/dbraw/zinc/62/74/24/1037627424.db2.gz ONLXSUSSYXVADL-UHFFFAOYSA-N -1 0 314.344 4.367 50 0 DIAARM O=C([O-])C[C@H](c1ccccc1)c1ccc([O-])c(Cl)c1Cl ZINC000000228081 1047310510 /nfs/dbraw/zinc/31/05/10/1047310510.db2.gz XZABTEQGIPYGCG-LLVKDONJSA-N -1 0 311.164 4.306 50 0 DIAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)[O-])cc1C ZINC000033573494 1052813678 /nfs/dbraw/zinc/81/36/78/1052813678.db2.gz PKHDGRDMQXGBQK-KHPPLWFESA-N -1 0 318.376 4.254 50 0 DIAARM COc1cccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000096791994 185388523 /nfs/dbraw/zinc/38/85/23/185388523.db2.gz ZRGBDJYFPMFVML-KTKRTIGZSA-N -1 0 305.333 4.112 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])cc(-c3ccccc3)n2)cc1 ZINC000328579033 231230092 /nfs/dbraw/zinc/23/00/92/231230092.db2.gz JURBSAKBJBGOCJ-UHFFFAOYSA-N -1 0 305.333 4.122 50 0 DIAARM O=C([O-])c1cc2ccccc2n1CCOc1ccccc1Cl ZINC000083255370 185221504 /nfs/dbraw/zinc/22/15/04/185221504.db2.gz WBDZYSFFVPWTJI-UHFFFAOYSA-N -1 0 315.756 4.072 50 0 DIAARM O=C([O-])Cc1sc(-c2ccccc2)nc1-c1cccs1 ZINC000000127978 180701773 /nfs/dbraw/zinc/70/17/73/180701773.db2.gz CDQHUGOFVVCKHQ-UHFFFAOYSA-N -1 0 301.392 4.166 50 0 DIAARM CCc1cccc2c([C@H](CC(=O)c3ccccc3)C(=O)[O-])c[nH]c21 ZINC000003135178 180984987 /nfs/dbraw/zinc/98/49/87/180984987.db2.gz SLRXORCPPZDEIL-INIZCTEOSA-N -1 0 321.376 4.172 50 0 DIAARM Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)[O-])cc1 ZINC000003394155 181014705 /nfs/dbraw/zinc/01/47/05/181014705.db2.gz LWKSLPCBICDRDO-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM Cc1c(-c2ccc(O)cc2)nc2ccc(Cl)cc2c1C(=O)[O-] ZINC000003883716 181052079 /nfs/dbraw/zinc/05/20/79/181052079.db2.gz GANQTYWVIMDQNV-UHFFFAOYSA-N -1 0 313.740 4.267 50 0 DIAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2[C@H](C)c2ccccc21 ZINC000004044395 181066832 /nfs/dbraw/zinc/06/68/32/181066832.db2.gz KOXAUIJMWHCIOC-PSTGCABASA-N -1 0 321.376 4.150 50 0 biogenic DIAARM CC(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1 ZINC000004089505 181071890 /nfs/dbraw/zinc/07/18/90/181071890.db2.gz QLDYPMONFFZHEJ-QGZVFWFLSA-N -1 0 317.429 4.022 50 0 DIAARM Cc1cc2[nH]c(-c3ccccn3)c(CCCC(=O)[O-])c2c(C)c1 ZINC000004137069 181077810 /nfs/dbraw/zinc/07/78/10/181077810.db2.gz WJCIFYHIYJSTIL-UHFFFAOYSA-N -1 0 308.381 4.254 50 0 DIAARM CC(=O)c1sc([N-]c2nc3c(cccc3F)s2)nc1C ZINC000004137676 181078088 /nfs/dbraw/zinc/07/80/88/181078088.db2.gz JSKPFYHEPQHDNR-UHFFFAOYSA-N -1 0 307.375 4.147 50 0 DIAARM COc1ccc2sc([N-]c3nnc(-c4ccccc4)o3)nc2c1 ZINC000004359839 181102287 /nfs/dbraw/zinc/10/22/87/181102287.db2.gz ZGUPLLRXBNMFPU-UHFFFAOYSA-N -1 0 324.365 4.099 50 0 DIAARM O=C([O-])/C=C1/c2ccccc2CSc2ccc(Cl)cc21 ZINC000004567253 181125444 /nfs/dbraw/zinc/12/54/44/181125444.db2.gz DALZHJDZKQYSKO-JYRVWZFOSA-N -1 0 302.782 4.462 50 0 DIAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)[C@H](C(=O)[O-])C1 ZINC000004651534 181132034 /nfs/dbraw/zinc/13/20/34/181132034.db2.gz CUMYYBACRQOPSC-IAGOWNOFSA-N -1 0 315.413 4.196 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000004869921 181166285 /nfs/dbraw/zinc/16/62/85/181166285.db2.gz QIUJJLXAWQDFMX-UHFFFAOYSA-N -1 0 301.523 4.061 50 0 DIAARM COc1cccc2c1ncc(C(=O)[O-])c2N[C@@H](C)c1ccccc1 ZINC000005610146 181263629 /nfs/dbraw/zinc/26/36/29/181263629.db2.gz OFTGVWHMBBCTCO-LBPRGKRZSA-N -1 0 322.364 4.115 50 0 DIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 ZINC000005675828 181270768 /nfs/dbraw/zinc/27/07/68/181270768.db2.gz WNSWJNDGYALZPM-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(C)cc2C)cc1 ZINC000005687723 181272844 /nfs/dbraw/zinc/27/28/44/181272844.db2.gz DCLOBMQVYYOWJX-UHFFFAOYSA-N -1 0 311.410 4.222 50 0 DIAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccccc1 ZINC000005731498 181278425 /nfs/dbraw/zinc/27/84/25/181278425.db2.gz IPYFSMBIYHJJOL-UHFFFAOYSA-N -1 0 306.239 4.184 50 0 biogenic DIAARM CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1[O-] ZINC000006519567 181348492 /nfs/dbraw/zinc/34/84/92/181348492.db2.gz CAMSHXAQAUZTCI-UHFFFAOYSA-N -1 0 314.312 4.301 50 0 DIAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1-c1ccccc1Cl ZINC000006556308 181354492 /nfs/dbraw/zinc/35/44/92/181354492.db2.gz HNLFTKVLUMIPMQ-UHFFFAOYSA-N -1 0 300.741 4.436 50 0 DIAARM O=C([O-])c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000006721553 181376798 /nfs/dbraw/zinc/37/67/98/181376798.db2.gz LHJOKCMLJJDHIM-UHFFFAOYSA-N -1 0 315.756 4.072 50 0 DIAARM CC1(C)C[C@](CC(=O)[O-])(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006755267 181384236 /nfs/dbraw/zinc/38/42/36/181384236.db2.gz HQABJWNBCNVWRY-HNNXBMFYSA-N -1 0 316.319 4.007 50 0 DIAARM N#Cc1cccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3o2)c1 ZINC000096295922 193610446 /nfs/dbraw/zinc/61/04/46/193610446.db2.gz PMMDGXNGUSJCHI-RVDMUPIBSA-N -1 0 318.332 4.105 50 0 DIAARM C[C@H](n1cc(C(=O)[O-])c(-c2ccc(Cl)cc2)n1)C(F)(F)F ZINC000008699890 181573984 /nfs/dbraw/zinc/57/39/84/181573984.db2.gz HXHNSADNTAWFQS-ZETCQYMHSA-N -1 0 318.682 4.025 50 0 DIAARM O=C([O-])c1cc(-c2cccs2)nc2onc(-c3ccccc3)c21 ZINC000012394286 181756366 /nfs/dbraw/zinc/75/63/66/181756366.db2.gz NGIWJFWRTBWGSQ-UHFFFAOYSA-N -1 0 322.345 4.317 50 0 DIAARM CC(C)c1ccc(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000016777310 182060294 /nfs/dbraw/zinc/06/02/94/182060294.db2.gz SEYLSKDQCRFQJU-UHFFFAOYSA-N -1 0 320.396 4.035 50 0 DIAARM O=C([O-])c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccccc21 ZINC000019205119 182107476 /nfs/dbraw/zinc/10/74/76/182107476.db2.gz KNAZIYPYZIIYCN-UHFFFAOYSA-N -1 0 307.393 4.401 50 0 DIAARM C[C@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000019723484 182139320 /nfs/dbraw/zinc/13/93/20/182139320.db2.gz GABFCYXGNGRLDU-UHSVVUDUSA-N -1 0 300.398 4.006 50 0 DIAARM Cc1nc([N-]c2nccc(-c3ccccc3)n2)nc2ccccc12 ZINC000019957453 182170065 /nfs/dbraw/zinc/17/00/65/182170065.db2.gz TYYZPMPWDKNNIV-UHFFFAOYSA-N -1 0 313.364 4.139 50 0 DIAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(C)c(C)c3)c12 ZINC000020328270 182208489 /nfs/dbraw/zinc/20/84/89/182208489.db2.gz XCRSQHXCQHOTDX-UHFFFAOYSA-N -1 0 313.382 4.058 50 0 DIAARM O=C([O-])c1cc(Nc2ccc(F)cc2)c2cccc(Cl)c2n1 ZINC000021657726 182282705 /nfs/dbraw/zinc/28/27/05/182282705.db2.gz QMQVOVNSMBTUMB-UHFFFAOYSA-N -1 0 316.719 4.469 50 0 DIAARM O=C([O-])C/C(=C/c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000028495886 182525408 /nfs/dbraw/zinc/52/54/08/182525408.db2.gz NMTMNZSJXCTRDW-XFXZXTDPSA-N -1 0 313.353 4.451 50 0 DIAARM O=C([O-])/C=C/c1ccc(-c2cccc(Br)c2)s1 ZINC000032627059 182651660 /nfs/dbraw/zinc/65/16/60/182651660.db2.gz VPDSDCTZUJEUAD-FNORWQNLSA-N -1 0 309.184 4.275 50 0 DIAARM O=C([O-])c1ccnc(Oc2ccc(Oc3ccccc3)cc2)c1 ZINC000040457292 183069003 /nfs/dbraw/zinc/06/90/03/183069003.db2.gz ACQIQSZZTAQCPJ-UHFFFAOYSA-N -1 0 307.305 4.364 50 0 DIAARM FC(F)(F)c1cc2sc(=S)[n-]c2c(Br)c1 ZINC000040456615 183069401 /nfs/dbraw/zinc/06/94/01/183069401.db2.gz HAIZUSNDTLOTKR-UHFFFAOYSA-N -1 0 314.151 4.366 50 0 DIAARM Cc1nc(Nc2ccc(C(C)C)cc2)sc1CCC(=O)[O-] ZINC000058004279 184066288 /nfs/dbraw/zinc/06/62/88/184066288.db2.gz QXKNUFLVHIHLPI-UHFFFAOYSA-N -1 0 304.415 4.336 50 0 DIAARM O=C([O-])c1cccc(-c2cccc(OCc3ccccc3)c2)n1 ZINC000065349140 184326562 /nfs/dbraw/zinc/32/65/62/184326562.db2.gz MYCOOKAPIOCXQO-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM C[C@@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000045068781 262518649 /nfs/dbraw/zinc/51/86/49/262518649.db2.gz GBXAZGMVVOKMOU-LBPRGKRZSA-N -1 0 304.773 4.182 50 0 DIAARM O=C([O-])c1cccnc1-c1ccccc1OCc1cccc(F)c1 ZINC000534661740 334322039 /nfs/dbraw/zinc/32/20/39/334322039.db2.gz LOBACKWXWDOFOI-UHFFFAOYSA-N -1 0 323.323 4.165 50 0 DIAARM O=C(Nc1c([O-])c(Cl)cc(Cl)c1Cl)c1cscn1 ZINC000156583260 527094490 /nfs/dbraw/zinc/09/44/90/527094490.db2.gz IWAXSOOZUBUUNA-UHFFFAOYSA-N -1 0 323.588 4.061 50 0 DIAARM Cc1cc(C)n(-c2ccc3c(Cl)cc(Cl)c([O-])c3n2)n1 ZINC000000381398 563247767 /nfs/dbraw/zinc/24/77/67/563247767.db2.gz DLNPITTXFBDOBO-UHFFFAOYSA-N -1 0 308.168 4.050 50 0 DIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3cccc(Cl)c3)n2)cc1 ZINC000000732376 563271781 /nfs/dbraw/zinc/27/17/81/563271781.db2.gz WYZDTQQDCZODCW-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM COc1ccc(-c2csc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000001397299 563282131 /nfs/dbraw/zinc/28/21/31/563282131.db2.gz ITJJBPNMGRUDRB-UHFFFAOYSA-N -1 0 311.362 4.184 50 0 DIAARM CCCCOc1ccc(Nc2cc(Cl)ccc2C(=O)[O-])cn1 ZINC000001690208 563291372 /nfs/dbraw/zinc/29/13/72/563291372.db2.gz VJFNMPCCIPJOHB-UHFFFAOYSA-N -1 0 320.776 4.356 50 0 DIAARM C[C@H](SCc1nc(=O)c2sccc2[n-]1)c1cccs1 ZINC000071915143 563343208 /nfs/dbraw/zinc/34/32/08/563343208.db2.gz QIZDUFKASVSKNG-QMMMGPOBSA-N -1 0 308.453 4.041 50 0 DIAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1C ZINC000011994581 563360931 /nfs/dbraw/zinc/36/09/31/563360931.db2.gz IYIDPHNTOHLVBH-UHFFFAOYSA-N -1 0 320.772 4.324 50 0 DIAARM O=C([O-])c1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC000012404859 563368907 /nfs/dbraw/zinc/36/89/07/563368907.db2.gz FEIPRGLAUNADNY-UHFFFAOYSA-N -1 0 311.362 4.087 50 0 DIAARM O=C([O-])c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000030834265 563438906 /nfs/dbraw/zinc/43/89/06/563438906.db2.gz HZMVACKSRNVBFH-UHFFFAOYSA-N -1 0 319.282 4.407 50 0 DIAARM CCCCCC[C@@H](O)C[C@H]1O[C@H]1CCCCCCCC(=O)[O-] ZINC000033986119 563446481 /nfs/dbraw/zinc/44/64/81/563446481.db2.gz YKVUWOJSBYPADP-IXDOHACOSA-N -1 0 314.466 4.291 50 0 biogenic DIAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1nc2ccccc2s1 ZINC000000042970 563509277 /nfs/dbraw/zinc/50/92/77/563509277.db2.gz KWIAYRZVWMNTDT-UHFFFAOYSA-N -1 0 309.346 4.084 50 0 DIAARM C[C@]12C[C@@]3(C[C@@H]1O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@H]3CC2 ZINC000004731264 563517503 /nfs/dbraw/zinc/51/75/03/563517503.db2.gz LXNQITSPGGEHPV-JZQPTAQHSA-N -1 0 320.473 4.235 50 0 DIAARM Cc1cc(C)[nH]c(=NN(Cc2ccccc2)c2ccccc2)n1 ZINC000098086601 563523946 /nfs/dbraw/zinc/52/39/46/563523946.db2.gz ZLQOVLDXTJVWOV-UHFFFAOYSA-N -1 0 304.397 4.127 50 0 DIAARM Cc1[n-]n2c(nc(C(C)C)cc2=O)c1-c1cccc2ccccc21 ZINC000106874635 563566147 /nfs/dbraw/zinc/56/61/47/563566147.db2.gz IULCEJWMRHLEAM-UHFFFAOYSA-N -1 0 317.392 4.275 50 0 DIAARM O=C([O-])[C@@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000011823488 563599571 /nfs/dbraw/zinc/59/95/71/563599571.db2.gz FLQQKZNEPRVZNM-ZDUSSCGKSA-N -1 0 323.211 4.367 50 0 DIAARM O=C([O-])c1ccc(CSc2ccc(Br)cc2)o1 ZINC000011888682 563600441 /nfs/dbraw/zinc/60/04/41/563600441.db2.gz HMCJJURNDSYENF-UHFFFAOYSA-N -1 0 313.172 4.033 50 0 DIAARM CC(C)(C)c1cc(=O)n2[n-]cc(-c3ccccc3Cl)c2n1 ZINC000100756894 563600502 /nfs/dbraw/zinc/60/05/02/563600502.db2.gz DNFWRGIMWXSDBX-UHFFFAOYSA-N -1 0 301.777 4.053 50 0 DIAARM O=C([O-])c1cccc(NC(=O)Nc2cccc3ccccc32)c1 ZINC000000147802 563628404 /nfs/dbraw/zinc/62/84/04/563628404.db2.gz IDHDWBYBMVVKKE-UHFFFAOYSA-N -1 0 306.321 4.182 50 0 DIAARM Cc1ccc(Cl)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013249304 563657343 /nfs/dbraw/zinc/65/73/43/563657343.db2.gz NBLFXDOWBIUBAA-UHFFFAOYSA-N -1 0 309.793 4.012 50 0 DIAARM O=C([O-])c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000007604011 563822234 /nfs/dbraw/zinc/82/22/34/563822234.db2.gz BCTHXXAITHJTLW-UHFFFAOYSA-N -1 0 315.127 4.410 50 0 DIAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1ccc(Cl)s1 ZINC000001472301 563838771 /nfs/dbraw/zinc/83/87/71/563838771.db2.gz DJFBKIRXCWDLTA-UHFFFAOYSA-N -1 0 323.826 4.356 50 0 DIAARM O=C([O-])c1cccc(-c2csc(/C=C/c3cccnc3)n2)c1 ZINC000075093208 563859083 /nfs/dbraw/zinc/85/90/83/563859083.db2.gz QETREEUXLUHHPQ-VOTSOKGWSA-N -1 0 308.362 4.074 50 0 DIAARM CC(C)C[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002344549 563926190 /nfs/dbraw/zinc/92/61/90/563926190.db2.gz VZUIUTWVGFSQKE-NWDGAFQWSA-N -1 0 311.809 4.052 50 0 DIAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000002450628 563928960 /nfs/dbraw/zinc/92/89/60/563928960.db2.gz KHNCFOMWTLMZCW-KRWDZBQOSA-N -1 0 302.345 4.220 50 0 DIAARM O=c1c(-c2cccc(Cl)c2)c[n-]n1-c1cccc(Cl)c1 ZINC000003133805 563942346 /nfs/dbraw/zinc/94/23/46/563942346.db2.gz LSRUOHOVDCISNX-UHFFFAOYSA-N -1 0 305.164 4.139 50 0 DIAARM CCc1ccc2c(c1)[C@H]1OCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000030781091 563943781 /nfs/dbraw/zinc/94/37/81/563943781.db2.gz QPVRJALHVJBAIW-IPELMVKDSA-N -1 0 323.392 4.192 50 0 DIAARM O=S(=O)(Nc1ccccc1-c1cccs1)c1ccccc1 ZINC000010512171 563959440 /nfs/dbraw/zinc/95/94/40/563959440.db2.gz YFLOBNWVNJVZMT-UHFFFAOYSA-N -1 0 315.419 4.216 50 0 DIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1 ZINC000025761733 568412813 /nfs/dbraw/zinc/41/28/13/568412813.db2.gz AQDVVQANSHXYSU-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM O=C([O-])c1cc(-c2cccs2)nn1-c1ccc(F)c(Cl)c1 ZINC000025762572 568412825 /nfs/dbraw/zinc/41/28/25/568412825.db2.gz XPPPEWVIXWJJBK-UHFFFAOYSA-N -1 0 322.748 4.092 50 0 DIAARM COc1ccc2nc(/C=C\c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000033879595 1052168211 /nfs/dbraw/zinc/16/82/11/1052168211.db2.gz DHBJDMZEAXGVBB-WTKPLQERSA-N -1 0 311.362 4.174 50 0 DIAARM O=C([O-])/C(=C/c1ccc(Br)cc1)c1cccs1 ZINC000033846538 1052897093 /nfs/dbraw/zinc/89/70/93/1052897093.db2.gz NSNGEGUYVNWOBX-DHZHZOJOSA-N -1 0 309.184 4.136 50 0 DIAARM O=C([O-])c1c2ccccc2nn1Cc1ccc(Cl)cc1Cl ZINC000077010902 185067001 /nfs/dbraw/zinc/06/70/01/185067001.db2.gz MAHJAEVCLMBXDZ-UHFFFAOYSA-N -1 0 321.163 4.090 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])cc(-c3ccc(C)cc3)n2)cc1 ZINC000328579138 231231111 /nfs/dbraw/zinc/23/11/11/231231111.db2.gz UIZXMVACZUZUSN-UHFFFAOYSA-N -1 0 319.360 4.431 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000083328497 185222165 /nfs/dbraw/zinc/22/21/65/185222165.db2.gz XQKZBVGBIMPIMD-YPMHNXCESA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])CSc1cccnc1Sc1ccc(Cl)cc1 ZINC000000481347 190614701 /nfs/dbraw/zinc/61/47/01/190614701.db2.gz AEURKIVOHDGFCS-UHFFFAOYSA-N -1 0 311.815 4.063 50 0 DIAARM COc1ccc(CCC2CCCCC2)cc1C(=O)CCC(=O)[O-] ZINC000071770724 191029885 /nfs/dbraw/zinc/02/98/85/191029885.db2.gz OCLJUJCAEJTJLA-UHFFFAOYSA-N -1 0 318.413 4.256 50 0 DIAARM Cc1ccccc1-c1nc(-c2cccs2)c(CC(=O)[O-])s1 ZINC000071770880 191030249 /nfs/dbraw/zinc/03/02/49/191030249.db2.gz LRNKEPJSNVLJMT-UHFFFAOYSA-N -1 0 315.419 4.474 50 0 DIAARM Cc1cc(C)c2c(-c3oc4ccccc4c3[O-])cc(=O)oc2c1C ZINC000253403778 186307493 /nfs/dbraw/zinc/30/74/93/186307493.db2.gz HKRAGOMFTSSNBL-HXUWFJFHSA-N -1 0 320.344 4.035 50 0 biogenic DIAARM O=C([O-])Cc1ccccc1Sc1cccc(C(F)(F)F)c1 ZINC000000347451 180763745 /nfs/dbraw/zinc/76/37/45/180763745.db2.gz OAHIVACTUGYMGU-UHFFFAOYSA-N -1 0 312.312 4.484 50 0 DIAARM CC(C)Oc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000000442723 180792692 /nfs/dbraw/zinc/79/26/92/180792692.db2.gz NPCGVDZHTOTJGL-UHFFFAOYSA-N -1 0 307.349 4.387 50 0 DIAARM COc1cc2c(C(=O)[O-])c(C)n(CC(C)C)c2c2ccccc12 ZINC000000553937 180820230 /nfs/dbraw/zinc/82/02/30/180820230.db2.gz AZCUVGWVIFHFQJ-UHFFFAOYSA-N -1 0 311.381 4.466 50 0 DIAARM O=C([O-])c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003194992 180990076 /nfs/dbraw/zinc/99/00/76/180990076.db2.gz UILPNUDHADCSRK-UHFFFAOYSA-N -1 0 317.344 4.304 50 0 DIAARM Cc1ccc(C)c(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])c1 ZINC000003651449 181043542 /nfs/dbraw/zinc/04/35/42/181043542.db2.gz MHQAVJOQCUUMFZ-UHFFFAOYSA-N -1 0 313.250 4.302 50 0 DIAARM COc1ccccc1-c1cc(C(=O)[O-])c2ccc(C)c(C)c2n1 ZINC000003756216 181045009 /nfs/dbraw/zinc/04/50/09/181045009.db2.gz PXZWNCZJTRGNPW-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM COc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)[O-])c2c1 ZINC000003757711 181045016 /nfs/dbraw/zinc/04/50/16/181045016.db2.gz IGSJYIRGBRDPTP-UHFFFAOYSA-N -1 0 319.769 4.324 50 0 DIAARM COc1cccc(-c2cc(C(=O)[O-])c3ccc(C)c(C)c3n2)c1 ZINC000003756215 181045108 /nfs/dbraw/zinc/04/51/08/181045108.db2.gz ZGNSSCMRFRROEI-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2cccc(C)c2n1 ZINC000003757815 181045126 /nfs/dbraw/zinc/04/51/26/181045126.db2.gz SODGGCMOUZZXSP-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM O=C([O-])/C=C/c1cccc(OCc2ccc(C(F)(F)F)cc2)c1 ZINC000004105225 181074026 /nfs/dbraw/zinc/07/40/26/181074026.db2.gz ZDEHRRBYIHAIMA-RMKNXTFCSA-N -1 0 322.282 4.382 50 0 DIAARM C[P@](=O)([O-])[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000004119567 181076045 /nfs/dbraw/zinc/07/60/45/181076045.db2.gz YJNSIIVVTCZRLR-MRVPVSSYSA-N -1 0 306.142 4.209 50 0 DIAARM O=C([O-])CCc1c2cc(F)ccc2[nH]c1-c1ccc(F)cc1 ZINC000004218558 181085658 /nfs/dbraw/zinc/08/56/58/181085658.db2.gz WSVINEDXBQGKDE-UHFFFAOYSA-N -1 0 301.292 4.130 50 0 DIAARM C[C@H](Nc1nc(C(F)(F)F)c(C(=O)[O-])s1)c1ccccc1 ZINC000004294493 181093666 /nfs/dbraw/zinc/09/36/66/181093666.db2.gz XQIRHLUYXPQAKF-ZETCQYMHSA-N -1 0 316.304 4.033 50 0 DIAARM CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)[O-])ccc21 ZINC000004674585 181134780 /nfs/dbraw/zinc/13/47/80/181134780.db2.gz XGMVDRHWIYYFKQ-UHFFFAOYSA-N -1 0 324.380 4.008 50 0 DIAARM CCc1cccc(CC)c1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004776665 181151362 /nfs/dbraw/zinc/15/13/62/181151362.db2.gz SEOZVGQCLVFECX-UHFFFAOYSA-N -1 0 312.369 4.154 50 0 DIAARM O=c1oc(-c2ccc(-c3ccccc3)cc2)nc2ccc([O-])cc21 ZINC000004807432 181153868 /nfs/dbraw/zinc/15/38/68/181153868.db2.gz HDUZWMNXQAMROQ-UHFFFAOYSA-N -1 0 315.328 4.228 50 0 DIAARM O=c1cc(-c2ccccc2)[n-]n1-c1cc(Cl)ccc1Cl ZINC000004917622 181172877 /nfs/dbraw/zinc/17/28/77/181172877.db2.gz PBWMTQIVWVZHNG-UHFFFAOYSA-N -1 0 305.164 4.134 50 0 DIAARM O=C([O-])C/C(=C\c1ccsc1)c1nc2ccccc2s1 ZINC000005131019 181207805 /nfs/dbraw/zinc/20/78/05/181207805.db2.gz HPAFOQCFTQHSNS-YRNVUSSQSA-N -1 0 301.392 4.373 50 0 DIAARM CCc1cc2c(nc(C)nc2Nc2cccc(C(=O)[O-])c2)s1 ZINC000005451806 181244671 /nfs/dbraw/zinc/24/46/71/181244671.db2.gz ZGAQBZOUJZQZEY-UHFFFAOYSA-N -1 0 313.382 4.004 50 0 DIAARM Cc1sc2nc(C)nc(Nc3ccc(C(=O)[O-])cc3)c2c1C ZINC000005451264 181244728 /nfs/dbraw/zinc/24/47/28/181244728.db2.gz KBZIASQEFLYAKA-UHFFFAOYSA-N -1 0 313.382 4.058 50 0 DIAARM CC(C)(C)C1CCC(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000005900935 181294283 /nfs/dbraw/zinc/29/42/83/181294283.db2.gz VKCOAMSSDYELOT-UHFFFAOYSA-N -1 0 303.402 4.176 50 0 DIAARM CC[C@@H](C)n1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3 ZINC000006016524 181306144 /nfs/dbraw/zinc/30/61/44/181306144.db2.gz WNVVRBNEHYWVHG-SECBINFHSA-N -1 0 308.472 4.360 50 0 DIAARM O=C([O-])[C@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 ZINC000006550503 181353390 /nfs/dbraw/zinc/35/33/90/181353390.db2.gz KDHATOHQYYFMNE-OAHLLOKOSA-N -1 0 317.797 4.410 50 0 DIAARM O=c1oc2ccccc2c([O-])c1Sc1ccc(Cl)cc1 ZINC000006557777 181354843 /nfs/dbraw/zinc/35/48/43/181354843.db2.gz OVUHGQPLPRDIIM-UHFFFAOYSA-N -1 0 304.754 4.303 50 0 DIAARM CCc1c(C)sc2[n-]c(=S)n(Cc3cccs3)c(=O)c12 ZINC000017056287 182073332 /nfs/dbraw/zinc/07/33/32/182073332.db2.gz XMFOAFNOPQVPPA-UHFFFAOYSA-N -1 0 322.480 4.101 50 0 DIAARM Cc1c(NC(=O)C2(c3ccccc3)CCCC2)cccc1C(=O)[O-] ZINC000018195813 182098143 /nfs/dbraw/zinc/09/81/43/182098143.db2.gz DUSHOWJQWJMRKV-UHFFFAOYSA-N -1 0 323.392 4.144 50 0 DIAARM O=C([O-])c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000020080714 182185149 /nfs/dbraw/zinc/18/51/49/182185149.db2.gz VQKWHIRWRKGTBD-UHFFFAOYSA-N -1 0 311.106 4.079 50 0 DIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3cccc(Cl)c3)c2c1 ZINC000021657758 182282896 /nfs/dbraw/zinc/28/28/96/182282896.db2.gz VCRPCLADPXMPML-UHFFFAOYSA-N -1 0 312.756 4.060 50 0 DIAARM Cc1ccc2nc(NC(=O)c3ccc([O-])c(Cl)c3)sc2c1 ZINC000021799562 182290225 /nfs/dbraw/zinc/29/02/25/182290225.db2.gz KKNBATINRAWWRR-UHFFFAOYSA-N -1 0 318.785 4.216 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(Br)c(Cl)c2)o1 ZINC000098063971 193779808 /nfs/dbraw/zinc/77/98/08/193779808.db2.gz HPZMCZPAIQTDMC-UHFFFAOYSA-N -1 0 301.523 4.061 50 0 DIAARM O=C([O-])C/C(=C/c1ccsc1)c1nc2ccccc2s1 ZINC000028424190 182523255 /nfs/dbraw/zinc/52/32/55/182523255.db2.gz HPAFOQCFTQHSNS-XFFZJAGNSA-N -1 0 301.392 4.373 50 0 DIAARM C[C@H](C(=O)[O-])c1ccc(OCCc2ccccc2)c(Cl)c1 ZINC000043191007 183343353 /nfs/dbraw/zinc/34/33/53/183343353.db2.gz HFCVYKSQWVFTNQ-LBPRGKRZSA-N -1 0 304.773 4.150 50 0 DIAARM CCN(CC)c1ccc(C(=O)CCCCCCC(=O)[O-])cc1 ZINC000043214153 183345418 /nfs/dbraw/zinc/34/54/18/183345418.db2.gz KRLXMKYZRQLFJX-UHFFFAOYSA-N -1 0 305.418 4.141 50 0 DIAARM O=C([O-])c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)on1 ZINC000043573885 183372429 /nfs/dbraw/zinc/37/24/29/183372429.db2.gz UPFLMJBXADQZST-UHFFFAOYSA-N -1 0 315.712 4.486 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000043879350 183388505 /nfs/dbraw/zinc/38/85/05/183388505.db2.gz XQKZBVGBIMPIMD-DGCLKSJQSA-N -1 0 314.303 4.169 50 0 DIAARM CCOc1ccccc1Oc1cc(C(=O)[O-])nc2ccccc21 ZINC000064037978 184292190 /nfs/dbraw/zinc/29/21/90/184292190.db2.gz IGQNPFHSPBVLAF-UHFFFAOYSA-N -1 0 309.321 4.124 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(OCc3ccccc3)cc2)nc1 ZINC000065349152 184326711 /nfs/dbraw/zinc/32/67/11/184326711.db2.gz KXAUSBINFYIFLA-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM CCCCc1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000037450753 563457674 /nfs/dbraw/zinc/45/76/74/563457674.db2.gz UOYBOZZOXRKGCV-UHFFFAOYSA-N -1 0 303.383 4.041 50 0 DIAARM O=C([O-])c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 ZINC000000063037 563212467 /nfs/dbraw/zinc/21/24/67/563212467.db2.gz JWGOKCNYKDSPSK-UHFFFAOYSA-N -1 0 317.344 4.363 50 0 DIAARM O=C([O-])c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000199567 563229753 /nfs/dbraw/zinc/22/97/53/563229753.db2.gz YWWYRZVHAKUVLG-UHFFFAOYSA-N -1 0 317.344 4.304 50 0 DIAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1 ZINC000000373689 563247005 /nfs/dbraw/zinc/24/70/05/563247005.db2.gz JSOCBYFVADJGSD-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM Cc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397576 563282780 /nfs/dbraw/zinc/28/27/80/563282780.db2.gz KWNBDPJHEKVDAW-HNNXBMFYSA-N -1 0 302.757 4.090 50 0 DIAARM Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC000003065164 563321167 /nfs/dbraw/zinc/32/11/67/563321167.db2.gz FVPBWFSOOKRDNO-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM S=c1[n-]nc(CNc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000013483151 563382784 /nfs/dbraw/zinc/38/27/84/563382784.db2.gz KVVWIFYJIJRDIF-UHFFFAOYSA-N -1 0 316.817 4.195 50 0 DIAARM O=C([O-])c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000013586781 563383441 /nfs/dbraw/zinc/38/34/41/563383441.db2.gz JTLQUCGDQKGJMM-UHFFFAOYSA-N -1 0 310.353 4.500 50 0 DIAARM O=c1[nH]c(=S)[n-]c2sc3c(c21)CCC1(CCCCC1)C3 ZINC000017780187 563414549 /nfs/dbraw/zinc/41/45/49/563414549.db2.gz DPMLJMLQCFTONW-UHFFFAOYSA-N -1 0 306.456 4.086 50 0 DIAARM Cc1nc(-c2ccccc2)c2c(=O)cc(-c3ccccc3)nc-2[n-]1 ZINC000000210985 563447048 /nfs/dbraw/zinc/44/70/48/563447048.db2.gz YETDHUHVMRTNLK-UHFFFAOYSA-N -1 0 313.360 4.373 50 0 DIAARM O=C([O-])CC1(CC(=O)c2ccc(Cl)s2)CCCCC1 ZINC000037364762 563457914 /nfs/dbraw/zinc/45/79/14/563457914.db2.gz WKADSFHQRQDZSI-UHFFFAOYSA-N -1 0 300.807 4.400 50 0 DIAARM CCCc1c(C)nc2ccc(OC)cc2c1SCCC(=O)[O-] ZINC000000092323 563528296 /nfs/dbraw/zinc/52/82/96/563528296.db2.gz YAGOTBUSCJEQQF-UHFFFAOYSA-N -1 0 319.426 4.071 50 0 DIAARM CCCCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000103165660 563560491 /nfs/dbraw/zinc/56/04/91/563560491.db2.gz NSISQJJBFFBAJC-UHFFFAOYSA-N -1 0 313.426 4.352 50 0 DIAARM O=C(C=C([O-])c1ccc(Cl)cc1)COc1ccc(Cl)cc1 ZINC000000247846 563581827 /nfs/dbraw/zinc/58/18/27/563581827.db2.gz UYAJHHQGJPLYFM-UHFFFAOYSA-N -1 0 323.175 4.214 50 0 DIAARM O=C([O-])c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 ZINC000000367004 563590706 /nfs/dbraw/zinc/59/07/06/563590706.db2.gz PDGKMDVOKYFYGB-UHFFFAOYSA-N -1 0 314.344 4.391 50 0 DIAARM CCCCOc1ccc(-c2cc3ccc([O-])cc3oc2=O)cc1 ZINC000005309476 563624221 /nfs/dbraw/zinc/62/42/21/563624221.db2.gz DBNDKEOLJUPIAU-UHFFFAOYSA-N -1 0 310.349 4.345 50 0 DIAARM COc1cc(CC(=O)[O-])ccc1OCc1ccc(C(C)C)cc1 ZINC000000395749 563629845 /nfs/dbraw/zinc/62/98/45/563629845.db2.gz VGMPVGWNQGRAMH-UHFFFAOYSA-N -1 0 314.381 4.025 50 0 DIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000000609247 563631736 /nfs/dbraw/zinc/63/17/36/563631736.db2.gz DQVNCYHREDZOCF-UHFFFAOYSA-N -1 0 322.723 4.130 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000011565697 563650251 /nfs/dbraw/zinc/65/02/51/563650251.db2.gz MERQMAIZKXALFF-IRXDYDNUSA-N -1 0 323.392 4.183 50 0 DIAARM CCCCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000012885284 563654046 /nfs/dbraw/zinc/65/40/46/563654046.db2.gz IUUQWSPZQZLVQZ-UHFFFAOYSA-N -1 0 303.402 4.003 50 0 DIAARM Cc1cccc(N[C@@H](c2ccc(C(C)C)cc2)[P@@](=O)([O-])O)c1 ZINC000012526547 563797827 /nfs/dbraw/zinc/79/78/27/563797827.db2.gz XNJSPVRQWUYJHT-QGZVFWFLSA-N -1 0 319.341 4.407 50 0 DIAARM Cc1ccc2cc(CSCCC(=O)[O-])c(Cl)nc2c1C ZINC000012771927 563828537 /nfs/dbraw/zinc/82/85/37/563828537.db2.gz CMSRHNPXFGNQGV-UHFFFAOYSA-N -1 0 309.818 4.213 50 0 DIAARM Cc1c2cccc(F)c2oc1C(=O)Nc1nnc(C(C)C)s1 ZINC000012813961 563836473 /nfs/dbraw/zinc/83/64/73/563836473.db2.gz PWLVAXCTCQKQMC-UHFFFAOYSA-N -1 0 319.361 4.108 50 0 DIAARM CC1CCN(c2nc(-c3ccccc3[O-])nc3ccccc32)CC1 ZINC000100645088 563877553 /nfs/dbraw/zinc/87/75/53/563877553.db2.gz YAGQSKPPRIOIBM-UHFFFAOYSA-N -1 0 319.408 4.239 50 0 DIAARM C[C@@H](c1cc2ccccc2o1)n1c(=O)c2ccccc2[n-]c1=S ZINC000007047231 563901506 /nfs/dbraw/zinc/90/15/06/563901506.db2.gz PWFVELRTGJHEIW-NSHDSACASA-N -1 0 322.389 4.415 50 0 DIAARM Cc1ccc(-c2nc(Nc3ccccc3)sc2CC(=O)[O-])cc1 ZINC000000253235 563920600 /nfs/dbraw/zinc/92/06/00/563920600.db2.gz YLFINKUSEQXUCJ-UHFFFAOYSA-N -1 0 324.405 4.489 50 0 DIAARM O=C([O-])CC[C@]1(Cc2ccccc2)CCCc2ccccc2C1=O ZINC000019899091 563923741 /nfs/dbraw/zinc/92/37/41/563923741.db2.gz YFTLULQELMLVJM-NRFANRHFSA-N -1 0 322.404 4.300 50 0 DIAARM C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000044830435 563923833 /nfs/dbraw/zinc/92/38/33/563923833.db2.gz YQACAXHKQZCEOI-JGFIGGHZSA-N -1 0 316.441 4.219 50 0 DIAARM CSc1cccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000003018336 563941650 /nfs/dbraw/zinc/94/16/50/563941650.db2.gz NMSLMFCVNDBREI-UHFFFAOYSA-N -1 0 310.378 4.399 50 0 DIAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)[O-] ZINC000245239782 563952249 /nfs/dbraw/zinc/95/22/49/563952249.db2.gz MGMOLZNAUACBCR-UBOBUHSGSA-N -1 0 318.457 4.011 50 0 DIAARM CC[C@@H](C(=O)Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC000002850634 568414284 /nfs/dbraw/zinc/41/42/84/568414284.db2.gz VRZCIYJFUWKAOW-CYBMUJFWSA-N -1 0 317.772 4.171 50 0 DIAARM CN1c2ccccc2C(C)(C)/C1=C/C=Nc1ccc(C(=O)[O-])cc1 ZINC000254834483 1036641066 /nfs/dbraw/zinc/64/10/66/1036641066.db2.gz KGGNWESWHZLPMI-WKVOYQFPSA-N -1 0 320.392 4.399 50 0 DIAARM O=c1cc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)[n-]n21 ZINC000100962107 1036996286 /nfs/dbraw/zinc/99/62/86/1036996286.db2.gz NOBJLEUORANENI-UHFFFAOYSA-N -1 0 321.767 4.422 50 0 DIAARM CC(C)C(=O)c1c([O-])c(Cl)cc(Br)c1Cl ZINC000232318560 1038922626 /nfs/dbraw/zinc/92/26/26/1038922626.db2.gz GIXDVKZRJLNKTQ-UHFFFAOYSA-N -1 0 311.990 4.300 50 0 DIAARM O=C(c1ccccc1)c1cc(Br)cc(Cl)c1[O-] ZINC000052068489 1039103207 /nfs/dbraw/zinc/10/32/07/1039103207.db2.gz XCSAGHKKPKXMJR-UHFFFAOYSA-N -1 0 311.562 4.039 50 0 DIAARM O=C([O-])c1ccc2c(C=Cc3nc4ccccc4s3)[nH]nc2c1 ZINC000222048396 1044760640 /nfs/dbraw/zinc/76/06/40/1044760640.db2.gz MWRGSBZGOAHCHB-FPLPWBNLSA-N -1 0 321.361 4.041 50 0 DIAARM Cc1cc(C)c2c(C(C)(C)C)nn(-c3ccc(C(=O)[O-])cc3)c2n1 ZINC000005078282 190620282 /nfs/dbraw/zinc/62/02/82/190620282.db2.gz DHWZBGCMSKBMCV-UHFFFAOYSA-N -1 0 323.396 4.033 50 0 DIAARM Cc1[nH]c2c(cccc2C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1C ZINC000225461207 201713141 /nfs/dbraw/zinc/71/31/41/201713141.db2.gz SKJXTCUWVCMKRN-UHFFFAOYSA-N -1 0 322.364 4.044 50 0 DIAARM COc1cc2c(cc1[S-])[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 ZINC000071770707 191030214 /nfs/dbraw/zinc/03/02/14/191030214.db2.gz DHVCKRJSMNEJFS-SSTWWWIQSA-N -1 0 318.482 4.201 50 0 DIAARM CCCc1c(C)nc2ccc(C)cc2c1SCCC(=O)[O-] ZINC000000036344 180673929 /nfs/dbraw/zinc/67/39/29/180673929.db2.gz UTAJKUYYZOOVTE-UHFFFAOYSA-N -1 0 303.427 4.371 50 0 DIAARM Cc1ccccc1C(=O)Nc1scc(CC(C)C)c1C(=O)[O-] ZINC000000266465 180742650 /nfs/dbraw/zinc/74/26/50/180742650.db2.gz JPYMTYQKHISSPA-UHFFFAOYSA-N -1 0 317.410 4.206 50 0 DIAARM O=C([O-])Cc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000000395686 180776555 /nfs/dbraw/zinc/77/65/55/180776555.db2.gz PIVXCUOLECLHFW-UHFFFAOYSA-N -1 0 311.164 4.200 50 0 DIAARM Cc1ccc(Sc2nc(-c3ccccc3)ncc2C(=O)[O-])cc1 ZINC000001386396 180858501 /nfs/dbraw/zinc/85/85/01/180858501.db2.gz GSDKKWMNQPONEU-UHFFFAOYSA-N -1 0 322.389 4.301 50 0 DIAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000002450629 180924326 /nfs/dbraw/zinc/92/43/26/180924326.db2.gz KHNCFOMWTLMZCW-QGZVFWFLSA-N -1 0 302.345 4.220 50 0 DIAARM O=C(NCCCc1ccccc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000003449681 181021729 /nfs/dbraw/zinc/02/17/29/181021729.db2.gz WIBYOQDQVQJTFA-UHFFFAOYSA-N -1 0 324.207 4.062 50 0 DIAARM CC(=O)c1sc([N-]c2nc3ccc(F)cc3s2)nc1C ZINC000004101973 181073467 /nfs/dbraw/zinc/07/34/67/181073467.db2.gz AZADNRHRHIYHGB-UHFFFAOYSA-N -1 0 307.375 4.147 50 0 DIAARM C[C@@H](Nc1nc(C(F)(F)F)c(C(=O)[O-])s1)c1ccccc1 ZINC000004294494 181093846 /nfs/dbraw/zinc/09/38/46/181093846.db2.gz XQIRHLUYXPQAKF-SSDOTTSWSA-N -1 0 316.304 4.033 50 0 DIAARM O=C([O-])c1cc(C23CC4CC(CC(C4)C2)C3)n(-c2ccccc2)n1 ZINC000004535763 181121171 /nfs/dbraw/zinc/12/11/71/181121171.db2.gz PSWHHSARMITORD-UHFFFAOYSA-N -1 0 322.408 4.038 50 0 DIAARM Cc1sc(N(CC(=O)[O-])c2ccccc2)nc1-c1ccccc1 ZINC000004758363 181148821 /nfs/dbraw/zinc/14/88/21/181148821.db2.gz MCBUJSXZYFELEQ-UHFFFAOYSA-N -1 0 324.405 4.341 50 0 DIAARM Cc1ccc(C2CCCCC2)c(Oc2cnc(C(=O)[O-])cn2)c1 ZINC000074934364 191389625 /nfs/dbraw/zinc/38/96/25/191389625.db2.gz QRCNDJLNNRYICN-UHFFFAOYSA-N -1 0 312.369 4.323 50 0 DIAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000005175416 181213286 /nfs/dbraw/zinc/21/32/86/181213286.db2.gz FVKZYXKVVCHDQM-WEVVVXLNSA-N -1 0 318.756 4.025 50 0 DIAARM O=C([O-])/C(=C/c1ccccc1Br)c1ccccc1 ZINC000006060023 181309428 /nfs/dbraw/zinc/30/94/28/181309428.db2.gz AECKGOZZLFYZDE-JLHYYAGUSA-N -1 0 303.155 4.074 50 0 DIAARM CCCc1occ(-c2cccc(Br)c2)c1C(=O)[O-] ZINC000725246796 563526761 /nfs/dbraw/zinc/52/67/61/563526761.db2.gz XLFMOYUQCJHFIE-UHFFFAOYSA-N -1 0 309.159 4.360 50 0 DIAARM CCc1cc2c(=O)c(-c3ccccc3Cl)coc2cc1[O-] ZINC000006519583 181348920 /nfs/dbraw/zinc/34/89/20/181348920.db2.gz JPGNMZZYCGLJCI-UHFFFAOYSA-N -1 0 300.741 4.381 50 0 DIAARM CCn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccc(F)cc1 ZINC000006648770 181365432 /nfs/dbraw/zinc/36/54/32/181365432.db2.gz ZJQOTYHVESHJHO-UHFFFAOYSA-N -1 0 320.414 4.255 50 0 DIAARM CCc1csc(C)c1C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000008132247 181529327 /nfs/dbraw/zinc/52/93/27/181529327.db2.gz BZTAZQGPXCPQFI-UHFFFAOYSA-N -1 0 323.801 4.223 50 0 DIAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)C1CCCC1 ZINC000012600644 181781679 /nfs/dbraw/zinc/78/16/79/181781679.db2.gz QNXZWXQGETVXEV-UHFFFAOYSA-N -1 0 315.394 4.242 50 0 DIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C1(c2ccccc2)CCCC1 ZINC000013169925 181836127 /nfs/dbraw/zinc/83/61/27/181836127.db2.gz QAKWMFQTDGHLBM-UHFFFAOYSA-N -1 0 323.392 4.144 50 0 DIAARM CC(C)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013249099 181839080 /nfs/dbraw/zinc/83/90/80/181839080.db2.gz GNBQQWZYTSKIHL-UHFFFAOYSA-N -1 0 303.402 4.174 50 0 DIAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)C(=O)[O-])O2 ZINC000021983147 182301679 /nfs/dbraw/zinc/30/16/79/182301679.db2.gz QWPNLVBAEZJBMI-JEOXALJRSA-N -1 0 320.429 4.292 50 0 endogenous,in-man DIAARM O=C1CCCCC1=C([O-])c1ccc(OCc2ccccc2)cc1 ZINC000101361207 193812357 /nfs/dbraw/zinc/81/23/57/193812357.db2.gz JYSNUUODTFTCJB-GOSISDBHSA-N -1 0 308.377 4.208 50 0 DIAARM CSc1ccc(C(=O)CCCCCC(=O)[O-])c(Cl)c1 ZINC000043214175 183344804 /nfs/dbraw/zinc/34/48/04/183344804.db2.gz IHHLESXVGQGYIH-UHFFFAOYSA-N -1 0 300.807 4.280 50 0 DIAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000043879488 183388564 /nfs/dbraw/zinc/38/85/64/183388564.db2.gz RENRMPYCHNGXOQ-CMPLNLGQSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])c1cnc(/C=C/c2csc(-c3ccsc3)n2)s1 ZINC000058391592 184111417 /nfs/dbraw/zinc/11/14/17/184111417.db2.gz KHFTUERUENUSRD-OWOJBTEDSA-N -1 0 320.420 4.197 50 0 DIAARM Cc1onc(-c2ccc(Oc3ccc(F)cc3)cc2)c1C(=O)[O-] ZINC000328578977 534594506 /nfs/dbraw/zinc/59/45/06/534594506.db2.gz DAJZEHUIXARHNW-UHFFFAOYSA-N -1 0 313.284 4.280 50 0 DIAARM S=c1[n-]nc(Cc2c[nH]c3ccccc23)n1-c1ccccc1 ZINC000000003569 563211091 /nfs/dbraw/zinc/21/10/91/563211091.db2.gz KWXJFDXNNYPOGY-UHFFFAOYSA-N -1 0 306.394 4.002 50 0 DIAARM O=C(c1ccccc1)c1cc(Cl)cc(Br)c1[O-] ZINC000000058214 563212142 /nfs/dbraw/zinc/21/21/42/563212142.db2.gz DAACDYIERDIOLH-UHFFFAOYSA-N -1 0 311.562 4.039 50 0 DIAARM O=C(Nc1ccc(F)cc1F)c1cc(Cl)cc(Cl)c1[O-] ZINC000000139849 563222611 /nfs/dbraw/zinc/22/26/11/563222611.db2.gz FPEMTYJQLMEJHY-UHFFFAOYSA-N -1 0 318.106 4.230 50 0 DIAARM CC[C@H](c1ccccc1)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000390814 563249157 /nfs/dbraw/zinc/24/91/57/563249157.db2.gz DDGVQXSIAHQHDZ-HIFRSBDPSA-N -1 0 312.365 4.124 50 0 DIAARM CC(C)c1ccc([C@@H](CC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000000405988 563251455 /nfs/dbraw/zinc/25/14/55/563251455.db2.gz ZSGDEWVFOQDGRZ-QGZVFWFLSA-N -1 0 314.356 4.390 50 0 DIAARM O=C(Nc1ccccc1)Nc1ccc2[n-]c(=S)sc2c1 ZINC000000407627 563252188 /nfs/dbraw/zinc/25/21/88/563252188.db2.gz UDWJUXKVIVSDBS-UHFFFAOYSA-N -1 0 301.396 4.229 50 0 DIAARM CC[C@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000409671 563252191 /nfs/dbraw/zinc/25/21/91/563252191.db2.gz UOFZNTZCBKYMPM-GUYCJALGSA-N -1 0 312.365 4.124 50 0 DIAARM O=C([O-])c1ccc(Nc2nc(-c3cccs3)cs2)cc1O ZINC000000612911 563269351 /nfs/dbraw/zinc/26/93/51/563269351.db2.gz XELJZBKGWKBZBK-UHFFFAOYSA-N -1 0 318.379 4.019 50 0 DIAARM Cc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397575 563282722 /nfs/dbraw/zinc/28/27/22/563282722.db2.gz KWNBDPJHEKVDAW-OAHLLOKOSA-N -1 0 302.757 4.090 50 0 DIAARM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000002507852 563305322 /nfs/dbraw/zinc/30/53/22/563305322.db2.gz LJFJPDHXAWVDSA-DVOMOZLQSA-N -1 0 304.386 4.002 50 0 DIAARM CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)[O-])c2c1 ZINC000002525950 563307780 /nfs/dbraw/zinc/30/77/80/563307780.db2.gz HVBSFINYLDLHJC-UHFFFAOYSA-N -1 0 307.349 4.171 50 0 DIAARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1-c1ccc(Cl)cc1 ZINC000008830195 563350640 /nfs/dbraw/zinc/35/06/40/563350640.db2.gz ZUYRUNKZVZVHHE-UHFFFAOYSA-N -1 0 319.191 4.448 50 0 DIAARM Cc1cc(-c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)c(C)s1 ZINC000009256651 563353092 /nfs/dbraw/zinc/35/30/92/563353092.db2.gz MNCMXNMCWCOWST-UHFFFAOYSA-N -1 0 315.398 4.056 50 0 DIAARM O=C([O-])CCc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000011824614 563359781 /nfs/dbraw/zinc/35/97/81/563359781.db2.gz SXLMWFLXPKZOOQ-UHFFFAOYSA-N -1 0 321.170 4.259 50 0 DIAARM C[C@H](CP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000012383572 563419158 /nfs/dbraw/zinc/41/91/58/563419158.db2.gz NRDTVRKGLXUAGR-OAHLLOKOSA-N -1 0 316.337 4.471 50 0 DIAARM Clc1cccc([N-]c2nnc(-c3ccncc3)o2)c1Cl ZINC000027752970 563429523 /nfs/dbraw/zinc/42/95/23/563429523.db2.gz FGKUTQMCIJJYHO-UHFFFAOYSA-N -1 0 307.140 4.182 50 0 DIAARM Cc1ccc2[nH]c(C(=O)[O-])c(-c3[nH]cnc3-c3ccccc3)c2c1 ZINC000067692840 563489483 /nfs/dbraw/zinc/48/94/83/563489483.db2.gz QJHKEQSIRBFEMR-UHFFFAOYSA-N -1 0 317.348 4.232 50 0 DIAARM O=C([O-])c1c(-c2cccc(Br)c2)coc1C(F)F ZINC000725245247 563526145 /nfs/dbraw/zinc/52/61/45/563526145.db2.gz BKNJXGPUTYIKHM-UHFFFAOYSA-N -1 0 317.085 4.345 50 0 DIAARM Cc1cc(=O)n(-c2nc(-c3ccc4ccccc4c3)cs2)[n-]1 ZINC000000125474 563571432 /nfs/dbraw/zinc/57/14/32/563571432.db2.gz BWEPPDYGLGQGBE-UHFFFAOYSA-N -1 0 307.378 4.076 50 0 DIAARM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000000227497 563580009 /nfs/dbraw/zinc/58/00/09/563580009.db2.gz JEPUAHUXSPFPNB-UHFFFAOYSA-N -1 0 317.410 4.305 50 0 DIAARM CC(C)c1ccc(O[C@H](C(=O)[O-])C(C)C)c(Br)c1 ZINC000011891640 563601358 /nfs/dbraw/zinc/60/13/58/563601358.db2.gz FAPARIXBAXREGH-ZDUSSCGKSA-N -1 0 315.207 4.061 50 0 DIAARM Cc1ccc(Cn2c(=O)c3ccc(Cl)cc3[n-]c2=S)cc1 ZINC000000425262 563612920 /nfs/dbraw/zinc/61/29/20/563612920.db2.gz BXUBVGQHTUAIPI-UHFFFAOYSA-N -1 0 316.813 4.069 50 0 DIAARM CC(C)(C)c1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000151368 563617815 /nfs/dbraw/zinc/61/78/15/563617815.db2.gz SLTINGZNTJSCOW-UHFFFAOYSA-N -1 0 312.369 4.326 50 0 DIAARM CC(=O)C[C@@H](c1ccccc1)c1c([O-])c2ccccc2sc1=O ZINC000003149495 563637656 /nfs/dbraw/zinc/63/76/56/563637656.db2.gz KRMBKNSOMHWYFC-HNNXBMFYSA-N -1 0 324.401 4.078 50 0 DIAARM CC(=O)C[C@H](c1ccccc1)c1c([O-])c2ccccc2sc1=O ZINC000003149496 563637805 /nfs/dbraw/zinc/63/78/05/563637805.db2.gz KRMBKNSOMHWYFC-OAHLLOKOSA-N -1 0 324.401 4.078 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000011565696 563650098 /nfs/dbraw/zinc/65/00/98/563650098.db2.gz MERQMAIZKXALFF-DLBZAZTESA-N -1 0 323.392 4.183 50 0 DIAARM Cc1c(Cl)cccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000013250337 563657713 /nfs/dbraw/zinc/65/77/13/563657713.db2.gz CNGPXXGPMRUGGV-UHFFFAOYSA-N -1 0 309.793 4.012 50 0 DIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc2ccccc2c1 ZINC000013170093 563657835 /nfs/dbraw/zinc/65/78/35/563657835.db2.gz UMYBHEHWYKOYAL-UHFFFAOYSA-N -1 0 319.360 4.028 50 0 DIAARM CCOC(=O)C=C([O-])c1ccc(C)cc1C=Cc1ccccc1 ZINC000575372174 563851401 /nfs/dbraw/zinc/85/14/01/563851401.db2.gz DJAVAZTYGBLZES-ZHACJKMWSA-N -1 0 308.377 4.301 50 0 DIAARM Cc1ccc(C(=S)S[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000075261116 563862277 /nfs/dbraw/zinc/86/22/77/563862277.db2.gz TZMDGXBNSVOHKR-AWEZNQCLSA-N -1 0 302.420 4.230 50 0 DIAARM C[C@@H]1C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N2[C@@H](C)c2ccccc21 ZINC000002146183 563916006 /nfs/dbraw/zinc/91/60/06/563916006.db2.gz KOXAUIJMWHCIOC-BWACUDIHSA-N -1 0 321.376 4.150 50 0 biogenic DIAARM Cc1ccccc1NC(=O)C[C@@H](C)[C@H](CCC(C)C)C(=O)[O-] ZINC000002306687 563925848 /nfs/dbraw/zinc/92/58/48/563925848.db2.gz BIVPKPIKICYZDK-CABCVRRESA-N -1 0 305.418 4.097 50 0 DIAARM O=C([O-])c1cccc(-c2csc(/C=C\c3cccnc3)n2)c1 ZINC000096055516 563935248 /nfs/dbraw/zinc/93/52/48/563935248.db2.gz QETREEUXLUHHPQ-SREVYHEPSA-N -1 0 308.362 4.074 50 0 DIAARM O=C([O-])c1cnc(/C=C\c2csc(-c3ccsc3)n2)s1 ZINC000096402159 563936634 /nfs/dbraw/zinc/93/66/34/563936634.db2.gz KHFTUERUENUSRD-UPHRSURJSA-N -1 0 320.420 4.197 50 0 DIAARM O=C([O-])c1c(F)c(F)c(F)c(F)c1-c1ccc(Cl)cc1 ZINC000002904984 563941075 /nfs/dbraw/zinc/94/10/75/563941075.db2.gz RJXLTQYHRAKXCJ-UHFFFAOYSA-N -1 0 304.626 4.262 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000002945298 563941293 /nfs/dbraw/zinc/94/12/93/563941293.db2.gz CGJKOWLPAZYPHW-MSOLQXFVSA-N -1 0 323.392 4.183 50 0 DIAARM Cc1sc([N-]c2ncccn2)nc1-c1ccc(F)c(C)c1 ZINC000067322014 563949031 /nfs/dbraw/zinc/94/90/31/563949031.db2.gz VEXUGZNKWVAUHD-UHFFFAOYSA-N -1 0 300.362 4.100 50 0 DIAARM Cc1sc([N-]c2ncccn2)nc1-c1ccc(Cl)cc1 ZINC000067322047 563949059 /nfs/dbraw/zinc/94/90/59/563949059.db2.gz CLDAUBMXPODOKG-UHFFFAOYSA-N -1 0 302.790 4.306 50 0 DIAARM O=c1nc(CSCc2ccccc2Cl)[n-]c2ccsc21 ZINC000009377416 563955581 /nfs/dbraw/zinc/95/55/81/563955581.db2.gz CUIQHUJPPSIYGZ-UHFFFAOYSA-N -1 0 322.842 4.071 50 0 DIAARM CCCC(=O)c1c([O-])c(Cl)cc(Br)c1Cl ZINC000232318555 1038922793 /nfs/dbraw/zinc/92/27/93/1038922793.db2.gz HNQPXHKGOKWYEW-UHFFFAOYSA-N -1 0 311.990 4.444 50 0 DIAARM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc2c(c1)OCO2 ZINC000254550555 1042090549 /nfs/dbraw/zinc/09/05/49/1042090549.db2.gz RLFCTBSMTWGMNX-UHFFFAOYSA-N -1 0 310.136 4.178 50 0 DIAARM Cc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(Cl)c2)o1 ZINC000254602121 1042092415 /nfs/dbraw/zinc/09/24/15/1042092415.db2.gz ZEMFQZVLHKAFSP-UHFFFAOYSA-N -1 0 318.789 4.045 50 0 DIAARM Cc1c(-c2ccccc2)[n-]n2c1nc(-c1ccccc1)cc2=O ZINC000106896134 1042253024 /nfs/dbraw/zinc/25/30/24/1042253024.db2.gz UDJWOKWYVITRSI-UHFFFAOYSA-N -1 0 301.349 4.077 50 0 DIAARM Nc1c(C(=O)[O-])sc2nc(C3CC3)cc(-c3ccccc3)c12 ZINC000022590930 1042468586 /nfs/dbraw/zinc/46/85/86/1042468586.db2.gz QCGWPMHRJYRFPB-UHFFFAOYSA-N -1 0 310.378 4.121 50 0 DIAARM O=C([O-])c1ccc(NN=Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000015953102 1042597558 /nfs/dbraw/zinc/59/75/58/1042597558.db2.gz KOQCCYWRYRBRBA-UHFFFAOYSA-N -1 0 316.360 4.498 50 0 DIAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000000612987 1056447235 /nfs/dbraw/zinc/44/72/35/1056447235.db2.gz BAMDXTGFLCPWDQ-UHFFFAOYSA-N -1 0 314.341 4.391 50 0 DIAARM CC(=O)c1ccc(-n2ccnc2-c2ccc([O-])c(Cl)c2)cc1 ZINC000082097672 192355831 /nfs/dbraw/zinc/35/58/31/192355831.db2.gz YESJJVSIKPADGE-UHFFFAOYSA-N -1 0 312.756 4.101 50 0 DIAARM O=C(Nc1ccc(F)cc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097032249 185399471 /nfs/dbraw/zinc/39/94/71/185399471.db2.gz FLRJUCGRUSKKOK-UHFFFAOYSA-N -1 0 315.131 4.482 50 0 DIAARM Cc1cccc(CSCCOc2ccc(C(=O)[O-])cc2)c1 ZINC000095470848 185372621 /nfs/dbraw/zinc/37/26/21/185372621.db2.gz RKBGGZPGILWJNM-UHFFFAOYSA-N -1 0 302.395 4.005 50 0 DIAARM O=C([O-])c1ccccc1[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072173967 191069574 /nfs/dbraw/zinc/06/95/74/191069574.db2.gz GGRUQXDFXVCIAL-CYBMUJFWSA-N -1 0 315.800 4.028 50 0 DIAARM Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000613607 180829188 /nfs/dbraw/zinc/82/91/88/180829188.db2.gz LKPBBFAJPOKZSN-UHFFFAOYSA-N -1 0 321.332 4.206 50 0 DIAARM Cc1cccc(Oc2nc(-c3ccccc3)ncc2C(=O)[O-])c1C ZINC000001404975 180862499 /nfs/dbraw/zinc/86/24/99/180862499.db2.gz BUAKMFBGWYVGCD-UHFFFAOYSA-N -1 0 320.348 4.251 50 0 DIAARM CC(C)C[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002344550 180920272 /nfs/dbraw/zinc/92/02/72/180920272.db2.gz VZUIUTWVGFSQKE-NEPJUHHUSA-N -1 0 311.809 4.052 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1ccc(Br)cc1 ZINC000002378607 180921945 /nfs/dbraw/zinc/92/19/45/180921945.db2.gz BBUMZWMHERNNPI-UHFFFAOYSA-N -1 0 313.191 4.057 50 0 DIAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003328368 181006084 /nfs/dbraw/zinc/00/60/84/181006084.db2.gz DQOMHXWBOSARSW-UHFFFAOYSA-N -1 0 322.238 4.164 50 0 DIAARM O=C([O-])c1ccc(Cl)c(NC(=O)CCC2CCCCC2)c1 ZINC000003287843 181001110 /nfs/dbraw/zinc/00/11/10/181001110.db2.gz JCWUBXPGYFKQAI-UHFFFAOYSA-N -1 0 309.793 4.337 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)cc(C)cc3n2)cc1 ZINC000003756939 181045567 /nfs/dbraw/zinc/04/55/67/181045567.db2.gz FUGWGYHTXVNMDM-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM O=C([O-])CC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003898102 181054205 /nfs/dbraw/zinc/05/42/05/181054205.db2.gz XMSJLUKCGWQAHO-UHFFFAOYSA-N -1 0 302.373 4.496 50 0 DIAARM Cc1csc(C(=O)[O-])c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004104992 181073496 /nfs/dbraw/zinc/07/34/96/181073496.db2.gz MDYZUGFCURFTFV-UHFFFAOYSA-N -1 0 317.410 4.305 50 0 DIAARM Cc1c(-c2ccccn2)c(=O)[n-]n1-c1ccc(Cl)c(Cl)c1 ZINC000004053854 181067284 /nfs/dbraw/zinc/06/72/84/181067284.db2.gz SBWCQTDNVXSCPA-UHFFFAOYSA-N -1 0 320.179 4.255 50 0 DIAARM Fc1ccc2nc([N-]c3nnc(-c4ccccc4)o3)sc2c1 ZINC000004137799 181077962 /nfs/dbraw/zinc/07/79/62/181077962.db2.gz CPRXGLJWCDKSRH-UHFFFAOYSA-N -1 0 312.329 4.229 50 0 DIAARM O=C([O-])CCCc1c2cc(Cl)ccc2[nH]c1-c1ccccn1 ZINC000004137076 181078054 /nfs/dbraw/zinc/07/80/54/181078054.db2.gz MUIXYUDVORYTMQ-UHFFFAOYSA-N -1 0 314.772 4.291 50 0 DIAARM CC1=C(C)C[C@@H](C(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC000004702080 181139931 /nfs/dbraw/zinc/13/99/31/181139931.db2.gz KLMGMFWVIBKJKG-IAGOWNOFSA-N -1 0 323.392 4.226 50 0 DIAARM CCCCc1c(C)nc2c(OC)cccc2c1SCC(=O)[O-] ZINC000004825504 181158213 /nfs/dbraw/zinc/15/82/13/181158213.db2.gz HFTGYICHDHHCTL-UHFFFAOYSA-N -1 0 319.426 4.071 50 0 DIAARM O=[P@@H]([O-])C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004974702 181181870 /nfs/dbraw/zinc/18/18/70/181181870.db2.gz VWMYGNLTQGJPDQ-UHFFFAOYSA-N -1 0 308.317 4.446 50 0 DIAARM O=C([O-])C/C(=C\c1cccc(F)c1)c1nc2ccccc2s1 ZINC000005131008 181208058 /nfs/dbraw/zinc/20/80/58/181208058.db2.gz NBLARXWEORGJIG-XYOKQWHBSA-N -1 0 313.353 4.451 50 0 DIAARM Cc1nc2c3ccccc3oc2c(Nc2cccc(C(=O)[O-])c2)n1 ZINC000005243968 181221078 /nfs/dbraw/zinc/22/10/78/181221078.db2.gz NORZKZDJAXJQSC-UHFFFAOYSA-N -1 0 319.320 4.126 50 0 DIAARM Cc1c([O-])ccc2c(=O)c(Oc3ccc(Cl)cc3)coc12 ZINC000005955544 181300563 /nfs/dbraw/zinc/30/05/63/181300563.db2.gz WHGRADATGMNABZ-UHFFFAOYSA-N -1 0 302.713 4.253 50 0 biogenic DIAARM O=C([O-])[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006241778 181321846 /nfs/dbraw/zinc/32/18/46/181321846.db2.gz LKYIHPPZXXNCHJ-AWEZNQCLSA-N -1 0 307.176 4.384 50 0 DIAARM O=S(=O)([N-]c1cccc2ccccc21)c1ccccc1Cl ZINC000006315932 181329583 /nfs/dbraw/zinc/32/95/83/181329583.db2.gz WRBYFKSALAFGLM-UHFFFAOYSA-N -1 0 317.797 4.294 50 0 DIAARM COc1cccc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000006897893 181403439 /nfs/dbraw/zinc/40/34/39/181403439.db2.gz ZRGBDJYFPMFVML-MDZDMXLPSA-N -1 0 305.333 4.112 50 0 DIAARM CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000008729553 181579424 /nfs/dbraw/zinc/57/94/24/181579424.db2.gz BCECNGJHVCWMOD-PKNBQFBNSA-N -1 0 314.337 4.001 50 0 DIAARM O=C([O-])C/C(=C/c1ccccc1F)c1nc2ccccc2s1 ZINC000012791293 181798405 /nfs/dbraw/zinc/79/84/05/181798405.db2.gz XRJYDEOXLXMHJM-XFXZXTDPSA-N -1 0 313.353 4.451 50 0 DIAARM Fc1ccc(COc2cccc(-c3n[n-]c(=S)o3)c2)cc1 ZINC000013545441 181860792 /nfs/dbraw/zinc/86/07/92/181860792.db2.gz HTDYANBDNKDDTD-UHFFFAOYSA-N -1 0 302.330 4.117 50 0 DIAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1cccc2ccccc21 ZINC000015952224 182026001 /nfs/dbraw/zinc/02/60/01/182026001.db2.gz VTAHIDKDIQLUCX-UHFFFAOYSA-N -1 0 320.348 4.490 50 0 DIAARM Cc1ccc(O)c(Nc2c(C(=O)[O-])cnc3c(C)cc(C)cc32)c1 ZINC000019795557 182150995 /nfs/dbraw/zinc/15/09/95/182150995.db2.gz LSNSCNVSSCDTRS-UHFFFAOYSA-N -1 0 322.364 4.307 50 0 DIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3cc(C)cc(C)c3)c2c1 ZINC000021657791 182282613 /nfs/dbraw/zinc/28/26/13/182282613.db2.gz ROZSMYMNPPGWKS-UHFFFAOYSA-N -1 0 306.365 4.024 50 0 DIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(C)c(C)c3)c2c1 ZINC000021657760 182282660 /nfs/dbraw/zinc/28/26/60/182282660.db2.gz OAXXREISDOMACF-UHFFFAOYSA-N -1 0 306.365 4.024 50 0 DIAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000100449799 193799691 /nfs/dbraw/zinc/79/96/91/193799691.db2.gz RPFUTUFNRZCWPB-PHIMTYICSA-N -1 0 314.303 4.169 50 0 DIAARM C[C@@H](CC(=O)[O-])c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000036040018 182793890 /nfs/dbraw/zinc/79/38/90/182793890.db2.gz JPMVLMBCHRXPLT-NSHDSACASA-N -1 0 303.358 4.003 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000043879348 183388589 /nfs/dbraw/zinc/38/85/89/183388589.db2.gz ZPIWCRNJAWHXTF-ZWNOBZJWSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])CCC/C(=C/c1cccnc1)c1nc2ccccc2s1 ZINC000058382275 184111161 /nfs/dbraw/zinc/11/11/61/184111161.db2.gz ZZXAJWKJEWIGQC-KAMYIIQDSA-N -1 0 324.405 4.487 50 0 DIAARM FC(F)(F)c1cc(Br)cc2sc(=S)[n-]c21 ZINC000065337241 184325080 /nfs/dbraw/zinc/32/50/80/184325080.db2.gz YHVSJNXHRWSYML-UHFFFAOYSA-N -1 0 314.151 4.366 50 0 DIAARM O=C([O-])c1ncc(C(F)(F)F)cc1Sc1ccc(F)cc1 ZINC000390822285 257230799 /nfs/dbraw/zinc/23/07/99/257230799.db2.gz YIXJCEFISAJFJX-UHFFFAOYSA-N -1 0 317.263 4.089 50 0 DIAARM CCCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002323857 563925989 /nfs/dbraw/zinc/92/59/89/563925989.db2.gz BZTSMNIIIDBIHN-RYUDHWBXSA-N -1 0 311.809 4.196 50 0 DIAARM O=C([O-])CCSc1nc2ccccc2n1C1CCCCC1 ZINC000000267144 563234699 /nfs/dbraw/zinc/23/46/99/563234699.db2.gz QPHBYFQFLMXRFV-UHFFFAOYSA-N -1 0 304.415 4.108 50 0 DIAARM CC(=O)C(Cc1c(F)cccc1Cl)=C([O-])c1ccccc1 ZINC000001392566 563281983 /nfs/dbraw/zinc/28/19/83/563281983.db2.gz XVHGTAGUTNSKIF-ZDUSSCGKSA-N -1 0 304.748 4.110 50 0 DIAARM O=C([O-])c1cccc2cccc(Sc3ccccc3CO)c21 ZINC000000133937 563222114 /nfs/dbraw/zinc/22/21/14/563222114.db2.gz HXMFSIRALZHCDC-UHFFFAOYSA-N -1 0 310.374 4.182 50 0 DIAARM Cc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000000345888 563242609 /nfs/dbraw/zinc/24/26/09/563242609.db2.gz GUNSTMJVFNEAIB-UHFFFAOYSA-N -1 0 303.427 4.093 50 0 DIAARM CC(C)Oc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000000395719 563249874 /nfs/dbraw/zinc/24/98/74/563249874.db2.gz BOBXQZTYVFGNSB-UHFFFAOYSA-N -1 0 319.788 4.438 50 0 DIAARM CC(C)Oc1ccccc1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000000442812 563254286 /nfs/dbraw/zinc/25/42/86/563254286.db2.gz BDVQVUNFKGDLKC-UHFFFAOYSA-N -1 0 307.349 4.387 50 0 DIAARM [O-]c1c(Br)cc(Br)c2ccccc12 ZINC000001693346 563292097 /nfs/dbraw/zinc/29/20/97/563292097.db2.gz PSGUDVJPEWTBRM-UHFFFAOYSA-N -1 0 301.965 4.070 50 0 DIAARM CSc1ccc(-c2cc(C(=O)[O-])nn2C2CCCCC2)cc1 ZINC000002527288 563307713 /nfs/dbraw/zinc/30/77/13/563307713.db2.gz TZHYZJQKVGXCMO-UHFFFAOYSA-N -1 0 316.426 4.475 50 0 DIAARM Cc1cccc(OP(=O)([O-])Oc2cccc(C)c2C)c1C ZINC000002981329 563318753 /nfs/dbraw/zinc/31/87/53/563318753.db2.gz TYMZLIDQEUWXEL-UHFFFAOYSA-N -1 0 306.298 4.478 50 0 DIAARM O=C([O-])c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 ZINC000006744091 563334000 /nfs/dbraw/zinc/33/40/00/563334000.db2.gz FPCDSWNFZGRAOI-UHFFFAOYSA-N -1 0 314.344 4.391 50 0 DIAARM Cc1ccc(-c2nc(-c3ccccc3)sc2CC(=O)[O-])cc1 ZINC000011885800 563360119 /nfs/dbraw/zinc/36/01/19/563360119.db2.gz SVHRHIAVTBGMID-UHFFFAOYSA-N -1 0 309.390 4.413 50 0 DIAARM CC[C@H](C)Nc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000013127706 563378847 /nfs/dbraw/zinc/37/88/47/563378847.db2.gz NVUNWZYFZHBYIH-LBPRGKRZSA-N -1 0 323.396 4.221 50 0 DIAARM Cc1ccc(C)c(-n2c(CNc3ccccc3)n[n-]c2=S)c1 ZINC000026439423 563425880 /nfs/dbraw/zinc/42/58/80/563425880.db2.gz YMRVANJZASEGOY-UHFFFAOYSA-N -1 0 310.426 4.159 50 0 DIAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(F)cc1Cl ZINC000034927118 563451823 /nfs/dbraw/zinc/45/18/23/563451823.db2.gz BXCIJVXPFHZBEZ-UHFFFAOYSA-N -1 0 324.735 4.155 50 0 DIAARM O=C([O-])c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 ZINC000036378526 563454758 /nfs/dbraw/zinc/45/47/58/563454758.db2.gz STNPNMLROBHPNY-UHFFFAOYSA-N -1 0 307.305 4.364 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1F ZINC000038068710 563459487 /nfs/dbraw/zinc/45/94/87/563459487.db2.gz DXQMHEDXKLQLAS-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM O=C([O-])/C=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000033317410 563519886 /nfs/dbraw/zinc/51/98/86/563519886.db2.gz HQWLODFCSDJKCI-ALCCZGGFSA-N -1 0 306.720 4.156 50 0 DIAARM Cc1oc2ccc(OCc3ccc(F)cc3)cc2c1C(=O)[O-] ZINC000000096575 563531247 /nfs/dbraw/zinc/53/12/47/563531247.db2.gz NSXWRVUOIRMWCK-UHFFFAOYSA-N -1 0 300.285 4.158 50 0 DIAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(Br)cc1 ZINC000100758610 563553418 /nfs/dbraw/zinc/55/34/18/563553418.db2.gz HYRCVWDIUZJCAK-UHFFFAOYSA-N -1 0 315.170 4.007 50 0 DIAARM CCOc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2C)cc1 ZINC000000205049 563578004 /nfs/dbraw/zinc/57/80/04/563578004.db2.gz VEPFYLLRLZROFV-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM CCOc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000215774 563578757 /nfs/dbraw/zinc/57/87/57/563578757.db2.gz JVQKJZWMTKNYRH-UHFFFAOYSA-N -1 0 308.337 4.075 50 0 DIAARM O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2ccccc2c1 ZINC000000335830 563588672 /nfs/dbraw/zinc/58/86/72/563588672.db2.gz MXPQZLLZPPVBMB-UHFFFAOYSA-N -1 0 317.797 4.294 50 0 DIAARM CCCCCCOc1cccc(-c2nc(C(=O)[O-])cs2)c1 ZINC000011887330 563600756 /nfs/dbraw/zinc/60/07/56/563600756.db2.gz PHZQADCLMOBFKT-UHFFFAOYSA-N -1 0 305.399 4.467 50 0 DIAARM O=C([O-])c1ccc(CSc2cc(-c3ccccc3)ncn2)cc1 ZINC000012016929 563603714 /nfs/dbraw/zinc/60/37/14/563603714.db2.gz WXJQBYLTYYDEKK-UHFFFAOYSA-N -1 0 322.389 4.134 50 0 DIAARM O=C(c1coc2ccc([O-])c(Br)c12)c1ccccc1 ZINC000000491369 563649942 /nfs/dbraw/zinc/64/99/42/563649942.db2.gz GMICKFYHUFZDFO-UHFFFAOYSA-N -1 0 317.138 4.132 50 0 DIAARM O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc([O-])c(Cl)c1 ZINC000049371830 563700706 /nfs/dbraw/zinc/70/07/06/563700706.db2.gz URRAHUGKTXPMMX-WZUFQYTHSA-N -1 0 306.148 4.192 50 0 DIAARM [O-]c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000215850403 563707308 /nfs/dbraw/zinc/70/73/08/563707308.db2.gz MOKDTOWNIUAFBN-UHFFFAOYSA-N -1 0 315.170 4.007 50 0 DIAARM [O-]c1cn(-c2ccc(Br)cc2)nc1-c1ccccc1 ZINC000215849653 563707321 /nfs/dbraw/zinc/70/73/21/563707321.db2.gz LKXUFBZICZZYGA-UHFFFAOYSA-N -1 0 315.170 4.007 50 0 DIAARM O=C([O-])c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000007603913 563822217 /nfs/dbraw/zinc/82/22/17/563822217.db2.gz GXDFCBRSHSCNKV-UHFFFAOYSA-N -1 0 315.127 4.410 50 0 DIAARM CCCCNc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000002264339 563921016 /nfs/dbraw/zinc/92/10/16/563921016.db2.gz RBBTXKKNRMBCTF-UHFFFAOYSA-N -1 0 323.396 4.223 50 0 DIAARM O=C([O-])CC[C@@]1(Cc2ccccc2)CCCc2ccccc2C1=O ZINC000019899090 563923760 /nfs/dbraw/zinc/92/37/60/563923760.db2.gz YFTLULQELMLVJM-OAQYLSRUSA-N -1 0 322.404 4.300 50 0 DIAARM O=C([O-])c1sccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000167585305 563924306 /nfs/dbraw/zinc/92/43/06/563924306.db2.gz PDRXHOZUZAQQRJ-UHFFFAOYSA-N -1 0 323.679 4.306 50 0 DIAARM CCCCc1c(C)c2ccccc2nc1SCCC(=O)[O-] ZINC000002304509 563925798 /nfs/dbraw/zinc/92/57/98/563925798.db2.gz UHLGMYVRSGJKSX-UHFFFAOYSA-N -1 0 303.427 4.453 50 0 DIAARM O=C([O-])/C(=C\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000002333976 563925917 /nfs/dbraw/zinc/92/59/17/563925917.db2.gz HLSYUHBGWCNCMX-VURMDHGXSA-N -1 0 314.209 4.007 50 0 DIAARM CCCCc1c(C)c2cc(C)ccc2nc1SCC(=O)[O-] ZINC000002340854 563926180 /nfs/dbraw/zinc/92/61/80/563926180.db2.gz KZCPEVLJWAACMT-UHFFFAOYSA-N -1 0 303.427 4.371 50 0 DIAARM COc1ccc(-c2nc(=S)[nH]cc2-c2ccccc2)c(O)c1 ZINC000011869531 563928493 /nfs/dbraw/zinc/92/84/93/563928493.db2.gz HEMUKQUHIGDWNJ-UHFFFAOYSA-N -1 0 310.378 4.187 50 0 DIAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1Cl ZINC000003048603 563941786 /nfs/dbraw/zinc/94/17/86/563941786.db2.gz WOFXQNKQYCNGNM-LBPRGKRZSA-N -1 0 323.175 4.435 50 0 DIAARM C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000038563736 563948674 /nfs/dbraw/zinc/94/86/74/563948674.db2.gz KAYYIYDHRSEWHR-CZSQDQQPSA-N -1 0 320.473 4.091 50 0 biogenic DIAARM O=C([O-])c1cccc(NC(=O)c2cc3cc(Cl)ccc3o2)c1 ZINC000008849453 563950926 /nfs/dbraw/zinc/95/09/26/563950926.db2.gz UMELINFXRHXIBA-UHFFFAOYSA-N -1 0 315.712 4.037 50 0 DIAARM O=C1NC(=S)SC1=Cc1csc(-c2ccsc2)n1 ZINC000049065657 568415688 /nfs/dbraw/zinc/41/56/88/568415688.db2.gz OEZABFQGMCLDFW-FPYGCLRLSA-N -1 0 310.450 4.201 50 0 DIAARM O=C([O-])Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl ZINC000002383046 574411821 /nfs/dbraw/zinc/41/18/21/574411821.db2.gz KGVXVPRLBMWZLG-UHFFFAOYSA-N -1 0 312.152 4.070 50 0 endogenous,world DIAARM Oc1c(Br)ccc2c(Br)cccc12 ZINC000071477587 1053690126 /nfs/dbraw/zinc/69/01/26/1053690126.db2.gz KETYKDGSSCRTQQ-UHFFFAOYSA-N -1 0 301.965 4.070 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579652 1055973277 /nfs/dbraw/zinc/97/32/77/1055973277.db2.gz ZPIWCRNJAWHXTF-GWCFXTLKSA-N -1 0 314.303 4.169 50 0 DIAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)[O-] ZINC000253524947 1056322306 /nfs/dbraw/zinc/32/23/06/1056322306.db2.gz MGMOLZNAUACBCR-RPYXOJERSA-N -1 0 318.457 4.011 50 0 DIAARM C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000000034073 180673120 /nfs/dbraw/zinc/67/31/20/180673120.db2.gz MFJVYXLNZAGCGM-GFCCVEGCSA-N -1 0 324.405 4.309 50 0 DIAARM O=c1oc2cc([O-])ccc2cc1-c1nc(-c2ccccc2)cs1 ZINC000000273821 180745506 /nfs/dbraw/zinc/74/55/06/180745506.db2.gz GDFNPWUPKKJPJB-UHFFFAOYSA-N -1 0 321.357 4.289 50 0 DIAARM O=C([O-])c1ccccc1NCn1c2ccccc2sc1=S ZINC000000394034 180775974 /nfs/dbraw/zinc/77/59/74/180775974.db2.gz VDHLXPKGMXLEFH-UHFFFAOYSA-N -1 0 316.407 4.200 50 0 in-vitro DIAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000000469907 180800727 /nfs/dbraw/zinc/80/07/27/180800727.db2.gz VBCAXCFQQGIYOR-UHFFFAOYSA-N -1 0 300.116 4.090 50 0 DIAARM O=C([O-])c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1 ZINC000001400616 180861623 /nfs/dbraw/zinc/86/16/23/180861623.db2.gz UZOPBERKDRZFLE-UHFFFAOYSA-N -1 0 324.283 4.075 50 0 DIAARM Cc1ccccc1NC(=O)C[C@@H](C)[C@@H](CCC(C)C)C(=O)[O-] ZINC000002306685 180919175 /nfs/dbraw/zinc/91/91/75/180919175.db2.gz BIVPKPIKICYZDK-HUUCEWRRSA-N -1 0 305.418 4.097 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000002549352 180934592 /nfs/dbraw/zinc/93/45/92/180934592.db2.gz OOAGKEQGSBZWNV-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM S=c1[n-]nc(SCc2c(Cl)cccc2Cl)s1 ZINC000003426814 181018357 /nfs/dbraw/zinc/01/83/57/181018357.db2.gz LIJIYFUJPCLRFW-UHFFFAOYSA-N -1 0 309.268 4.426 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cccs1)CC2 ZINC000003885018 181052464 /nfs/dbraw/zinc/05/24/64/181052464.db2.gz WTCZJNWYQUOWKW-ZHACJKMWSA-N -1 0 307.374 4.481 50 0 DIAARM COc1ccc2nc([N-]c3nnc(-c4ccccc4)o3)sc2c1 ZINC000004137760 181078220 /nfs/dbraw/zinc/07/82/20/181078220.db2.gz XWCNIMAFVFVVCY-UHFFFAOYSA-N -1 0 324.365 4.099 50 0 DIAARM COc1ccc2sc([N-]c3nc(C)c(C(C)=O)s3)nc2c1 ZINC000004359824 181102902 /nfs/dbraw/zinc/10/29/02/181102902.db2.gz QYHGAJTWQBAXAO-UHFFFAOYSA-N -1 0 319.411 4.016 50 0 DIAARM O=C([O-])c1ccccc1C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000004557359 181124738 /nfs/dbraw/zinc/12/47/38/181124738.db2.gz FUZUOCJBOXIBGS-MAUKXSAKSA-N -1 0 324.376 4.268 50 0 DIAARM Cc1ccc(Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000005570955 181258443 /nfs/dbraw/zinc/25/84/43/181258443.db2.gz NTWYNVZAEAJJPV-UHFFFAOYSA-N -1 0 324.405 4.489 50 0 DIAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000005601798 181262231 /nfs/dbraw/zinc/26/22/31/181262231.db2.gz UFWQMIYTFJVLOX-LBPRGKRZSA-N -1 0 307.390 4.140 50 0 DIAARM CCc1cc2c(=O)c(-c3ccc(Cl)cc3)coc2cc1[O-] ZINC000005686754 181272251 /nfs/dbraw/zinc/27/22/51/181272251.db2.gz NKFUWFJYZVCCAU-UHFFFAOYSA-N -1 0 300.741 4.381 50 0 biogenic DIAARM C[C@]12C[C@@]3(C[C@H]1O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@H]3CC2 ZINC000005696856 181273478 /nfs/dbraw/zinc/27/34/78/181273478.db2.gz LXNQITSPGGEHPV-DNUFPCGRSA-N -1 0 320.473 4.235 50 0 DIAARM O=C([O-])c1cccnc1SCc1ccc(Cl)cc1Cl ZINC000006220402 181320328 /nfs/dbraw/zinc/32/03/28/181320328.db2.gz ITXQECLEJIOKIM-UHFFFAOYSA-N -1 0 314.193 4.379 50 0 DIAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000006599081 181359512 /nfs/dbraw/zinc/35/95/12/181359512.db2.gz RYAGDVMGCKBDED-UHFFFAOYSA-N -1 0 315.847 4.326 50 0 DIAARM N#Cc1ccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3o2)cc1 ZINC000096295926 193610291 /nfs/dbraw/zinc/61/02/91/193610291.db2.gz XWQDCYRJVRCTDR-RVDMUPIBSA-N -1 0 318.332 4.105 50 0 DIAARM Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1C(=O)[O-] ZINC000096404591 193620625 /nfs/dbraw/zinc/62/06/25/193620625.db2.gz HFTUFZKFAJSWEO-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM CCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000017053427 182071745 /nfs/dbraw/zinc/07/17/45/182071745.db2.gz DYZBVEYQKNNFER-DLBZAZTESA-N -1 0 315.413 4.025 50 0 DIAARM O=C1NC(=S)SC1=Cc1cc(Cl)c([O-])c(Cl)c1 ZINC000017124084 182076391 /nfs/dbraw/zinc/07/63/91/182076391.db2.gz GSJQEDCPPJYLPN-CLTKARDFSA-N -1 0 306.195 4.028 50 0 DIAARM O=C([O-])c1cc(NC(=O)CCC2CCCCC2)ccc1Cl ZINC000018194095 182098046 /nfs/dbraw/zinc/09/80/46/182098046.db2.gz ONKJCHPKWIKELA-UHFFFAOYSA-N -1 0 309.793 4.337 50 0 DIAARM CCC[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1 ZINC000023732717 182367518 /nfs/dbraw/zinc/36/75/18/182367518.db2.gz HRAAKBANKIWTNR-HNNXBMFYSA-N -1 0 303.789 4.317 50 0 DIAARM O=c1c2c([n-]n1-c1ccc(Cl)cc1)-c1ccccc1SC2 ZINC000027979140 182501371 /nfs/dbraw/zinc/50/13/71/182501371.db2.gz JUINMUAIPTYUBI-UHFFFAOYSA-N -1 0 314.797 4.092 50 0 DIAARM Cc1ccc(-c2c/c(=N\CC(=O)[O-])c3cc(C)cc(C)c3o2)cc1 ZINC000101094438 193808257 /nfs/dbraw/zinc/80/82/57/193808257.db2.gz VNONFFWYMIQVSN-HEHNFIMWSA-N -1 0 321.376 4.010 50 0 DIAARM O=C([O-])c1ccc(Oc2cccc(C(F)(F)F)c2Cl)o1 ZINC000040451281 183067980 /nfs/dbraw/zinc/06/79/80/183067980.db2.gz JGBBEDOGDOMTJG-UHFFFAOYSA-N -1 0 306.623 4.442 50 0 DIAARM CCOc1ccc([C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000041531117 183197909 /nfs/dbraw/zinc/19/79/09/183197909.db2.gz PIPVOAAZJRJMEK-INIZCTEOSA-N -1 0 304.773 4.345 50 0 DIAARM Cc1ccc(COc2ccc(C(=O)[O-])cc2Br)cc1 ZINC000007603885 256521379 /nfs/dbraw/zinc/52/13/79/256521379.db2.gz QNBSVFWKHFHGGQ-UHFFFAOYSA-N -1 0 321.170 4.035 50 0 DIAARM O=C([O-])c1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1 ZINC000390822244 257230756 /nfs/dbraw/zinc/23/07/56/257230756.db2.gz BUSWDCPGNZHGKB-UHFFFAOYSA-N -1 0 317.650 4.244 50 0 DIAARM Cc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000000044419 563211672 /nfs/dbraw/zinc/21/16/72/563211672.db2.gz IEIVEWHOYWOARU-QGZVFWFLSA-N -1 0 314.406 4.122 50 0 DIAARM O=C([O-])c1ccc(NCn2c3ccccc3sc2=S)cc1 ZINC000000393966 563249932 /nfs/dbraw/zinc/24/99/32/563249932.db2.gz DKDLNTQSYSQOAY-UHFFFAOYSA-N -1 0 316.407 4.200 50 0 DIAARM CC(C)(C)[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000399629 563250868 /nfs/dbraw/zinc/25/08/68/563250868.db2.gz UPWSUJLPHMLCFF-MRXNPFEDSA-N -1 0 312.365 4.329 50 0 DIAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3Cl)n2)cc1 ZINC000000732378 563271878 /nfs/dbraw/zinc/27/18/78/563271878.db2.gz LIWDFAGCOUCDSP-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM O=C([O-])COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001719215 563293393 /nfs/dbraw/zinc/29/33/93/563293393.db2.gz OBEUDXCKNSDQIL-UHFFFAOYSA-N -1 0 324.374 4.417 50 0 DIAARM Cc1sc2ncnc(Sc3ccccc3C(=O)[O-])c2c1C ZINC000003267906 563324027 /nfs/dbraw/zinc/32/40/27/563324027.db2.gz TZPXEPYUAQIFRO-UHFFFAOYSA-N -1 0 316.407 4.158 50 0 DIAARM CCC(=O)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 ZINC000009481076 563353604 /nfs/dbraw/zinc/35/36/04/563353604.db2.gz KNJUDVCKPLWVGZ-UHFFFAOYSA-N -1 0 310.353 4.111 50 0 DIAARM O=c1oc2cc([O-])ccc2cc1-c1ccc(OC(F)(F)F)cc1 ZINC000011765878 563359114 /nfs/dbraw/zinc/35/91/14/563359114.db2.gz REVYWRKLEWXJDD-UHFFFAOYSA-N -1 0 322.238 4.064 50 0 biogenic DIAARM O=C([O-])/C=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000011887055 563360187 /nfs/dbraw/zinc/36/01/87/563360187.db2.gz ZWZJPAXAXHPLPG-BAQGIRSFSA-N -1 0 306.720 4.156 50 0 DIAARM CCCCCCOc1ccc(Br)cc1C(=O)[O-] ZINC000011953215 563361054 /nfs/dbraw/zinc/36/10/54/563361054.db2.gz QHRNNKWZVDZLRA-UHFFFAOYSA-N -1 0 301.180 4.106 50 0 DIAARM CCCCCC[C@@H](O)C[C@@H]1O[C@H]1CCCCCCCC(=O)[O-] ZINC000033986121 563446331 /nfs/dbraw/zinc/44/63/31/563446331.db2.gz YKVUWOJSBYPADP-IKGGRYGDSA-N -1 0 314.466 4.291 50 0 biogenic DIAARM O=C([O-])c1sc2ccc(C(F)(F)F)cc2c1-n1cccc1 ZINC000044676337 563462518 /nfs/dbraw/zinc/46/25/18/563462518.db2.gz IAMCYQRQUVLIDU-UHFFFAOYSA-N -1 0 311.284 4.409 50 0 DIAARM CCc1cc2c(cc1[O-])occ(-c1nc3ccccc3s1)c2=O ZINC000000044168 563512037 /nfs/dbraw/zinc/51/20/37/563512037.db2.gz RNNAZOQXNOLIGU-UHFFFAOYSA-N -1 0 323.373 4.338 50 0 biogenic DIAARM CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C(=O)[O-])c3)c2c1 ZINC000085838444 563521183 /nfs/dbraw/zinc/52/11/83/563521183.db2.gz UXBBLKRKAQOOOV-UHFFFAOYSA-N -1 0 322.364 4.384 50 0 DIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1ccccc1Cl ZINC000100072257 563545959 /nfs/dbraw/zinc/54/59/59/563545959.db2.gz ZRMMOPSMZLNOPT-UHFFFAOYSA-N -1 0 316.763 4.270 50 0 DIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1ccccc1 ZINC000100129769 563546512 /nfs/dbraw/zinc/54/65/12/563546512.db2.gz XGBYIUNVTNKRDX-UHFFFAOYSA-N -1 0 321.405 4.087 50 0 DIAARM O=c1c2cc(F)ccc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000000425291 563613155 /nfs/dbraw/zinc/61/31/55/563613155.db2.gz CGHMMOJMZBHXRJ-UHFFFAOYSA-N -1 0 304.390 4.089 50 0 DIAARM O=C([O-])c1cc(-c2ccc(OC(F)(F)F)cc2)c(F)s1 ZINC000149406954 563619389 /nfs/dbraw/zinc/61/93/89/563619389.db2.gz VBDLCAVTDDUKMQ-UHFFFAOYSA-N -1 0 306.236 4.151 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000011565698 563650318 /nfs/dbraw/zinc/65/03/18/563650318.db2.gz MERQMAIZKXALFF-IAGOWNOFSA-N -1 0 323.392 4.183 50 0 DIAARM Cc1nc2c(-c3ccccc3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000101761045 563657291 /nfs/dbraw/zinc/65/72/91/563657291.db2.gz XSPDPQSNRBXFQP-UHFFFAOYSA-N -1 0 315.376 4.001 50 0 DIAARM O=C([O-])c1cccnc1SCc1cccc(C(F)(F)F)c1 ZINC000013188582 563657385 /nfs/dbraw/zinc/65/73/85/563657385.db2.gz ZZELLHXCVQSQMC-UHFFFAOYSA-N -1 0 313.300 4.091 50 0 DIAARM CC(C)(C)c1cc(Br)c([O-])c(Br)c1 ZINC000001621046 563863675 /nfs/dbraw/zinc/86/36/75/563863675.db2.gz RZYQECXFRLRRJY-UHFFFAOYSA-N -1 0 308.013 4.215 50 0 DIAARM COc1cccc(NC(=S)[N-]c2ccccc2SC)c1 ZINC000007529909 563907988 /nfs/dbraw/zinc/90/79/88/563907988.db2.gz WADZYWAYCMMDFJ-UHFFFAOYSA-N -1 0 304.440 4.226 50 0 DIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000012605814 563928742 /nfs/dbraw/zinc/92/87/42/563928742.db2.gz SGEQASDUFSCGGD-ZDUSSCGKSA-N -1 0 319.426 4.010 50 0 DIAARM Cc1cccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000003100565 563942129 /nfs/dbraw/zinc/94/21/29/563942129.db2.gz QIXOBPHQXYDPAS-UHFFFAOYSA-N -1 0 316.209 4.103 50 0 DIAARM O=c1c(-c2ccc(Cl)cc2)c[n-]n1-c1cccc(Cl)c1 ZINC000003133801 563942240 /nfs/dbraw/zinc/94/22/40/563942240.db2.gz KKORPSPKPJBLEP-UHFFFAOYSA-N -1 0 305.164 4.139 50 0 DIAARM Cn1c(C(=O)[O-])ccc1-c1cc(C(F)(F)F)ccc1Cl ZINC000067299919 563948763 /nfs/dbraw/zinc/94/87/63/563948763.db2.gz YSAZPCYNXFTXJR-UHFFFAOYSA-N -1 0 303.667 4.063 50 0 DIAARM CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000009550347 563956769 /nfs/dbraw/zinc/95/67/69/563956769.db2.gz MXEKFSNKTBPDKV-UHFFFAOYSA-N -1 0 321.785 4.012 50 0 DIAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1cccc2ccccc21 ZINC000071280902 563957926 /nfs/dbraw/zinc/95/79/26/563957926.db2.gz OBDNBXQQCHNAGE-GFCCVEGCSA-N -1 0 324.361 4.118 50 0 DIAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1cccc2ccccc21 ZINC000071280901 563958027 /nfs/dbraw/zinc/95/80/27/563958027.db2.gz OBDNBXQQCHNAGE-LBPRGKRZSA-N -1 0 324.361 4.118 50 0 DIAARM O=C([O-])c1ccc(N=NC=C(Cl)Cc2ccccc2)cc1 ZINC000003524945 1044668755 /nfs/dbraw/zinc/66/87/55/1044668755.db2.gz HMKBRWINRLTVHQ-CKDOMMIBSA-N -1 0 300.745 4.062 50 0 DIAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(C3CC3)c2)c1 ZINC000656250604 1046381457 /nfs/dbraw/zinc/38/14/57/1046381457.db2.gz IOLJCQFFVJTADW-LBPRGKRZSA-N -1 0 309.365 4.004 50 0 DIAARM O=C([O-])C/C(=C/c1cccc(F)c1)c1nc2ccccc2s1 ZINC000028495904 1049686224 /nfs/dbraw/zinc/68/62/24/1049686224.db2.gz NBLARXWEORGJIG-WQLSENKSSA-N -1 0 313.353 4.451 50 0 DIAARM Cc1sc(/C=C\c2cccc(OC(C)C)c2)nc1C(=O)[O-] ZINC000577829788 1050956903 /nfs/dbraw/zinc/95/69/03/1050956903.db2.gz GTYAKCIYWZZURQ-FPLPWBNLSA-N -1 0 303.383 4.107 50 0 DIAARM CN(CC[C@@H]1CCCCO1)Cc1c(Cl)ccc([O-])c1Cl ZINC000952977418 1051124055 /nfs/dbraw/zinc/12/40/55/1051124055.db2.gz QJTJGUSKRROJNC-NSHDSACASA-N -1 0 318.244 4.090 50 0 DIAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])c2c[nH]c3ccccc32)c(C)c1 ZINC001248504259 1059858550 /nfs/dbraw/zinc/85/85/50/1059858550.db2.gz HGUYAIJBXSQXGV-INIZCTEOSA-N -1 0 321.376 4.226 50 0 DIAARM COc1cc(C(=O)[O-])ccc1OCc1ccc(C(C)C)cc1 ZINC000013420133 190637803 /nfs/dbraw/zinc/63/78/03/190637803.db2.gz QIYDFSRLGZAHAO-UHFFFAOYSA-N -1 0 300.354 4.096 50 0 DIAARM O=C([O-])[C@@H](Sc1nc2ccccc2s1)c1ccccc1 ZINC000000114430 180697105 /nfs/dbraw/zinc/69/71/05/180697105.db2.gz FRLJULJKYFHNSH-ZDUSSCGKSA-N -1 0 301.392 4.214 50 0 DIAARM COc1cccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526028 180932016 /nfs/dbraw/zinc/93/20/16/180932016.db2.gz XCOJVNBQMOUPER-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM Cc1ccc(C[C@@H](SCc2ccccc2)C(=O)[O-])cc1C ZINC000003351146 181010432 /nfs/dbraw/zinc/01/04/32/181010432.db2.gz MWSHUOPFKCDYQP-QGZVFWFLSA-N -1 0 300.423 4.233 50 0 DIAARM Fc1cccc2sc([N-]c3nnc(-c4ccccc4)o3)nc21 ZINC000004035688 181065171 /nfs/dbraw/zinc/06/51/71/181065171.db2.gz MAIVGXFDCUKMFV-UHFFFAOYSA-N -1 0 312.329 4.229 50 0 aggregator DIAARM COc1ccc2nc([N-]c3nc4c(s3)CCCC4)sc2c1 ZINC000004137725 181077765 /nfs/dbraw/zinc/07/77/65/181077765.db2.gz ACSPLHJBBXVIAC-UHFFFAOYSA-N -1 0 317.439 4.384 50 0 DIAARM O=C([O-])c1cc(Nc2nc(-c3cccs3)cs2)ccc1O ZINC000004688520 181137078 /nfs/dbraw/zinc/13/70/78/181137078.db2.gz DZCZPUXWNBBLDX-UHFFFAOYSA-N -1 0 318.379 4.019 50 0 DIAARM CCCc1ccc([C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000005046441 181196562 /nfs/dbraw/zinc/19/65/62/181196562.db2.gz DTCWCNORLHUNLF-CYBMUJFWSA-N -1 0 312.365 4.255 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccco1 ZINC000005414254 181240671 /nfs/dbraw/zinc/24/06/71/181240671.db2.gz JEPMFTHJOIMUBS-QXMHVHEDSA-N -1 0 305.333 4.403 50 0 DIAARM CCc1oc2cc([O-])ccc2c(=O)c1Oc1cc(C)cc(C)c1 ZINC000005686718 181271690 /nfs/dbraw/zinc/27/16/90/181271690.db2.gz WFOZHXIZZMCPFM-UHFFFAOYSA-N -1 0 310.349 4.470 50 0 DIAARM Cc1ccc(OCCn2cc(C(=O)[O-])c3ccccc32)cc1C ZINC000006721552 181376760 /nfs/dbraw/zinc/37/67/60/181376760.db2.gz CBTWKPMJFZKNPO-UHFFFAOYSA-N -1 0 309.365 4.035 50 0 DIAARM O=C([O-])c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000006721554 181376768 /nfs/dbraw/zinc/37/67/68/181376768.db2.gz HESQYIAZLYUHLB-UHFFFAOYSA-N -1 0 315.756 4.072 50 0 DIAARM CCc1ccc(-c2cn3c4ccc(C(=O)[O-])cc4sc3n2)cc1 ZINC000006750997 181383049 /nfs/dbraw/zinc/38/30/49/181383049.db2.gz OUFIJNRNQMHIEX-UHFFFAOYSA-N -1 0 322.389 4.477 50 0 DIAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(Cl)c(Cl)c1 ZINC000006775555 181386890 /nfs/dbraw/zinc/38/68/90/181386890.db2.gz UAUJEDNZFSNBHJ-UHFFFAOYSA-N -1 0 305.164 4.139 50 0 DIAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(Cl)s2)c1 ZINC000009550352 181629291 /nfs/dbraw/zinc/62/92/91/181629291.db2.gz LPRYLHBNRWIDSY-UHFFFAOYSA-N -1 0 316.165 4.005 50 0 DIAARM O=C([O-])c1ccccc1NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000013302871 181841984 /nfs/dbraw/zinc/84/19/84/181841984.db2.gz GLGYXZBVRJIMGJ-UHFFFAOYSA-N -1 0 315.712 4.037 50 0 DIAARM O=C([O-])c1ccccc1SCc1ccccc1Br ZINC000019485340 182125278 /nfs/dbraw/zinc/12/52/78/182125278.db2.gz ASOWTPFUZXEJRM-UHFFFAOYSA-N -1 0 323.211 4.440 50 0 DIAARM O=C([O-])Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl ZINC000022060327 182307187 /nfs/dbraw/zinc/30/71/87/182307187.db2.gz VNQURRWYKFZKJZ-UHFFFAOYSA-N -1 0 312.152 4.070 50 0 world DIAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000100449817 193799881 /nfs/dbraw/zinc/79/98/81/193799881.db2.gz YFQPCWHDWXMIFZ-PHIMTYICSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])c1cc2c(cccc2OCc2ccc(Cl)cc2)[nH]1 ZINC000040352031 183056167 /nfs/dbraw/zinc/05/61/67/183056167.db2.gz XZHGAOIMMHDLOQ-UHFFFAOYSA-N -1 0 301.729 4.099 50 0 DIAARM O=C([O-])c1cc2c(cccc2OCc2cccc(Cl)c2)[nH]1 ZINC000040352029 183056265 /nfs/dbraw/zinc/05/62/65/183056265.db2.gz YVTPCSOMOPZVDF-UHFFFAOYSA-N -1 0 301.729 4.099 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000040449474 183068467 /nfs/dbraw/zinc/06/84/67/183068467.db2.gz ZBRGFWLFMFHGGR-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM CC(C)Oc1ccc(COc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000043190961 183343855 /nfs/dbraw/zinc/34/38/55/183343855.db2.gz VRUFKQUHBMLDFJ-UHFFFAOYSA-N -1 0 320.772 4.404 50 0 DIAARM O=C([O-])c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1 ZINC000043206271 183344458 /nfs/dbraw/zinc/34/44/58/183344458.db2.gz TXEIIPDJKFWEEC-UHFFFAOYSA-N -1 0 308.120 4.500 50 0 world DIAARM O=C([O-])CCCCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000043214188 183345321 /nfs/dbraw/zinc/34/53/21/183345321.db2.gz NLCIUNDGVLLIJW-UHFFFAOYSA-N -1 0 309.576 4.475 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000043879420 183388566 /nfs/dbraw/zinc/38/85/66/183388566.db2.gz XQKZBVGBIMPIMD-WCQYABFASA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])c1ncccc1-c1ccc(OCc2ccccc2)cc1 ZINC000065349153 184326514 /nfs/dbraw/zinc/32/65/14/184326514.db2.gz QMPVJJDRLXMTGS-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM O=C([O-])c1cc(F)cc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000065354783 184327479 /nfs/dbraw/zinc/32/74/79/184327479.db2.gz OYEIABJVEIPIER-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM Cc1onc(-c2ccc(Oc3ccc(C)cc3)cc2)c1C(=O)[O-] ZINC000328578934 534594704 /nfs/dbraw/zinc/59/47/04/534594704.db2.gz AAHCSGOSNFOIEM-UHFFFAOYSA-N -1 0 309.321 4.449 50 0 DIAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1Cl ZINC000007402389 563906157 /nfs/dbraw/zinc/90/61/57/563906157.db2.gz ULDVWSPTXSTRQH-UHFFFAOYSA-N -1 0 322.238 4.164 50 0 DIAARM O=C([O-])c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc21 ZINC000000001632 563211140 /nfs/dbraw/zinc/21/11/40/563211140.db2.gz WDRYRZXSPDWGEB-UHFFFAOYSA-N -1 0 321.163 4.090 50 0 world DIAARM O=C(c1cc(Br)ccc1[O-])c1ccccc1Cl ZINC000000058215 563212154 /nfs/dbraw/zinc/21/21/54/563212154.db2.gz JTYCQJZUXZTAEK-UHFFFAOYSA-N -1 0 311.562 4.039 50 0 DIAARM Cc1cc(C)c(C(=O)C=C([O-])c2ccccc2Cl)c(O)c1 ZINC000000078615 563214073 /nfs/dbraw/zinc/21/40/73/563214073.db2.gz PLDZLVPRRLTYPO-UHFFFAOYSA-N -1 0 302.757 4.118 50 0 DIAARM O=c1cc(-c2cccc(C(F)(F)F)c2)c2ccc(O)cc2o1 ZINC000000153919 563225218 /nfs/dbraw/zinc/22/52/18/563225218.db2.gz VWKFVRVGEBQAQP-UHFFFAOYSA-N -1 0 306.239 4.184 50 0 DIAARM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1 ZINC000000332919 563241433 /nfs/dbraw/zinc/24/14/33/563241433.db2.gz KROZZNJSPUEKDD-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000000395554 563249896 /nfs/dbraw/zinc/24/98/96/563249896.db2.gz ZEKKAEAOTSMLNW-CYBMUJFWSA-N -1 0 319.360 4.029 50 0 DIAARM c1sc([N-]c2ncccn2)nc1-c1ccc2ccccc2c1 ZINC000000613476 563269446 /nfs/dbraw/zinc/26/94/46/563269446.db2.gz UXPSCBKPRNMVSD-UHFFFAOYSA-N -1 0 304.378 4.497 50 0 DIAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000001397582 563282664 /nfs/dbraw/zinc/28/26/64/563282664.db2.gz QRFWYVKMJFYDEZ-AWEZNQCLSA-N -1 0 323.175 4.435 50 0 DIAARM CCc1cccc2c(C(=O)[O-])cc(-c3cccc(OC)c3)nc12 ZINC000002525988 563307887 /nfs/dbraw/zinc/30/78/87/563307887.db2.gz YBNFZHSPUJMXNC-UHFFFAOYSA-N -1 0 307.349 4.171 50 0 DIAARM CCCc1c(C)nc2c(Cl)cccc2c1SCC(=O)[O-] ZINC000002942829 563318341 /nfs/dbraw/zinc/31/83/41/563318341.db2.gz GYDHEVRYABOFTE-UHFFFAOYSA-N -1 0 309.818 4.326 50 0 DIAARM O=C([O-])c1sc2cccc(F)c2c1COc1ccccc1 ZINC000008939703 563351551 /nfs/dbraw/zinc/35/15/51/563351551.db2.gz DEPBHAFMNBOKGD-UHFFFAOYSA-N -1 0 302.326 4.318 50 0 DIAARM Cc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(Cl)cc1Cl ZINC000009134336 563352350 /nfs/dbraw/zinc/35/23/50/563352350.db2.gz DIHVMMINEXSMCT-UHFFFAOYSA-N -1 0 308.168 4.026 50 0 DIAARM O=C([O-])Cc1csc(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000011959137 563360754 /nfs/dbraw/zinc/36/07/54/563360754.db2.gz KMRBMZSXNNJSPY-UHFFFAOYSA-N -1 0 311.362 4.230 50 0 DIAARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000013391055 563381292 /nfs/dbraw/zinc/38/12/92/563381292.db2.gz YULKJOUJAKKKJY-UHFFFAOYSA-N -1 0 311.381 4.243 50 0 DIAARM CC(=O)c1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21 ZINC000013682040 563385827 /nfs/dbraw/zinc/38/58/27/563385827.db2.gz SOAJWQTXGIBMHP-UHFFFAOYSA-N -1 0 314.724 4.022 50 0 DIAARM Cc1[nH]n([C@@H](C)C2CC2)c2nc(-c3ccc([O-])c(Cl)c3)nc1-2 ZINC000020452127 563416939 /nfs/dbraw/zinc/41/69/39/563416939.db2.gz ATMIHQVLOYRGSM-VIFPVBQESA-N -1 0 316.792 4.065 50 0 DIAARM Cc1ccc(-n2c(CNc3ccccc3)n[n-]c2=S)cc1C ZINC000026439427 563425714 /nfs/dbraw/zinc/42/57/14/563425714.db2.gz LXQZHMWPPKWKHK-UHFFFAOYSA-N -1 0 310.426 4.159 50 0 DIAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)[n-]n21 ZINC000100574116 563551831 /nfs/dbraw/zinc/55/18/31/563551831.db2.gz BMMJYASRPSXIDJ-UHFFFAOYSA-N -1 0 321.767 4.422 50 0 DIAARM Cc1cc(C)c(C(=O)CSc2ccccc2C(=O)[O-])c(C)c1 ZINC000000240053 563580447 /nfs/dbraw/zinc/58/04/47/563580447.db2.gz IDSYYHDMTOUQTO-UHFFFAOYSA-N -1 0 314.406 4.285 50 0 DIAARM Cc1ccc(C([O-])=CC(=O)COc2ccc(Cl)cc2C)cc1 ZINC000000247842 563581775 /nfs/dbraw/zinc/58/17/75/563581775.db2.gz JIOMQEKWMYJUHG-UHFFFAOYSA-N -1 0 316.784 4.178 50 0 DIAARM CCCCc1c(O)c2ccccc2n(Cc2ccccc2)c1=O ZINC000100249993 563588792 /nfs/dbraw/zinc/58/87/92/563588792.db2.gz UGORMPYEOUOURD-UHFFFAOYSA-N -1 0 307.393 4.098 50 0 biogenic,in-vitro DIAARM O=C([O-])Cc1csc(C2(c3ccc(Cl)cc3)CCCC2)n1 ZINC000011883870 563600724 /nfs/dbraw/zinc/60/07/24/563600724.db2.gz SZXDREZTSQXTMQ-UHFFFAOYSA-N -1 0 321.829 4.284 50 0 DIAARM O=C(CCc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000363721 563629890 /nfs/dbraw/zinc/62/98/90/563629890.db2.gz GUGQEIYXOGLKKY-UHFFFAOYSA-N -1 0 310.180 4.270 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1-c1ccccc1 ZINC000011565699 563650215 /nfs/dbraw/zinc/65/02/15/563650215.db2.gz MERQMAIZKXALFF-SJORKVTESA-N -1 0 323.392 4.183 50 0 DIAARM O=C([O-])CC1(CC(=O)Nc2cccc3ccccc32)CCCC1 ZINC000000532398 563665630 /nfs/dbraw/zinc/66/56/30/563665630.db2.gz JTBSSKVKMKUVOL-UHFFFAOYSA-N -1 0 311.381 4.204 50 0 DIAARM CC(C)(C)c1ccc2c(c1)CN(c1ccc(C(=O)[O-])cc1)CO2 ZINC000000540473 563668215 /nfs/dbraw/zinc/66/82/15/563668215.db2.gz BZGLGFLKKQLRJT-UHFFFAOYSA-N -1 0 311.381 4.039 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccccc1-c1ccccc1C(=O)[O-] ZINC000040449463 563757881 /nfs/dbraw/zinc/75/78/81/563757881.db2.gz GPSMEPUFDKKJKA-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(Cl)c1 ZINC000032496973 563834608 /nfs/dbraw/zinc/83/46/08/563834608.db2.gz UBOBDHWAOYRSQT-UHFFFAOYSA-N -1 0 323.820 4.402 50 0 DIAARM CC(C)CNc1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000010217423 563909206 /nfs/dbraw/zinc/90/92/06/563909206.db2.gz OFPNGZMGVXXJNR-UHFFFAOYSA-N -1 0 324.833 4.159 50 0 DIAARM O=C([O-])c1cc(/C=C/c2c(F)cccc2F)nc2ccccc21 ZINC000006862477 1044588915 /nfs/dbraw/zinc/58/89/15/1044588915.db2.gz DCMRLSLLQAFQSN-CMDGGOBGSA-N -1 0 311.287 4.382 50 0 DIAARM CC1=C(C)N(c2c(Cl)cc(Cl)cc2Cl)[N-]C(=O)O1 ZINC000001511105 1045548884 /nfs/dbraw/zinc/54/88/84/1045548884.db2.gz KQZPUBPAKFIDFG-UHFFFAOYSA-N -1 0 307.564 4.359 50 0 DIAARM CCCOc1ccc(C(C)=NNc2ccc(C(=O)[O-])cc2)cc1 ZINC000254590298 1047227443 /nfs/dbraw/zinc/22/74/43/1047227443.db2.gz YQSBDEPHFPPXDC-UHFFFAOYSA-N -1 0 312.369 4.010 50 0 DIAARM O=C([O-])c1ccc(C=NNc2ccc(Cl)c(Cl)c2)cc1 ZINC000254318338 1049641263 /nfs/dbraw/zinc/64/12/63/1049641263.db2.gz PWYATSIZOKBRRL-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM C[C@H]1CCCN(c2nc(-c3ccccc3[O-])nc3ccccc32)C1 ZINC000095544278 185379252 /nfs/dbraw/zinc/37/92/52/185379252.db2.gz OEXVEBYSMKGXCQ-AWEZNQCLSA-N -1 0 319.408 4.239 50 0 DIAARM COc1ccc(C=C(Cl)c2nc(=O)c3sccc3[n-]2)cc1 ZINC000096891395 185390561 /nfs/dbraw/zinc/39/05/61/185390561.db2.gz RHCNEONWZVEZHR-DHZHZOJOSA-N -1 0 318.785 4.142 50 0 DIAARM O=C([O-])[C@H](Sc1ccnc(-c2ccccc2)n1)c1ccccc1 ZINC000072265551 191089576 /nfs/dbraw/zinc/08/95/76/191089576.db2.gz OCGVSYPAJFXNQX-MRXNPFEDSA-N -1 0 322.389 4.062 50 0 DIAARM O=C([O-])c1ccccc1SCC(=O)c1ccc(Cl)cc1 ZINC000000164898 180712648 /nfs/dbraw/zinc/71/26/48/180712648.db2.gz SWPTTWQFPBNDMV-UHFFFAOYSA-N -1 0 306.770 4.013 50 0 DIAARM COc1ccccc1-c1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000002526030 180932200 /nfs/dbraw/zinc/93/22/00/180932200.db2.gz YNCSGSPKYUXJRL-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM CC(C)(C)OC(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000002528632 180932728 /nfs/dbraw/zinc/93/27/28/180932728.db2.gz HVQKCAFYNPVEAU-UHFFFAOYSA-N -1 0 319.382 4.460 50 0 DIAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccccc1 ZINC000003018358 180977270 /nfs/dbraw/zinc/97/72/70/180977270.db2.gz BKSWQWGBTDAGGJ-UHFFFAOYSA-N -1 0 315.394 4.275 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccccc1)CC2 ZINC000003885005 181052205 /nfs/dbraw/zinc/05/22/05/181052205.db2.gz YOJABMSUQZRPTE-WYMLVPIESA-N -1 0 301.345 4.420 50 0 DIAARM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccccc1F ZINC000003894072 181053745 /nfs/dbraw/zinc/05/37/45/181053745.db2.gz RMUPAUHHPJZGLE-UHFFFAOYSA-N -1 0 304.371 4.350 50 0 DIAARM O=C(c1ccc(Cl)cc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000003906925 181055919 /nfs/dbraw/zinc/05/59/19/181055919.db2.gz LILGKOOATHOHAZ-UHFFFAOYSA-N -1 0 319.694 4.103 50 0 DIAARM Fc1cccc2sc([N-]c3nnc(-c4cccs4)o3)nc21 ZINC000004137696 181078264 /nfs/dbraw/zinc/07/82/64/181078264.db2.gz ZQUHAWQFOYMUPS-UHFFFAOYSA-N -1 0 318.358 4.291 50 0 DIAARM Cc1[nH]c2ccccc2c1[C@H](CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000004488160 181114591 /nfs/dbraw/zinc/11/45/91/181114591.db2.gz DTRLWEPPVCXYIH-INIZCTEOSA-N -1 0 321.376 4.226 50 0 DIAARM Cc1ccc(C)c(OCCn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000004747752 181147720 /nfs/dbraw/zinc/14/77/20/181147720.db2.gz LILIWWFBJKBUCO-UHFFFAOYSA-N -1 0 309.365 4.035 50 0 in-vitro DIAARM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000004797227 181153280 /nfs/dbraw/zinc/15/32/80/181153280.db2.gz GCNFCIYJCJBHOI-UHFFFAOYSA-N -1 0 315.419 4.216 50 0 DIAARM Cc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)[O-])c(C)c1 ZINC000004825367 181157424 /nfs/dbraw/zinc/15/74/24/181157424.db2.gz YSUWBWRGDZCJJD-UHFFFAOYSA-N -1 0 317.410 4.325 50 0 DIAARM CCCc1c(C)nc2c(OC)cccc2c1SCCC(=O)[O-] ZINC000004860728 181164615 /nfs/dbraw/zinc/16/46/15/181164615.db2.gz QILDPSFPODIYNC-UHFFFAOYSA-N -1 0 319.426 4.071 50 0 DIAARM CCCc1ccc([C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000005046447 181196005 /nfs/dbraw/zinc/19/60/05/181196005.db2.gz DTCWCNORLHUNLF-ZDUSSCGKSA-N -1 0 312.365 4.255 50 0 DIAARM O=C([O-])c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000005130961 181208105 /nfs/dbraw/zinc/20/81/05/181208105.db2.gz ANBPNJNZNKQYSZ-UHFFFAOYSA-N -1 0 307.136 4.235 50 0 DIAARM C[C@]12C[C@@]3(C[C@H]1O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@@H]3CC2 ZINC000005696862 181273349 /nfs/dbraw/zinc/27/33/49/181273349.db2.gz LXNQITSPGGEHPV-DONSJTAYSA-N -1 0 320.473 4.235 50 0 DIAARM O=c1cc(CSc2ccc(Cl)cc2)[n-]n1-c1ccccc1 ZINC000005731548 181278677 /nfs/dbraw/zinc/27/86/77/181278677.db2.gz UEJOYLUQOKEXDB-UHFFFAOYSA-N -1 0 316.813 4.225 50 0 DIAARM CCc1sc2[n-]c(=S)n(C3CCCCC3)c(=O)c2c1C ZINC000005925221 181296475 /nfs/dbraw/zinc/29/64/75/181296475.db2.gz OMYONDCRILBWPC-UHFFFAOYSA-N -1 0 308.472 4.497 50 0 DIAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(C4CCCC4)c(=O)c23)C1 ZINC000005926461 181296699 /nfs/dbraw/zinc/29/66/99/181296699.db2.gz FRXFGMWTNXDVCD-VIFPVBQESA-N -1 0 320.483 4.360 50 0 DIAARM CCCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006016327 181306367 /nfs/dbraw/zinc/30/63/67/181306367.db2.gz QXJPPQMSOQRUKO-UHFFFAOYSA-N -1 0 308.472 4.190 50 0 DIAARM O=C([O-])C/C(=C\c1ccccc1F)c1nc2ccccc2s1 ZINC000007747958 181492317 /nfs/dbraw/zinc/49/23/17/181492317.db2.gz XRJYDEOXLXMHJM-FMIVXFBMSA-N -1 0 313.353 4.451 50 0 DIAARM CSc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000008429639 181556970 /nfs/dbraw/zinc/55/69/70/181556970.db2.gz XEKGWIUSUODZNA-UHFFFAOYSA-N -1 0 321.785 4.012 50 0 DIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(Cl)s1 ZINC000008429601 181557030 /nfs/dbraw/zinc/55/70/30/181557030.db2.gz BHAHPDSVBDRYQD-UHFFFAOYSA-N -1 0 316.165 4.005 50 0 DIAARM O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1 ZINC000013671695 181876390 /nfs/dbraw/zinc/87/63/90/181876390.db2.gz TZTPJJNNACUQQR-FQEVSTJZSA-N -1 0 318.372 4.428 50 0 in-vivo DIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1 ZINC000013947704 181914680 /nfs/dbraw/zinc/91/46/80/181914680.db2.gz XZDBRXSXWXEIBB-CYBMUJFWSA-N -1 0 318.442 4.013 50 0 DIAARM O=S(=O)([N-]c1cccc2c1CCCC2)c1ccccc1Cl ZINC000016130714 182035460 /nfs/dbraw/zinc/03/54/60/182035460.db2.gz CASREKLAECWYJO-UHFFFAOYSA-N -1 0 321.829 4.020 50 0 DIAARM Cc1cc(OCCCC(=O)Nc2ccccc2O)ccc1Cl ZINC000016483001 182046408 /nfs/dbraw/zinc/04/64/08/182046408.db2.gz BGJLJZUGRNGVKO-UHFFFAOYSA-N -1 0 319.788 4.152 50 0 DIAARM CC(C)c1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c21 ZINC000016778803 182060773 /nfs/dbraw/zinc/06/07/73/182060773.db2.gz BSYYXWCFTKJISD-UHFFFAOYSA-N -1 0 316.744 4.365 50 0 DIAARM Cc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000016652135 182056723 /nfs/dbraw/zinc/05/67/23/182056723.db2.gz JCHUHWDWNBNPHH-IPELMVKDSA-N -1 0 323.392 4.328 50 0 DIAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@H](C)C(=O)[O-])O2 ZINC000021983142 182301841 /nfs/dbraw/zinc/30/18/41/182301841.db2.gz QWPNLVBAEZJBMI-WLRWDXFRSA-N -1 0 320.429 4.292 50 0 in-vitro DIAARM Cc1ccccc1-n1nc(-c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000025761528 182421666 /nfs/dbraw/zinc/42/16/66/182421666.db2.gz HEYIDDYFRMZWIG-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000040449476 183068001 /nfs/dbraw/zinc/06/80/01/183068001.db2.gz JBIUMLRUCHFEDE-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1cc(F)c(F)cc1Cl ZINC000043214185 183345411 /nfs/dbraw/zinc/34/54/11/183345411.db2.gz UHBADGURWYJNAV-UHFFFAOYSA-N -1 0 304.720 4.226 50 0 DIAARM O=C([O-])c1ccc(-c2cccc(OC(F)(F)F)c2)cc1F ZINC000061703062 184184173 /nfs/dbraw/zinc/18/41/73/184184173.db2.gz IEQHYJGUDCKCOU-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM O=C([O-])c1cc(-c2cccc(OC(F)(F)F)c2)ccc1F ZINC000061703061 184184378 /nfs/dbraw/zinc/18/43/78/184184378.db2.gz VZDWAFXBXQOAEG-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM Cc1ccc(Nc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1 ZINC000002168595 331469050 /nfs/dbraw/zinc/46/90/50/331469050.db2.gz VTRBOZNMGVDGHY-UHFFFAOYSA-N -1 0 313.378 4.139 50 0 DIAARM CC(C)Oc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000115716 563219133 /nfs/dbraw/zinc/21/91/33/563219133.db2.gz LRWZQSBTGVJYHR-UHFFFAOYSA-N -1 0 307.349 4.387 50 0 DIAARM O=C([O-])c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000000225919 563231362 /nfs/dbraw/zinc/23/13/62/563231362.db2.gz NBYNVBRXIUUSIG-UHFFFAOYSA-N -1 0 302.329 4.283 50 0 DIAARM Cc1ccc(OCCn2cc(/C=C/C(=O)[O-])c3ccccc32)cc1 ZINC000000304470 563238398 /nfs/dbraw/zinc/23/83/98/563238398.db2.gz HNRQHXNEKIVLTR-DHZHZOJOSA-N -1 0 321.376 4.127 50 0 DIAARM C[C@H]1CCCCN1c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000000309867 563239169 /nfs/dbraw/zinc/23/91/69/563239169.db2.gz CQMCTCYWRXYEGP-AWEZNQCLSA-N -1 0 319.408 4.381 50 0 DIAARM CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000000391886 563250033 /nfs/dbraw/zinc/25/00/33/563250033.db2.gz LJFJPDHXAWVDSA-ZENOOKHLSA-N -1 0 304.386 4.002 50 0 DIAARM O=S(=O)([N-]c1ccccc1-c1ccccc1)c1cccs1 ZINC000000609125 563268254 /nfs/dbraw/zinc/26/82/54/563268254.db2.gz HLGPWHYINLLTEO-UHFFFAOYSA-N -1 0 315.419 4.216 50 0 DIAARM CC(=O)C(Cc1c(F)cccc1Cl)=C([O-])c1ccccc1 ZINC000001392565 563282214 /nfs/dbraw/zinc/28/22/14/563282214.db2.gz XVHGTAGUTNSKIF-CYBMUJFWSA-N -1 0 304.748 4.110 50 0 DIAARM CCc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397604 563282850 /nfs/dbraw/zinc/28/28/50/563282850.db2.gz DGRWWEGVDYDLAO-INIZCTEOSA-N -1 0 316.784 4.344 50 0 DIAARM O=C([O-])/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000002140831 563300195 /nfs/dbraw/zinc/30/01/95/563300195.db2.gz OUHZYLOWLVTILL-SOFGYWHQSA-N -1 0 306.720 4.156 50 0 DIAARM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccccc2Cl)cc1 ZINC000002243973 563302085 /nfs/dbraw/zinc/30/20/85/563302085.db2.gz YRFSTEWFLFBHNA-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM O=C([O-])/C(=C/c1ccccc1)c1c(F)c(F)c(F)c(F)c1F ZINC000002333974 563302816 /nfs/dbraw/zinc/30/28/16/563302816.db2.gz HLSYUHBGWCNCMX-SOFGYWHQSA-N -1 0 314.209 4.007 50 0 DIAARM O=C([O-])Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 ZINC000002617543 563311107 /nfs/dbraw/zinc/31/11/07/563311107.db2.gz MOWUHSQDLIPEDF-UHFFFAOYSA-N -1 0 311.362 4.230 50 0 DIAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2cc(C)ccc2n1 ZINC000004227680 563327147 /nfs/dbraw/zinc/32/71/47/563327147.db2.gz IGCJSVUVADETMP-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM CCCCOC(=O)N=c1[n-]nc(-c2ccccc2Cl)s1 ZINC000005309352 563329878 /nfs/dbraw/zinc/32/98/78/563329878.db2.gz KFITXGXVPUYSBT-UHFFFAOYSA-N -1 0 311.794 4.207 50 0 DIAARM O=C([O-])c1cc(-c2cccc3ccccc32)n(-c2ccccc2)n1 ZINC000006744087 563334109 /nfs/dbraw/zinc/33/41/09/563334109.db2.gz ZDMTTWOBEHFYKZ-UHFFFAOYSA-N -1 0 314.344 4.391 50 0 DIAARM Cc1nc(Nc2cc(Cl)cc(Cl)c2)sc1C(=O)[O-] ZINC000008015527 563343747 /nfs/dbraw/zinc/34/37/47/563343747.db2.gz JKSNINUEBCWJDP-UHFFFAOYSA-N -1 0 303.170 4.200 50 0 DIAARM Cc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1 ZINC000008559625 563348035 /nfs/dbraw/zinc/34/80/35/563348035.db2.gz WKPYKBWBSIHFTB-UHFFFAOYSA-N -1 0 307.378 4.163 50 0 DIAARM O=C([O-])/C=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000011887057 563359861 /nfs/dbraw/zinc/35/98/61/563359861.db2.gz ZWZJPAXAXHPLPG-FPYGCLRLSA-N -1 0 306.720 4.156 50 0 DIAARM O=C([O-])c1ccc(COc2cc(Cl)ccc2Cl)s1 ZINC000012357615 563367042 /nfs/dbraw/zinc/36/70/42/563367042.db2.gz KMRBGNCYMBAQOW-UHFFFAOYSA-N -1 0 303.166 4.332 50 0 DIAARM COc1cc(/C=C/C(=O)[O-])c(Cl)cc1OCc1ccccc1 ZINC000012394622 563368188 /nfs/dbraw/zinc/36/81/88/563368188.db2.gz NKRGLDPYVZYDBE-BQYQJAHWSA-N -1 0 318.756 4.025 50 0 DIAARM CC[C@@H](C)Nc1nc(-c2cccc(OC)c2[O-])nc2ccccc21 ZINC000013127704 563379053 /nfs/dbraw/zinc/37/90/53/563379053.db2.gz NVUNWZYFZHBYIH-GFCCVEGCSA-N -1 0 323.396 4.221 50 0 DIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000013947734 563393398 /nfs/dbraw/zinc/39/33/98/563393398.db2.gz BBWLRMNIGVBZHE-NSHDSACASA-N -1 0 324.833 4.049 50 0 DIAARM C[C@@H](CP(=O)(Cc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000012383571 563419332 /nfs/dbraw/zinc/41/93/32/563419332.db2.gz NRDTVRKGLXUAGR-HNNXBMFYSA-N -1 0 316.337 4.471 50 0 DIAARM O=C([O-])c1ccc(CSc2nc(-c3ccccc3)cs2)o1 ZINC000026421264 563426120 /nfs/dbraw/zinc/42/61/20/563426120.db2.gz KALRASIJYKQEGK-UHFFFAOYSA-N -1 0 317.391 4.394 50 0 DIAARM Cc1ccc(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000100637404 563552408 /nfs/dbraw/zinc/55/24/08/563552408.db2.gz JCGZQMVVCZISGZ-UHFFFAOYSA-N -1 0 310.393 4.454 50 0 DIAARM Cc1cc(N2CCCc3ccccc32)nc(-c2ccccc2[O-])n1 ZINC000000193348 563577391 /nfs/dbraw/zinc/57/73/91/563577391.db2.gz RPNYCUMARAWGSG-UHFFFAOYSA-N -1 0 317.392 4.242 50 0 DIAARM CCOc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)[O-])c2c1 ZINC000011865223 563600783 /nfs/dbraw/zinc/60/07/83/563600783.db2.gz HQHJNMGNWFAURN-UHFFFAOYSA-N -1 0 312.321 4.205 50 0 DIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CCC(C)C ZINC000100786046 563601120 /nfs/dbraw/zinc/60/11/20/563601120.db2.gz BBMKLTTYCHIKTJ-LBPRGKRZSA-N -1 0 301.415 4.071 50 0 DIAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000000425266 563612597 /nfs/dbraw/zinc/61/25/97/563612597.db2.gz HQOPYEXMXURNHR-UHFFFAOYSA-N -1 0 320.845 4.229 50 0 DIAARM CCCCc1c(C)nc2ccc(C)cc2c1SCC(=O)[O-] ZINC000002280858 563619621 /nfs/dbraw/zinc/61/96/21/563619621.db2.gz BGAPXLBVKGXGLH-UHFFFAOYSA-N -1 0 303.427 4.371 50 0 DIAARM CC(C)(C)OC(=O)Nc1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000040449465 563757652 /nfs/dbraw/zinc/75/76/52/563757652.db2.gz KEMUFZKOVKMAOE-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM O=c1c(-c2ccccc2Cl)c[n-]n1-c1cccc(Cl)c1 ZINC000001400736 563818668 /nfs/dbraw/zinc/81/86/68/563818668.db2.gz GEBWZTNHIQOXFE-UHFFFAOYSA-N -1 0 305.164 4.139 50 0 DIAARM Cc1cc(F)ccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000007381928 563905789 /nfs/dbraw/zinc/90/57/89/563905789.db2.gz PLUVRXKNIWFTQJ-UHFFFAOYSA-N -1 0 315.369 4.088 50 0 DIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)[O-] ZINC000004081132 568417575 /nfs/dbraw/zinc/41/75/75/568417575.db2.gz KAYYIYDHRSEWHR-YHLDZXINSA-N -1 0 320.473 4.091 50 0 biogenic DIAARM CSc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000013139466 1040566130 /nfs/dbraw/zinc/56/61/30/1040566130.db2.gz PBHIPKHFSRFQAE-UHFFFAOYSA-N -1 0 320.801 4.206 50 0 DIAARM O=C([N-][C@H](c1ccccc1)c1cccc(Cl)c1)C(F)(F)F ZINC000004996931 1042129727 /nfs/dbraw/zinc/12/97/27/1042129727.db2.gz ILQAUYGYJVFPHM-CYBMUJFWSA-N -1 0 313.706 4.108 50 0 DIAARM O=C([O-])c1ccc2c(C=Cc3nc4ccccc4s3)[nH]nc2c1 ZINC000095980007 1046802667 /nfs/dbraw/zinc/80/26/67/1046802667.db2.gz MWRGSBZGOAHCHB-BQYQJAHWSA-N -1 0 321.361 4.041 50 0 DIAARM Cc1ccc(NN=Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC000254443357 1047210647 /nfs/dbraw/zinc/21/06/47/1047210647.db2.gz YZAUOAJMJGOHAX-UHFFFAOYSA-N -1 0 319.748 4.017 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccccc1)CC2 ZINC000033621267 1052833562 /nfs/dbraw/zinc/83/35/62/1052833562.db2.gz YOJABMSUQZRPTE-OWBHPGMISA-N -1 0 301.345 4.420 50 0 DIAARM CC(C)(C)C1CCC(OC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000000402414 190613913 /nfs/dbraw/zinc/61/39/13/190613913.db2.gz XBWQPXSZVVYVCC-UHFFFAOYSA-N -1 0 304.386 4.147 50 0 DIAARM C[C@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000012346671 190635470 /nfs/dbraw/zinc/63/54/70/190635470.db2.gz INUQHJLYRODAMT-ZDUSSCGKSA-N -1 0 324.405 4.105 50 0 DIAARM O=C([O-])[C@H](C1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000071767402 191029406 /nfs/dbraw/zinc/02/94/06/191029406.db2.gz SNDDIMGWBBKTDZ-IBGZPJMESA-N -1 0 324.420 4.204 50 0 DIAARM O=C([O-])c1ccccc1[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC000072173966 191069583 /nfs/dbraw/zinc/06/95/83/191069583.db2.gz GGRUQXDFXVCIAL-ZDUSSCGKSA-N -1 0 315.800 4.028 50 0 DIAARM CCCCCC[C@@H](O)C[C@H]1O[C@@H]1CCCCCCCC(=O)[O-] ZINC000146757875 186038249 /nfs/dbraw/zinc/03/82/49/186038249.db2.gz YKVUWOJSBYPADP-BRWVUGGUSA-N -1 0 314.466 4.291 50 0 biogenic DIAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 ZINC000000098583 180691775 /nfs/dbraw/zinc/69/17/75/180691775.db2.gz MYVVMRPFGROVOK-UHFFFAOYSA-N -1 0 323.373 4.366 50 0 DIAARM Nc1cc(C(F)(F)F)ccc1Sc1ccccc1C(=O)[O-] ZINC000000346778 180762758 /nfs/dbraw/zinc/76/27/58/180762758.db2.gz NIYWIBJHMDTRHB-UHFFFAOYSA-N -1 0 313.300 4.137 50 0 DIAARM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc3ccccc32)s1 ZINC000000549394 180819123 /nfs/dbraw/zinc/81/91/23/180819123.db2.gz LIHSSWIVSDPPNP-UHFFFAOYSA-N -1 0 311.362 4.160 50 0 DIAARM Cc1ccc(-c2csc(NC(=O)C(C)C)c2C(=O)[O-])cc1 ZINC000000798277 180833383 /nfs/dbraw/zinc/83/33/83/180833383.db2.gz RWVVACUFRALMQN-UHFFFAOYSA-N -1 0 303.383 4.016 50 0 DIAARM Cc1cc(OCCCC(=O)[O-])c(C(C)C)cc1Br ZINC000001787370 180896806 /nfs/dbraw/zinc/89/68/06/180896806.db2.gz AESIHPHQLJHETO-UHFFFAOYSA-N -1 0 315.207 4.125 50 0 DIAARM CCCOc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000002387657 180922261 /nfs/dbraw/zinc/92/22/61/180922261.db2.gz KSVAZDTWDMLZSM-UHFFFAOYSA-N -1 0 307.349 4.389 50 0 DIAARM O=C([O-])c1ccccc1CSc1nc2cc(Cl)ccc2o1 ZINC000003366362 181012328 /nfs/dbraw/zinc/01/23/28/181012328.db2.gz BDLCXOIRQOEWTF-UHFFFAOYSA-N -1 0 319.769 4.472 50 0 DIAARM O=C([O-])Cc1sc(NCc2ccccc2)nc1-c1ccccc1 ZINC000003350762 181009731 /nfs/dbraw/zinc/00/97/31/181009731.db2.gz DDBRUXCVUBGLCR-UHFFFAOYSA-N -1 0 324.405 4.049 50 0 DIAARM Cc1ccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])c(C)c1 ZINC000003651446 181043485 /nfs/dbraw/zinc/04/34/85/181043485.db2.gz OIDGIWDNJSNGJW-UHFFFAOYSA-N -1 0 313.250 4.302 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000003757121 181045176 /nfs/dbraw/zinc/04/51/76/181045176.db2.gz FXTAXDJWNKIIHF-UHFFFAOYSA-N -1 0 313.740 4.262 50 0 DIAARM CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000003887830 181052885 /nfs/dbraw/zinc/05/28/85/181052885.db2.gz OEAMTQVYPYFSGQ-UHFFFAOYSA-N -1 0 306.365 4.361 50 0 DIAARM COc1ccc(C([O-])=CC(=O)c2ccc3ccccc3c2O)cc1 ZINC000003984263 181060776 /nfs/dbraw/zinc/06/07/76/181060776.db2.gz JRHSIUOBVWRNOS-UHFFFAOYSA-N -1 0 320.344 4.010 50 0 biogenic DIAARM O=C([O-])c1cccc(F)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000004060049 181067954 /nfs/dbraw/zinc/06/79/54/181067954.db2.gz XFYHGZUBXNJZIQ-UHFFFAOYSA-N -1 0 313.111 4.062 50 0 DIAARM COc1ccc2nc([N-]c3nc(C)c(C(C)=O)s3)sc2c1 ZINC000004137736 181077892 /nfs/dbraw/zinc/07/78/92/181077892.db2.gz HNZGQEGSNWJQGB-UHFFFAOYSA-N -1 0 319.411 4.016 50 0 DIAARM COc1cccc2sc([N-]c3nnc(-c4ccccc4)o3)nc21 ZINC000004137651 181077908 /nfs/dbraw/zinc/07/79/08/181077908.db2.gz RUMPVQLLKOXVQY-UHFFFAOYSA-N -1 0 324.365 4.099 50 0 DIAARM C/C(=C\C(=O)Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC000004548917 181123173 /nfs/dbraw/zinc/12/31/73/181123173.db2.gz JFVIQFQOTGFEMK-PKNBQFBNSA-N -1 0 315.756 4.080 50 0 DIAARM Cc1cc(C)c(Cn2c3ccccc3c(C=O)c2C(=O)[O-])c(C)c1 ZINC000004636244 181131058 /nfs/dbraw/zinc/13/10/58/181131058.db2.gz HJQVVGHNUHBZMW-UHFFFAOYSA-N -1 0 321.376 4.126 50 0 DIAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC000004651535 181132087 /nfs/dbraw/zinc/13/20/87/181132087.db2.gz CUMYYBACRQOPSC-IRXDYDNUSA-N -1 0 315.413 4.196 50 0 DIAARM C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@H]3CC2 ZINC000004731318 181143698 /nfs/dbraw/zinc/14/36/98/181143698.db2.gz KFVUFODCZDRVSS-ZLARMEDBSA-N -1 0 318.457 4.443 50 0 biogenic DIAARM Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1CCC(C)C ZINC000004811038 181154670 /nfs/dbraw/zinc/15/46/70/181154670.db2.gz BBMKLTTYCHIKTJ-GFCCVEGCSA-N -1 0 301.415 4.071 50 0 DIAARM O=[P@]([O-])(Oc1ccc(Cl)cc1)Oc1ccccc1F ZINC000004863288 181165182 /nfs/dbraw/zinc/16/51/82/181165182.db2.gz BALMAMGIOSHGKH-UHFFFAOYSA-N -1 0 302.625 4.037 50 0 DIAARM O=C([O-])c1cc(Cl)cnc1Oc1cccc(C(F)(F)F)c1 ZINC000074934374 191389687 /nfs/dbraw/zinc/38/96/87/191389687.db2.gz TYNTUKZQOFGSCE-UHFFFAOYSA-N -1 0 317.650 4.244 50 0 DIAARM CC[C@H](C(=O)Nc1cc(Cl)ccc1C(=O)[O-])c1ccccc1 ZINC000005060006 181198521 /nfs/dbraw/zinc/19/85/21/181198521.db2.gz VRZCIYJFUWKAOW-ZDUSSCGKSA-N -1 0 317.772 4.171 50 0 DIAARM Cc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000005392743 181238939 /nfs/dbraw/zinc/23/89/39/181238939.db2.gz OFKXVYAOZKACMM-UHFFFAOYSA-N -1 0 316.209 4.103 50 0 DIAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005344495 181232232 /nfs/dbraw/zinc/23/22/32/181232232.db2.gz CSHSZHDFSIFMNT-AWEZNQCLSA-N -1 0 323.175 4.435 50 0 DIAARM CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)[O-])cc1 ZINC000005667540 181269300 /nfs/dbraw/zinc/26/93/00/181269300.db2.gz OTMIXKCBDQOODI-SEYXRHQNSA-N -1 0 318.376 4.200 50 0 DIAARM Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc12 ZINC000005730084 181277580 /nfs/dbraw/zinc/27/75/80/181277580.db2.gz QLIMABFWQMLFPF-UHFFFAOYSA-N -1 0 320.266 4.493 50 0 DIAARM O=C([O-])[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 ZINC000006550505 181353202 /nfs/dbraw/zinc/35/32/02/181353202.db2.gz KDHATOHQYYFMNE-HNNXBMFYSA-N -1 0 317.797 4.410 50 0 DIAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000006556306 181354533 /nfs/dbraw/zinc/35/45/33/181354533.db2.gz YAEYVHYAOOUTFP-UHFFFAOYSA-N -1 0 300.285 4.047 50 0 DIAARM O=C([O-])c1cncc(-c2cccc(OCc3ccccc3)c2)c1 ZINC000016948094 182065491 /nfs/dbraw/zinc/06/54/91/182065491.db2.gz ZGYYOXUXEQFTPJ-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM CCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000017053417 182071506 /nfs/dbraw/zinc/07/15/06/182071506.db2.gz DYZBVEYQKNNFER-SJORKVTESA-N -1 0 315.413 4.025 50 0 DIAARM Cc1[n-]n2c(nc(-c3ccc(F)cc3)cc2=O)c1-c1ccccc1 ZINC000018222291 182099537 /nfs/dbraw/zinc/09/95/37/182099537.db2.gz PGUIHOIBIYWHEH-UHFFFAOYSA-N -1 0 319.339 4.216 50 0 DIAARM Cc1nc(Nc2cc(Cl)ccc2Cl)sc1C(=O)[O-] ZINC000020156545 182193321 /nfs/dbraw/zinc/19/33/21/182193321.db2.gz BQKDGOPMQQYZHW-UHFFFAOYSA-N -1 0 303.170 4.200 50 0 DIAARM O=C([O-])C/C(=C/c1c(F)cccc1F)c1nc2ccccc2o1 ZINC000021759660 182287628 /nfs/dbraw/zinc/28/76/28/182287628.db2.gz LYRBWYYBMFFDQZ-NTMALXAHSA-N -1 0 315.275 4.121 50 0 DIAARM Cc1ccc(CCCNC(=O)c2ccc([O-])c(Cl)c2)c(C)c1 ZINC000024076032 182374208 /nfs/dbraw/zinc/37/42/08/182374208.db2.gz SLFFSGMTZZURGX-UHFFFAOYSA-N -1 0 317.816 4.025 50 0 DIAARM O=C([O-])c1cc(/C=C/c2ccc(F)cc2)nc2cc(F)ccc21 ZINC000031855790 182626069 /nfs/dbraw/zinc/62/60/69/182626069.db2.gz LVXZSUDJCUXGLQ-XVNBXDOJSA-N -1 0 311.287 4.382 50 0 DIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@H]1c1ccccc1 ZINC000032904117 182677104 /nfs/dbraw/zinc/67/71/04/182677104.db2.gz YCAHKEXYSFJLJM-OAHLLOKOSA-N -1 0 301.773 4.023 50 0 DIAARM COc1ccc(/C=C\C(=O)[O-])cc1COc1ccc(Cl)cc1 ZINC000033310939 182701933 /nfs/dbraw/zinc/70/19/33/182701933.db2.gz QYEFTSSKRKWPDA-OQFOIZHKSA-N -1 0 318.756 4.025 50 0 DIAARM O=C([O-])/C=C\c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000033317408 182703975 /nfs/dbraw/zinc/70/39/75/182703975.db2.gz OUHZYLOWLVTILL-VURMDHGXSA-N -1 0 306.720 4.156 50 0 DIAARM O=C([O-])C(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000037528563 182904332 /nfs/dbraw/zinc/90/43/32/182904332.db2.gz BSDFOKXINUZVCG-UHFFFAOYSA-N -1 0 309.192 4.479 50 0 DIAARM CCOc1ccc(/C(=C/C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000041516513 183196862 /nfs/dbraw/zinc/19/68/62/183196862.db2.gz PQOCUFKLYQOQIJ-LFIBNONCSA-N -1 0 302.757 4.255 50 0 DIAARM CCOc1ccc([C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000041531120 183198717 /nfs/dbraw/zinc/19/87/17/183198717.db2.gz PIPVOAAZJRJMEK-MRXNPFEDSA-N -1 0 304.773 4.345 50 0 DIAARM O=C([O-])c1nc2ccc(Cl)cc2c(-c2ccccc2Cl)n1 ZINC000044199330 183398460 /nfs/dbraw/zinc/39/84/60/183398460.db2.gz WPSNLOADPUPVMP-UHFFFAOYSA-N -1 0 319.147 4.302 50 0 in-vitro DIAARM CCc1[n-]n2c(nc(C)c(CC)c2=O)c1-c1ccc(Cl)cc1 ZINC000102723037 193919932 /nfs/dbraw/zinc/91/99/32/193919932.db2.gz FEELDDBVUXZXCY-UHFFFAOYSA-N -1 0 315.804 4.189 50 0 DIAARM CSc1nc(=O)c2scc(-c3cccc(Cl)c3)c2[n-]1 ZINC000062591986 184244272 /nfs/dbraw/zinc/24/42/72/184244272.db2.gz BFCRYDKLKSXWID-UHFFFAOYSA-N -1 0 308.815 4.439 50 0 DIAARM CSc1nc(=O)c2scc(-c3ccccc3Cl)c2[n-]1 ZINC000062591985 184244369 /nfs/dbraw/zinc/24/43/69/184244369.db2.gz HSQUUUVMRMDVKX-UHFFFAOYSA-N -1 0 308.815 4.439 50 0 DIAARM COc1ccc(-c2ccc(C(=O)[O-])cc2C)cc1C(F)(F)F ZINC000065355127 184328079 /nfs/dbraw/zinc/32/80/79/184328079.db2.gz AJGHDILPTDNSRJ-UHFFFAOYSA-N -1 0 310.271 4.388 50 0 DIAARM Cc1ccc(Cn2c(=O)c3oc4ccccc4c3[n-]c2=S)cc1 ZINC000100892748 257242007 /nfs/dbraw/zinc/24/20/07/257242007.db2.gz CNJRVBOBOVRPCQ-UHFFFAOYSA-N -1 0 322.389 4.162 50 0 DIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)c1ccccc1 ZINC000000400321 331462210 /nfs/dbraw/zinc/46/22/10/331462210.db2.gz WAQLLKFBGYDVPQ-UHFFFAOYSA-N -1 0 302.329 4.283 50 0 in-vitro DIAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1ccc(C(F)(F)F)cc1 ZINC000100449381 563550970 /nfs/dbraw/zinc/55/09/70/563550970.db2.gz VVCQMWSCLCCYFG-UMSPYCQHSA-N -1 0 314.303 4.169 50 0 DIAARM COc1ccc(C(=O)C=C([O-])c2ccc(C(C)(C)C)cc2)cc1 ZINC000000000973 563211173 /nfs/dbraw/zinc/21/11/73/563211173.db2.gz XNEFYCZVKIDDMS-UHFFFAOYSA-N -1 0 310.393 4.448 50 0 fda DIAARM CCn1c(=O)c2c(-c3ccc(C)cc3)csc2[n-]c1=S ZINC000000102446 563217378 /nfs/dbraw/zinc/21/73/78/563217378.db2.gz SJINKCIXEGJWMD-UHFFFAOYSA-N -1 0 302.424 4.116 50 0 DIAARM O=C([O-])c1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000000254865 563234237 /nfs/dbraw/zinc/23/42/37/563234237.db2.gz AFBSZPOUSSQTGS-UHFFFAOYSA-N -1 0 322.389 4.351 50 0 DIAARM CC[C@@H](c1ccccc1)[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000390813 563249152 /nfs/dbraw/zinc/24/91/52/563249152.db2.gz DDGVQXSIAHQHDZ-UKRRQHHQSA-N -1 0 312.365 4.124 50 0 DIAARM C[C@H](CC(=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000000395782 563249919 /nfs/dbraw/zinc/24/99/19/563249919.db2.gz WKHSCGSKSZJEBW-GFCCVEGCSA-N -1 0 304.773 4.497 50 0 DIAARM CC(C)c1ccc([C@H](CC(=O)c2ccc(F)cc2)C(=O)[O-])cc1 ZINC000000405989 563251805 /nfs/dbraw/zinc/25/18/05/563251805.db2.gz ZSGDEWVFOQDGRZ-KRWDZBQOSA-N -1 0 314.356 4.390 50 0 DIAARM Cc1ccc2ccccc2c1[N-]S(=O)(=O)c1cccs1 ZINC000001396304 563282135 /nfs/dbraw/zinc/28/21/35/563282135.db2.gz ITONRCGCZCIYDF-UHFFFAOYSA-N -1 0 303.408 4.011 50 0 DIAARM CC(C)=CCc1cc(-c2coc3cc([O-])ccc3c2=O)ccc1O ZINC000002570135 563309715 /nfs/dbraw/zinc/30/97/15/563309715.db2.gz OBGPEBYHGIUFBN-UHFFFAOYSA-N -1 0 322.360 4.380 50 0 biogenic,in-vitro DIAARM O=C([O-])CCCCCCC(=O)c1ccccc1C(F)(F)F ZINC000002579908 563309840 /nfs/dbraw/zinc/30/98/40/563309840.db2.gz PHMJOXYUWMHCHH-UHFFFAOYSA-N -1 0 302.292 4.313 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002579918 563309902 /nfs/dbraw/zinc/30/99/02/563309902.db2.gz KHIGGEUMLVMXCO-UHFFFAOYSA-N -1 0 302.292 4.313 50 0 DIAARM CC(C)(C)OC(=O)N(c1ccccc1)c1ccccc1C(=O)[O-] ZINC000002580915 563310686 /nfs/dbraw/zinc/31/06/86/563310686.db2.gz PIHWFMXIQDTWGF-UHFFFAOYSA-N -1 0 313.353 4.458 50 0 DIAARM CCOc1cc(C(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000007603989 563340261 /nfs/dbraw/zinc/34/02/61/563340261.db2.gz QIOFHVMAGPGIPT-UHFFFAOYSA-N -1 0 306.745 4.016 50 0 DIAARM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000097442577 563349455 /nfs/dbraw/zinc/34/94/55/563349455.db2.gz FVKZYXKVVCHDQM-UITAMQMPSA-N -1 0 318.756 4.025 50 0 DIAARM CCOc1cc(C(=O)[O-])ccc1OCc1c(F)cccc1Cl ZINC000011822795 563360174 /nfs/dbraw/zinc/36/01/74/563360174.db2.gz RIEPPTQAIIDKKU-UHFFFAOYSA-N -1 0 324.735 4.155 50 0 DIAARM [O-]c1ccccc1-c1nc2ccccc2c(NC2CCCC2)n1 ZINC000012475393 563370864 /nfs/dbraw/zinc/37/08/64/563370864.db2.gz UDHONHOHLSXUMT-UHFFFAOYSA-N -1 0 305.381 4.357 50 0 DIAARM COc1cccc(-c2nc3ccccc3c(NC(C)(C)C)n2)c1[O-] ZINC000013127572 563379051 /nfs/dbraw/zinc/37/90/51/563379051.db2.gz UUWPJRYWDZWHQZ-UHFFFAOYSA-N -1 0 323.396 4.221 50 0 DIAARM O=C([O-])c1ccc(NN=Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000096681198 563419977 /nfs/dbraw/zinc/41/99/77/563419977.db2.gz LQWVEFYYJOGWRW-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM Cc1ccc(-n2c(CNc3ccccc3C)n[n-]c2=S)cc1 ZINC000026439438 563425958 /nfs/dbraw/zinc/42/59/58/563425958.db2.gz MXZVRNJTYOLAFG-UHFFFAOYSA-N -1 0 310.426 4.159 50 0 DIAARM Cc1cnccc1NC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097103415 563505340 /nfs/dbraw/zinc/50/53/40/563505340.db2.gz UXWZBKGCPMPIRD-UHFFFAOYSA-N -1 0 312.156 4.046 50 0 DIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1ccc(Cl)cc1 ZINC000100072246 563545877 /nfs/dbraw/zinc/54/58/77/563545877.db2.gz ZEXLTUVPIDHXOQ-UHFFFAOYSA-N -1 0 316.763 4.270 50 0 DIAARM CCCCc1c([O-])c2cccc3c4c(n(c32)c1=O)CC[C@H](C)C4 ZINC000100294478 563549091 /nfs/dbraw/zinc/54/90/91/563549091.db2.gz BAMOSLXACRGYPO-LBPRGKRZSA-N -1 0 309.409 4.064 50 0 DIAARM O=C(C=C([O-])c1ccc(-c2ccco2)c(Cl)c1)C(F)(F)F ZINC000101174861 563556611 /nfs/dbraw/zinc/55/66/11/563556611.db2.gz DVRLQGAPAPNDIF-UHFFFAOYSA-N -1 0 316.662 4.304 50 0 DIAARM CC(C)(C)C1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000002026330 563634380 /nfs/dbraw/zinc/63/43/80/563634380.db2.gz FBZFRXSHFXSZID-UHFFFAOYSA-N -1 0 303.402 4.176 50 0 DIAARM O=c1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c[n-]n21 ZINC000100962655 563647338 /nfs/dbraw/zinc/64/73/38/563647338.db2.gz ZWCHISUQTDMGAB-UHFFFAOYSA-N -1 0 321.767 4.422 50 0 DIAARM CC(C)(C)c1ccc2c(c1)CN(c1cccc(C(=O)[O-])c1)CO2 ZINC000000534118 563666824 /nfs/dbraw/zinc/66/68/24/563666824.db2.gz GTQSUFLMAIBJIQ-UHFFFAOYSA-N -1 0 311.381 4.039 50 0 DIAARM O=C([O-])c1[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000000551646 563669945 /nfs/dbraw/zinc/66/99/45/563669945.db2.gz QJMVNWBUMRDLFZ-UHFFFAOYSA-N -1 0 316.154 4.296 50 0 DIAARM Cc1c2ccccc2oc1C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000008429600 563722314 /nfs/dbraw/zinc/72/23/14/563722314.db2.gz PIYZAHGLNFKGIA-UHFFFAOYSA-N -1 0 309.321 4.000 50 0 DIAARM Cc1cc(-c2ccc(OCCCC(=O)[O-])cc2)nc2ccccc12 ZINC000012544257 563800540 /nfs/dbraw/zinc/80/05/40/563800540.db2.gz FHEDTDDISNKUMO-UHFFFAOYSA-N -1 0 321.376 4.454 50 0 DIAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000245239780 563881342 /nfs/dbraw/zinc/88/13/42/563881342.db2.gz MGMOLZNAUACBCR-OHZYOOSQSA-N -1 0 318.457 4.011 50 0 DIAARM O=C([N-]OCc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000008096681 563946662 /nfs/dbraw/zinc/94/66/62/563946662.db2.gz UKGFGVMYGBTFIH-UHFFFAOYSA-N -1 0 317.388 4.067 50 0 DIAARM O=C([O-])c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000146019867 568415925 /nfs/dbraw/zinc/41/59/25/568415925.db2.gz CIGQHGGYHBDEHX-UHFFFAOYSA-N -1 0 301.651 4.119 50 0 DIAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1F ZINC000254924703 1035764340 /nfs/dbraw/zinc/76/43/40/1035764340.db2.gz YNCRQQDFZYTFBV-UHFFFAOYSA-N -1 0 306.724 4.013 50 0 DIAARM COc1ccccc1/C=C\c1cc(C(=O)[O-])c2ccccc2n1 ZINC000034736020 1043728211 /nfs/dbraw/zinc/72/82/11/1043728211.db2.gz USOOLDIXEAFCTJ-KHPPLWFESA-N -1 0 305.333 4.112 50 0 DIAARM O=C([O-])c1cc(NN=C2CCCc3ccccc32)ccc1Cl ZINC000006530609 1044488710 /nfs/dbraw/zinc/48/87/10/1044488710.db2.gz FMRCQYAPKHOKTI-UHFFFAOYSA-N -1 0 314.772 4.191 50 0 DIAARM CN(CC[C@H]1CCCCO1)Cc1c(Cl)ccc([O-])c1Cl ZINC000952977409 1051124293 /nfs/dbraw/zinc/12/42/93/1051124293.db2.gz QJTJGUSKRROJNC-LLVKDONJSA-N -1 0 318.244 4.090 50 0 DIAARM Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)/C=C\C(=O)[O-] ZINC000033289346 1052720972 /nfs/dbraw/zinc/72/09/72/1052720972.db2.gz ATAPINMWSGGUOX-HJWRWDBZSA-N -1 0 317.429 4.169 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@@H]1CC(=O)c1ccccc1C(F)(F)F ZINC000002579651 1055972996 /nfs/dbraw/zinc/97/29/96/1055972996.db2.gz LDUOFKAZKGAMHJ-MNOVXSKESA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])CC/C(=C/c1cccnc1)c1nc2ccccc2s1 ZINC000096767628 185386941 /nfs/dbraw/zinc/38/69/41/185386941.db2.gz NEXZKOYNJBACDH-RAXLEYEMSA-N -1 0 310.378 4.097 50 0 DIAARM O=C([O-])[C@@H](C1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000071767403 191028766 /nfs/dbraw/zinc/02/87/66/191028766.db2.gz SNDDIMGWBBKTDZ-LJQANCHMSA-N -1 0 324.420 4.204 50 0 DIAARM COc1ccc(C2CCCCC2)cc1C(=O)C[C@H](C)C(=O)[O-] ZINC000071770742 191030058 /nfs/dbraw/zinc/03/00/58/191030058.db2.gz ZQNSCWNCOJQZJA-LBPRGKRZSA-N -1 0 304.386 4.036 50 0 DIAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000000448823 180794600 /nfs/dbraw/zinc/79/46/00/180794600.db2.gz CGJKOWLPAZYPHW-ROUUACIJSA-N -1 0 323.392 4.183 50 0 DIAARM CCCCc1c(C)nc2c(C)cccc2c1SCC(=O)[O-] ZINC000002283161 180917881 /nfs/dbraw/zinc/91/78/81/180917881.db2.gz CMPYKRSAOWFFTA-UHFFFAOYSA-N -1 0 303.427 4.371 50 0 DIAARM CC(C)C[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002344551 180920518 /nfs/dbraw/zinc/92/05/18/180920518.db2.gz VZUIUTWVGFSQKE-VXGBXAGGSA-N -1 0 311.809 4.052 50 0 DIAARM Cc1cc(C)cc(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])c1 ZINC000003651440 181043768 /nfs/dbraw/zinc/04/37/68/181043768.db2.gz SIWTVBLUOYZGRE-UHFFFAOYSA-N -1 0 313.250 4.302 50 0 DIAARM CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000003887686 181053028 /nfs/dbraw/zinc/05/30/28/181053028.db2.gz IGEOTGHPIWCSHX-UHFFFAOYSA-N -1 0 301.367 4.018 50 0 DIAARM Cc1cc(C)n2cc(-c3sccc3Cl)c(C(=O)[O-])c2n1 ZINC000004084134 181070981 /nfs/dbraw/zinc/07/09/81/181070981.db2.gz PFBBKLAVIBLPAV-UHFFFAOYSA-N -1 0 306.774 4.031 50 0 DIAARM CC1=C(C)C[C@H](C(=O)Nc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC000004702081 181139963 /nfs/dbraw/zinc/13/99/63/181139963.db2.gz KLMGMFWVIBKJKG-IRXDYDNUSA-N -1 0 323.392 4.226 50 0 DIAARM O=C([O-])C/C(=C\c1ccc(F)cc1)c1nc2ccccc2s1 ZINC000005130972 181207757 /nfs/dbraw/zinc/20/77/57/181207757.db2.gz NMTMNZSJXCTRDW-FMIVXFBMSA-N -1 0 313.353 4.451 50 0 DIAARM CCc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2CC)cc1 ZINC000005686789 181272138 /nfs/dbraw/zinc/27/21/38/181272138.db2.gz RBBBDACEEGEXQW-UHFFFAOYSA-N -1 0 310.349 4.416 50 0 DIAARM Cc1ccc(C)c(-n2c(Cc3cccs3)n[n-]c2=S)c1 ZINC000005926280 181296469 /nfs/dbraw/zinc/29/64/69/181296469.db2.gz CKEXVAZYWXTRRL-UHFFFAOYSA-N -1 0 301.440 4.199 50 0 DIAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCC1)CCCC3 ZINC000006015950 181306457 /nfs/dbraw/zinc/30/64/57/181306457.db2.gz ANPYKVSFQBSBNP-UHFFFAOYSA-N -1 0 306.456 4.114 50 0 DIAARM COc1ccc(-c2nc3c(C)cccc3c(C(=O)[O-])c2C)cc1 ZINC000006318372 181330018 /nfs/dbraw/zinc/33/00/18/181330018.db2.gz ZRZNSAUZEYAAKY-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM CC(C)CCn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006459350 181342917 /nfs/dbraw/zinc/34/29/17/181342917.db2.gz OAYMHEFLKVEHCJ-UHFFFAOYSA-N -1 0 308.472 4.045 50 0 DIAARM CCCn1c(=O)c2c(-c3ccc(F)cc3)csc2[n-]c1=S ZINC000006482231 181344214 /nfs/dbraw/zinc/34/42/14/181344214.db2.gz JWRUVWSLTLQTJL-UHFFFAOYSA-N -1 0 320.414 4.337 50 0 DIAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1Oc1ccccc1F ZINC000006556307 181354045 /nfs/dbraw/zinc/35/40/45/181354045.db2.gz IZZCBQNGYBTUAD-UHFFFAOYSA-N -1 0 300.285 4.047 50 0 DIAARM CC1(C)C[C@@](CC(=O)[O-])(c2cccc(C(F)(F)F)c2)CCO1 ZINC000006755266 181384212 /nfs/dbraw/zinc/38/42/12/181384212.db2.gz HQABJWNBCNVWRY-OAHLLOKOSA-N -1 0 316.319 4.007 50 0 DIAARM O=C(c1cnc2ccc3sccc3c2c1)c1ccccc1[O-] ZINC000012788469 181797866 /nfs/dbraw/zinc/79/78/66/181797866.db2.gz UMSMDYWLAAIBPW-UHFFFAOYSA-N -1 0 305.358 4.386 50 0 DIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1cc2ccccc2o1 ZINC000013186160 181837305 /nfs/dbraw/zinc/83/73/05/181837305.db2.gz BOFHAZKIDVSWCY-UHFFFAOYSA-N -1 0 315.712 4.037 50 0 DIAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000016130551 182035142 /nfs/dbraw/zinc/03/51/42/182035142.db2.gz BVDQJEUPGHZDAE-UHFFFAOYSA-N -1 0 307.390 4.058 50 0 DIAARM Cc1cc2c([n-]c(=S)n(CCCc3ccccc3)c2=O)s1 ZINC000017054049 182072283 /nfs/dbraw/zinc/07/22/83/182072283.db2.gz XUVZSBXRGMUUIO-UHFFFAOYSA-N -1 0 316.451 4.062 50 0 DIAARM CCCc1nc2c(-c3ccc(F)cc3)c(C)[n-]n2c(=O)c1Cl ZINC000018222806 182099464 /nfs/dbraw/zinc/09/94/64/182099464.db2.gz AKGFPQJRPGRAON-UHFFFAOYSA-N -1 0 319.767 4.155 50 0 DIAARM O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1cccc(O)c1 ZINC000019793874 182149918 /nfs/dbraw/zinc/14/99/18/182149918.db2.gz FHXDJNSRFUSASC-UHFFFAOYSA-N -1 0 314.728 4.036 50 0 DIAARM O=C([O-])c1cc(Nc2ccnc3cc(Cl)ccc32)ccc1O ZINC000020068867 182184272 /nfs/dbraw/zinc/18/42/72/182184272.db2.gz YYIHFZGBMOICLI-UHFFFAOYSA-N -1 0 314.728 4.036 50 0 DIAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@@H](C)C(=O)[O-])O2 ZINC000021983145 182301867 /nfs/dbraw/zinc/30/18/67/182301867.db2.gz QWPNLVBAEZJBMI-WYRIXSBYSA-N -1 0 320.429 4.292 50 0 in-vitro DIAARM CC(C)(C(=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000021997414 182303037 /nfs/dbraw/zinc/30/30/37/182303037.db2.gz ORLKRFYFNMCQIG-UHFFFAOYSA-N -1 0 300.198 4.086 50 0 DIAARM CC(C)c1ccc(N[C@H](c2cccc(F)c2)[P@@](=O)([O-])O)cc1 ZINC000024769747 182391105 /nfs/dbraw/zinc/39/11/05/182391105.db2.gz DXCNJARZTPCTIW-INIZCTEOSA-N -1 0 323.304 4.238 50 0 DIAARM CCCCCc1ccc(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000100590155 193801641 /nfs/dbraw/zinc/80/16/41/193801641.db2.gz YZWXIGMTNZJLRT-CALCHBBNSA-N -1 0 302.414 4.493 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1C(F)(F)F ZINC000043879345 183388555 /nfs/dbraw/zinc/38/85/55/183388555.db2.gz LDUOFKAZKGAMHJ-GHMZBOCLSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000043879486 183388679 /nfs/dbraw/zinc/38/86/79/183388679.db2.gz JWKYUZAQKFDNFR-CMPLNLGQSA-N -1 0 314.303 4.169 50 0 DIAARM S=c1[n-]c2c(cc(Br)cc2Br)o1 ZINC000065337242 184324876 /nfs/dbraw/zinc/32/48/76/184324876.db2.gz CZCGAMAWAYOEJD-UHFFFAOYSA-N -1 0 308.982 4.015 50 0 DIAARM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000091676185 257137348 /nfs/dbraw/zinc/13/73/48/257137348.db2.gz JWKYUZAQKFDNFR-PWSUYJOCSA-N -1 0 314.303 4.169 50 0 DIAARM Cc1oc2ccc(OCc3cccc(F)c3)cc2c1C(=O)[O-] ZINC000000086268 563214720 /nfs/dbraw/zinc/21/47/20/563214720.db2.gz QQIXFCGIGPSJDM-UHFFFAOYSA-N -1 0 300.285 4.158 50 0 DIAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101836 563217530 /nfs/dbraw/zinc/21/75/30/563217530.db2.gz MTTMWFIBZPZFSF-UHFFFAOYSA-N -1 0 316.209 4.103 50 0 DIAARM Cc1cc(C(C)(C)C)ccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000000146060 563223903 /nfs/dbraw/zinc/22/39/03/563223903.db2.gz GJSLORRMXWNNDG-UHFFFAOYSA-N -1 0 305.418 4.122 50 0 DIAARM Cc1oc2cc([O-])ccc2c(=O)c1Oc1ccc(Cl)cc1 ZINC000000162668 563226335 /nfs/dbraw/zinc/22/63/35/563226335.db2.gz OJAZWWUNVFKXOF-UHFFFAOYSA-N -1 0 302.713 4.253 50 0 DIAARM O=C([O-])c1ccccc1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000190103 563229093 /nfs/dbraw/zinc/22/90/93/563229093.db2.gz DIGYASCXPKODLJ-UHFFFAOYSA-N -1 0 318.328 4.408 50 0 DIAARM Cc1ccc(-c2cn(-c3ccccc3)c(SCC(=O)[O-])n2)cc1 ZINC000000396025 563250645 /nfs/dbraw/zinc/25/06/45/563250645.db2.gz YRWNEHRNPHNHKS-UHFFFAOYSA-N -1 0 324.405 4.024 50 0 DIAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1cccc2ccccc21 ZINC000000618948 563270684 /nfs/dbraw/zinc/27/06/84/563270684.db2.gz ZLZMLNRMYRYGSK-UHFFFAOYSA-N -1 0 314.344 4.391 50 0 DIAARM CCC[C@@H](CCC(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000002195374 563301515 /nfs/dbraw/zinc/30/15/15/563301515.db2.gz ZCHSAWPSSWERHA-VIFPVBQESA-N -1 0 318.200 4.213 50 0 DIAARM CCCOc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000002291981 563302094 /nfs/dbraw/zinc/30/20/94/563302094.db2.gz BZHOKRHEEJKAOE-UHFFFAOYSA-N -1 0 307.349 4.389 50 0 DIAARM CCc1ccc2nc(-c3ccccc3OC)cc(C(=O)[O-])c2c1 ZINC000002525949 563307943 /nfs/dbraw/zinc/30/79/43/563307943.db2.gz OKVTUAKNPHORCU-UHFFFAOYSA-N -1 0 307.349 4.171 50 0 DIAARM COc1ccc(-c2nc3ccc(C)cc3c(C(=O)[O-])c2C)cc1 ZINC000002738103 563312013 /nfs/dbraw/zinc/31/20/13/563312013.db2.gz HNSYDHWFVDPVIJ-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM Cc1ccccc1COc1ccc(Br)cc1C(=O)[O-] ZINC000011994776 563360772 /nfs/dbraw/zinc/36/07/72/563360772.db2.gz MLMMZCUNKLQMQB-UHFFFAOYSA-N -1 0 321.170 4.035 50 0 DIAARM CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000013109239 563378175 /nfs/dbraw/zinc/37/81/75/563378175.db2.gz ILQLITDRYFHAGM-NSISKUIASA-N -1 0 316.441 4.009 50 0 biogenic,in-vitro DIAARM Cc1ccccc1-c1nnc([N-]c2ccc(F)c(F)c2F)o1 ZINC000014165948 563396902 /nfs/dbraw/zinc/39/69/02/563396902.db2.gz RAYNAEHCISPXCA-UHFFFAOYSA-N -1 0 305.259 4.206 50 0 DIAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@H]1c1ccccc1 ZINC000032904118 563410381 /nfs/dbraw/zinc/41/03/81/563410381.db2.gz YCAHKEXYSFJLJM-HNNXBMFYSA-N -1 0 301.773 4.023 50 0 DIAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1Cc1cccc(Cl)c1 ZINC000100072253 563545845 /nfs/dbraw/zinc/54/58/45/563545845.db2.gz NQCSHNYMWVMZOH-UHFFFAOYSA-N -1 0 316.763 4.270 50 0 DIAARM O=C([O-])[C@H](Sc1nc2ccccc2s1)c1ccccc1 ZINC000000114433 563570844 /nfs/dbraw/zinc/57/08/44/563570844.db2.gz FRLJULJKYFHNSH-CYBMUJFWSA-N -1 0 301.392 4.214 50 0 DIAARM O=C([O-])c1ccccc1-c1nc2ccccc2n1-c1ccccc1 ZINC000000367007 563590757 /nfs/dbraw/zinc/59/07/57/563590757.db2.gz SJUJPKXXULBKLM-UHFFFAOYSA-N -1 0 314.344 4.391 50 0 DIAARM O=c1c2sc3ccccc3c2[n-]c(=S)n1C1CCCC1 ZINC000000424667 563612127 /nfs/dbraw/zinc/61/21/27/563612127.db2.gz FZFOQXBMRDHCQH-UHFFFAOYSA-N -1 0 302.424 4.389 50 0 DIAARM Cc1cccc(NC(=O)c2cc3ccccc3s2)c1C(=O)[O-] ZINC000000152171 563628443 /nfs/dbraw/zinc/62/84/43/563628443.db2.gz HXFCECDZNFINKE-UHFFFAOYSA-N -1 0 311.362 4.160 50 0 DIAARM O=C([O-])c1ccc(Cl)cc1NC(=O)CCC1CCCCC1 ZINC000001010625 563633178 /nfs/dbraw/zinc/63/31/78/563633178.db2.gz ZRQZCLKELCTHSX-UHFFFAOYSA-N -1 0 309.793 4.337 50 0 DIAARM C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)[O-] ZINC000032911458 563698139 /nfs/dbraw/zinc/69/81/39/563698139.db2.gz YQACAXHKQZCEOI-BGZMIMFDSA-N -1 0 316.441 4.219 50 0 DIAARM C[C@@H](Sc1ncc(-c2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000012346666 563719993 /nfs/dbraw/zinc/71/99/93/563719993.db2.gz INUQHJLYRODAMT-CYBMUJFWSA-N -1 0 324.405 4.105 50 0 DIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000047205679 563811631 /nfs/dbraw/zinc/81/16/31/563811631.db2.gz SIYHDMGYCLAXJE-UHFFFAOYSA-N -1 0 311.287 4.392 50 0 DIAARM Cc1ccc(C(=S)S[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000075261117 563862374 /nfs/dbraw/zinc/86/23/74/563862374.db2.gz TZMDGXBNSVOHKR-CQSZACIVSA-N -1 0 302.420 4.230 50 0 DIAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253497488 563884429 /nfs/dbraw/zinc/88/44/29/563884429.db2.gz MGMOLZNAUACBCR-FMKUXJSGSA-N -1 0 318.457 4.011 50 0 DIAARM CC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000002171947 563915606 /nfs/dbraw/zinc/91/56/06/563915606.db2.gz KLNAPOGARACJBQ-UHFFFAOYSA-N -1 0 301.940 4.201 50 0 DIAARM CCCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000002323860 563926203 /nfs/dbraw/zinc/92/62/03/563926203.db2.gz BZTSMNIIIDBIHN-NEPJUHHUSA-N -1 0 311.809 4.196 50 0 DIAARM CCCCc1c(C)nc2ccc(OC)cc2c1SCC(=O)[O-] ZINC000002944618 563941202 /nfs/dbraw/zinc/94/12/02/563941202.db2.gz YFSCTCPESGTING-UHFFFAOYSA-N -1 0 319.426 4.071 50 0 DIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1 ZINC000025761628 568412774 /nfs/dbraw/zinc/41/27/74/568412774.db2.gz GOPLBJNTXBVVEG-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM C[C@]12C[C@@]3(CC1=O)CC[C@@H]1[C@](C)(CCC[C@]1(C)C(=O)[O-])[C@H]3CC2 ZINC000204827684 1042597709 /nfs/dbraw/zinc/59/77/09/1042597709.db2.gz KFVUFODCZDRVSS-GMZFERAJSA-N -1 0 318.457 4.443 50 0 DIAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cccc(C3CC3)c2)c1 ZINC000656250603 1046380972 /nfs/dbraw/zinc/38/09/72/1046380972.db2.gz IOLJCQFFVJTADW-GFCCVEGCSA-N -1 0 309.365 4.004 50 0 DIAARM O=C([O-])C/C(=C/c1cccs1)c1nc2ccccc2s1 ZINC000028498772 1049686214 /nfs/dbraw/zinc/68/62/14/1049686214.db2.gz BBVICNPEUOJULO-NTMALXAHSA-N -1 0 301.392 4.373 50 0 DIAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000253524948 1056322393 /nfs/dbraw/zinc/32/23/93/1056322393.db2.gz MGMOLZNAUACBCR-UTNZCHACSA-N -1 0 318.457 4.011 50 0 DIAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)c(C)c1 ZINC001248504260 1059857071 /nfs/dbraw/zinc/85/70/71/1059857071.db2.gz HGUYAIJBXSQXGV-MRXNPFEDSA-N -1 0 321.376 4.226 50 0 DIAARM CCOc1cccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1 ZINC000000373556 180769836 /nfs/dbraw/zinc/76/98/36/180769836.db2.gz PBBWHAXIWWWXIL-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM CC(=O)c1c(-c2ccc(Cl)cc2)cc2ccc(C(=O)[O-])cn21 ZINC000001261435 180851969 /nfs/dbraw/zinc/85/19/69/180851969.db2.gz QJFNRQVCZAEBHN-UHFFFAOYSA-N -1 0 313.740 4.161 50 0 DIAARM O=C([O-])CSc1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003885990 181052247 /nfs/dbraw/zinc/05/22/47/181052247.db2.gz QQRGUQLAJOQLIW-UHFFFAOYSA-N -1 0 320.369 4.228 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1ccc(O)cc1)CC2 ZINC000003885079 181052505 /nfs/dbraw/zinc/05/25/05/181052505.db2.gz RLRNPHISVAQKAJ-ACCUITESSA-N -1 0 317.344 4.125 50 0 DIAARM CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)[O-])cc1 ZINC000003888174 181052928 /nfs/dbraw/zinc/05/29/28/181052928.db2.gz GSVUCMSCGKUEBU-UHFFFAOYSA-N -1 0 306.365 4.108 50 0 DIAARM Fc1ccc2nc([N-]c3nnc(-c4cccs4)o3)sc2c1 ZINC000004137797 181077797 /nfs/dbraw/zinc/07/77/97/181077797.db2.gz XYUCMYDIAUHHIL-UHFFFAOYSA-N -1 0 318.358 4.291 50 0 DIAARM O=C([O-])/C(=C\c1ccc(Br)cc1)c1cccs1 ZINC000004218821 181085325 /nfs/dbraw/zinc/08/53/25/181085325.db2.gz NSNGEGUYVNWOBX-FLIBITNWSA-N -1 0 309.184 4.136 50 0 DIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cccc3ccccc32)C1 ZINC000004702079 181139518 /nfs/dbraw/zinc/13/95/18/181139518.db2.gz KLMGMFWVIBKJKG-SJORKVTESA-N -1 0 323.392 4.226 50 0 DIAARM C[C@H](CC(=O)[O-])CC(=O)NC1CCCCCCCCCCC1 ZINC000004690751 181137006 /nfs/dbraw/zinc/13/70/06/181137006.db2.gz SAJXJEPCXFRKAQ-HNNXBMFYSA-N -1 0 311.466 4.277 50 0 DIAARM CCc1cccc(CC)c1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776668 181151066 /nfs/dbraw/zinc/15/10/66/181151066.db2.gz GKGGBUOYGOVSLL-UHFFFAOYSA-N -1 0 312.369 4.154 50 0 DIAARM C[P@@](=O)([O-])O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000004844143 181161855 /nfs/dbraw/zinc/16/18/55/181161855.db2.gz KMHLVUNYCANPKI-QMMMGPOBSA-N -1 0 322.141 4.141 50 0 DIAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005344490 181232542 /nfs/dbraw/zinc/23/25/42/181232542.db2.gz CSHSZHDFSIFMNT-CQSZACIVSA-N -1 0 323.175 4.435 50 0 DIAARM Cc1ccc(-n2c(Cc3cccs3)n[n-]c2=S)c(C)c1 ZINC000005687721 181272697 /nfs/dbraw/zinc/27/26/97/181272697.db2.gz AFRSFEXFOGGVHN-UHFFFAOYSA-N -1 0 301.440 4.199 50 0 DIAARM O=c1c2ccc([O-])cc2occ1-c1ccc(Cl)cc1Cl ZINC000005731224 181277683 /nfs/dbraw/zinc/27/76/83/181277683.db2.gz QMSGNLMBWFRALO-UHFFFAOYSA-N -1 0 307.132 4.472 50 0 DIAARM Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)[O-])c1 ZINC000006281719 181325961 /nfs/dbraw/zinc/32/59/61/181325961.db2.gz BXQIAYMIOWYCGX-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 investigational DIAARM Cc1c([O-])ccc2c(=O)c(-c3nc4ccccc4s3)coc12 ZINC000006556312 181354393 /nfs/dbraw/zinc/35/43/93/181354393.db2.gz HDUHSLHZQMUHKY-UHFFFAOYSA-N -1 0 309.346 4.084 50 0 DIAARM CCn1c(=O)c2c(C)c(-c3ccccc3)sc2[n-]c1=S ZINC000006648729 181364827 /nfs/dbraw/zinc/36/48/27/181364827.db2.gz FEEDJVIEAUEBGD-UHFFFAOYSA-N -1 0 302.424 4.116 50 0 DIAARM Cc1c(NC(=O)c2ccc(Cl)c(Cl)c2)cccc1C(=O)[O-] ZINC000006743364 181381344 /nfs/dbraw/zinc/38/13/44/181381344.db2.gz SAUYBDRQLUJOTO-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM CSc1ccccc1[N-]C(=S)NCc1ccc(C)cc1 ZINC000013812610 181900582 /nfs/dbraw/zinc/90/05/82/181900582.db2.gz DOXUIGQODNDLEI-UHFFFAOYSA-N -1 0 302.468 4.204 50 0 DIAARM C[C@H](CCc1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000017032155 182069811 /nfs/dbraw/zinc/06/98/11/182069811.db2.gz MBBDTYBDDBNFFE-CYBMUJFWSA-N -1 0 310.422 4.253 50 0 DIAARM CCCn1c(=O)c2c([n-]c1=S)sc(C)c2-c1ccccc1 ZINC000017054046 182072253 /nfs/dbraw/zinc/07/22/53/182072253.db2.gz JVMOHSMVIPECJA-UHFFFAOYSA-N -1 0 316.451 4.132 50 0 DIAARM O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1ccccc1F ZINC000019793870 182149992 /nfs/dbraw/zinc/14/99/92/182149992.db2.gz QXWSZMMAJYJZEB-UHFFFAOYSA-N -1 0 316.719 4.469 50 0 DIAARM CCOc1ccccc1Nc1cc(C(=O)[O-])c2ccccc2n1 ZINC000021715201 182284814 /nfs/dbraw/zinc/28/48/14/182284814.db2.gz SBROXGMCQCCPSK-UHFFFAOYSA-N -1 0 308.337 4.075 50 0 DIAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(N(C)C)cc3)c2c1 ZINC000021657780 182282658 /nfs/dbraw/zinc/28/26/58/182282658.db2.gz MMUHUPARWYTPQL-UHFFFAOYSA-N -1 0 321.380 4.051 50 0 DIAARM O=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)cc1F ZINC000021950559 182299633 /nfs/dbraw/zinc/29/96/33/182299633.db2.gz OUQIQTSFCNUHCQ-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM O=C([O-])c1cc(-c2ccc(F)cc2)nn1-c1ccccc1Cl ZINC000025761873 182421557 /nfs/dbraw/zinc/42/15/57/182421557.db2.gz OXPRZRNKXURFLN-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM O=C([O-])c1ccc(C(=O)CSc2ccccc2Cl)cc1 ZINC000028527122 182527483 /nfs/dbraw/zinc/52/74/83/182527483.db2.gz WZAYZAJRNFPYCT-UHFFFAOYSA-N -1 0 306.770 4.013 50 0 DIAARM CCCCCc1ccc(C(=O)[C@H]2CC[C@@H](C(=O)[O-])CC2)cc1 ZINC000100590087 193801554 /nfs/dbraw/zinc/80/15/54/193801554.db2.gz YZWXIGMTNZJLRT-QAQDUYKDSA-N -1 0 302.414 4.493 50 0 DIAARM O=C([O-])CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000039004669 183013313 /nfs/dbraw/zinc/01/33/13/183013313.db2.gz FIAKLGDVKKJABU-UHFFFAOYSA-N -1 0 313.784 4.360 50 0 DIAARM C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000038563738 183002442 /nfs/dbraw/zinc/00/24/42/183002442.db2.gz KAYYIYDHRSEWHR-VQEKSIRZSA-N -1 0 320.473 4.091 50 0 biogenic DIAARM O=C([O-])c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000040447878 183068509 /nfs/dbraw/zinc/06/85/09/183068509.db2.gz QVROWMICPJBKTJ-UHFFFAOYSA-N -1 0 317.650 4.244 50 0 DIAARM C[C@@H](C(=O)[O-])c1ccc(OCCc2ccccc2)c(Cl)c1 ZINC000043191009 183343372 /nfs/dbraw/zinc/34/33/72/183343372.db2.gz HFCVYKSQWVFTNQ-GFCCVEGCSA-N -1 0 304.773 4.150 50 0 DIAARM O=C([O-])c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000007603981 256521840 /nfs/dbraw/zinc/52/18/40/256521840.db2.gz OCEGCWDKEIMNHD-UHFFFAOYSA-N -1 0 315.127 4.410 50 0 DIAARM CSc1ccccc1[N-]C(=S)Nc1cccc(C(C)=O)c1 ZINC000000610992 563699401 /nfs/dbraw/zinc/69/94/01/563699401.db2.gz MVNBSBMEUCMDDP-UHFFFAOYSA-N -1 0 316.451 4.420 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1C[C@H](c1ccccc1)CC2 ZINC000000089205 563215178 /nfs/dbraw/zinc/21/51/78/563215178.db2.gz FFIYNTUPTKLZMH-CQSZACIVSA-N -1 0 303.361 4.206 50 0 DIAARM CC(=O)c1sc(C(=O)[O-])c(-c2ccco2)c1-c1ccco1 ZINC000000108412 563218650 /nfs/dbraw/zinc/21/86/50/563218650.db2.gz BURWBYBJXHFOQS-UHFFFAOYSA-N -1 0 302.307 4.169 50 0 DIAARM O=C([O-])/C=C/c1cn(Cc2cc(F)cc(F)c2)c2ccccc12 ZINC000000163612 563226374 /nfs/dbraw/zinc/22/63/74/563226374.db2.gz FMNWUSCUVBOPPC-AATRIKPKSA-N -1 0 313.303 4.066 50 0 DIAARM O=C([O-])c1sccc1OCc1cccc(C(F)(F)F)c1 ZINC000000169910 563227050 /nfs/dbraw/zinc/22/70/50/563227050.db2.gz HIBKNVBSSMQCEE-UHFFFAOYSA-N -1 0 302.273 4.044 50 0 DIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1ccccc1 ZINC000001210238 563279290 /nfs/dbraw/zinc/27/92/90/563279290.db2.gz IMNAHFIVWBGYDS-UHFFFAOYSA-N -1 0 317.344 4.304 50 0 DIAARM CCc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397603 563282704 /nfs/dbraw/zinc/28/27/04/563282704.db2.gz DGRWWEGVDYDLAO-MRXNPFEDSA-N -1 0 316.784 4.344 50 0 DIAARM Cc1ccc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)o1 ZINC000001421774 563283520 /nfs/dbraw/zinc/28/35/20/563283520.db2.gz QEUTUGUJRNCGIE-UHFFFAOYSA-N -1 0 300.339 4.153 50 0 DIAARM CCc1ccc2nc(-c3cccc(OC)c3)cc(C(=O)[O-])c2c1 ZINC000001459355 563284358 /nfs/dbraw/zinc/28/43/58/563284358.db2.gz YWFZEXWHQUJOBM-UHFFFAOYSA-N -1 0 307.349 4.171 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579913 563309853 /nfs/dbraw/zinc/30/98/53/563309853.db2.gz YVDLBAJVLJGXFA-UHFFFAOYSA-N -1 0 302.292 4.313 50 0 DIAARM CCCCCOc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579992 563309913 /nfs/dbraw/zinc/30/99/13/563309913.db2.gz MQZPCXPDYOCOSI-UHFFFAOYSA-N -1 0 306.402 4.473 50 0 DIAARM Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)[O-] ZINC000002650739 563311407 /nfs/dbraw/zinc/31/14/07/563311407.db2.gz BTKJERIPZCSYFB-UHFFFAOYSA-N -1 0 311.768 4.491 50 0 DIAARM CCOc1cccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 ZINC000002801133 563313681 /nfs/dbraw/zinc/31/36/81/563313681.db2.gz NDCSBSQAHAKWBQ-UHFFFAOYSA-N -1 0 307.349 4.307 50 0 DIAARM CSc1ccccc1[N-]C(=S)Nc1ccc(F)cc1F ZINC000002855487 563315086 /nfs/dbraw/zinc/31/50/86/563315086.db2.gz XWOCXHSDHCXEHD-UHFFFAOYSA-N -1 0 310.394 4.496 50 0 DIAARM O=C([O-])/C=C1\c2ccccc2CSc2ccc(Cl)cc21 ZINC000097332977 563322650 /nfs/dbraw/zinc/32/26/50/563322650.db2.gz DALZHJDZKQYSKO-MDWZMJQESA-N -1 0 302.782 4.462 50 0 DIAARM CCCCCCOc1ccc(C(=O)[O-])cc1Br ZINC000007261098 563337470 /nfs/dbraw/zinc/33/74/70/563337470.db2.gz FUAWNQNJBPJZDK-UHFFFAOYSA-N -1 0 301.180 4.106 50 0 DIAARM Cc1nc(Nc2ccc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000008015538 563344163 /nfs/dbraw/zinc/34/41/63/563344163.db2.gz UKYWLRXGZYJQPQ-UHFFFAOYSA-N -1 0 303.170 4.200 50 0 DIAARM CCCc1nc2c(-c3ccccc3)c(C)[n-]n2c(=O)c1Cl ZINC000008856543 563350428 /nfs/dbraw/zinc/35/04/28/563350428.db2.gz UUVOPEJJGVXACA-UHFFFAOYSA-N -1 0 301.777 4.016 50 0 DIAARM Cc1cccc(COc2ccc(Br)cc2C(=O)[O-])c1 ZINC000011825075 563359941 /nfs/dbraw/zinc/35/99/41/563359941.db2.gz HMECRHUNDYYPLS-UHFFFAOYSA-N -1 0 321.170 4.035 50 0 DIAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000011959534 563360958 /nfs/dbraw/zinc/36/09/58/563360958.db2.gz BJEHWAGBEXMWEQ-UHFFFAOYSA-N -1 0 306.745 4.016 50 0 DIAARM O=C([O-])c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000011994241 563361144 /nfs/dbraw/zinc/36/11/44/563361144.db2.gz VZBNADBTEOAFMC-UHFFFAOYSA-N -1 0 315.127 4.410 50 0 DIAARM [O-]c1ccccc1-c1nc2ccccc2c(NCc2ccco2)n1 ZINC000013127514 563378907 /nfs/dbraw/zinc/37/89/07/563378907.db2.gz JJFFMARTXFNMIY-UHFFFAOYSA-N -1 0 317.348 4.208 50 0 DIAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1 ZINC000013947705 563393184 /nfs/dbraw/zinc/39/31/84/563393184.db2.gz XZDBRXSXWXEIBB-ZDUSSCGKSA-N -1 0 318.442 4.013 50 0 DIAARM Cc1cc(C(F)(F)F)nc([N-]c2nc3ccccc3s2)n1 ZINC000017783426 563414862 /nfs/dbraw/zinc/41/48/62/563414862.db2.gz TWBUONOBOQAMRP-UHFFFAOYSA-N -1 0 310.304 4.157 50 0 DIAARM O=C([O-])c1sc(-c2ccc(Cl)cc2)nc1C(F)(F)F ZINC000032911316 563443061 /nfs/dbraw/zinc/44/30/61/563443061.db2.gz AZRXPXWTBXIGDJ-UHFFFAOYSA-N -1 0 307.680 4.181 50 0 DIAARM O=C([O-])Cn1c2ccccc2nc1-c1cccc(Cl)c1Cl ZINC000037400685 563458019 /nfs/dbraw/zinc/45/80/19/563458019.db2.gz PSKJEMKESYNBRO-UHFFFAOYSA-N -1 0 321.163 4.095 50 0 DIAARM Cc1nc2sc(C(=O)[O-])c(-n3cccc3)c2c(C)c1Cl ZINC000000098176 563538392 /nfs/dbraw/zinc/53/83/92/563538392.db2.gz CVIQQMSAGGQFEC-UHFFFAOYSA-N -1 0 306.774 4.055 50 0 DIAARM O=C([O-])[C@H](Sc1nccc(-c2ccccc2)n1)c1ccccc1 ZINC000000155553 563573944 /nfs/dbraw/zinc/57/39/44/563573944.db2.gz SVIMTPGKDJEWJJ-MRXNPFEDSA-N -1 0 322.389 4.062 50 0 DIAARM O=C([O-])[C@@H](Sc1nccc(-c2ccccc2)n1)c1ccccc1 ZINC000000155552 563574054 /nfs/dbraw/zinc/57/40/54/563574054.db2.gz SVIMTPGKDJEWJJ-INIZCTEOSA-N -1 0 322.389 4.062 50 0 DIAARM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(-c2ccccc2)o1 ZINC000000291993 563585229 /nfs/dbraw/zinc/58/52/29/563585229.db2.gz CEOBYFAOCVAIMT-UHFFFAOYSA-N -1 0 321.332 4.206 50 0 DIAARM CSc1c2ccccc2n(Cc2ccccc2)c1CC(=O)[O-] ZINC000000380731 563591425 /nfs/dbraw/zinc/59/14/25/563591425.db2.gz ZNRFHFNEYSLUQB-UHFFFAOYSA-N -1 0 311.406 4.039 50 0 DIAARM CC(C)c1ccc(O[C@@H](C(=O)[O-])C(C)C)c(Br)c1 ZINC000011891637 563601397 /nfs/dbraw/zinc/60/13/97/563601397.db2.gz FAPARIXBAXREGH-CYBMUJFWSA-N -1 0 315.207 4.061 50 0 DIAARM C[C@H](OC(=O)c1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000005515686 563622949 /nfs/dbraw/zinc/62/29/49/563622949.db2.gz XYNYNRGDPIDMSI-ZDUSSCGKSA-N -1 0 320.344 4.456 50 0 DIAARM CCCSc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000583652034 563651742 /nfs/dbraw/zinc/65/17/42/563651742.db2.gz XFQGCOPDQAHKIY-UHFFFAOYSA-N -1 0 315.394 4.139 50 0 DIAARM CCc1ccc(N[C@H](c2ccc(C)cc2C)[P@@](=O)([O-])O)cc1 ZINC000012540647 563799981 /nfs/dbraw/zinc/79/99/81/563799981.db2.gz ZRNHPTWDBAZALF-KRWDZBQOSA-N -1 0 319.341 4.154 50 0 DIAARM O=C([O-])C[C@H](c1ccccc1)c1ccc(Br)cc1 ZINC000025496827 563834441 /nfs/dbraw/zinc/83/44/41/563834441.db2.gz YWVPNKXYIIUHMY-CQSZACIVSA-N -1 0 305.171 4.056 50 0 DIAARM O=C([O-])c1cccc(OCc2csc(-c3ccccc3)n2)c1 ZINC000001482514 563839397 /nfs/dbraw/zinc/83/93/97/563839397.db2.gz NVRNEVVCXPBLLR-UHFFFAOYSA-N -1 0 311.362 4.087 50 0 DIAARM C[Si](C)(C)[C@H]1[C@@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1 ZINC000169828943 563849333 /nfs/dbraw/zinc/84/93/33/563849333.db2.gz WQBLOXHZIPKHPI-IRXDYDNUSA-N -1 0 310.469 4.396 50 0 DIAARM Cc1cccc2sc(NC(=O)c3ccc([O-])c(Cl)c3)nc21 ZINC000013003091 563875050 /nfs/dbraw/zinc/87/50/50/563875050.db2.gz HFMWGJYAIGYCOH-UHFFFAOYSA-N -1 0 318.785 4.216 50 0 DIAARM C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000253497489 563884359 /nfs/dbraw/zinc/88/43/59/563884359.db2.gz MGMOLZNAUACBCR-NGYREGHCSA-N -1 0 318.457 4.011 50 0 DIAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007737333 563918577 /nfs/dbraw/zinc/91/85/77/563918577.db2.gz VYTIFZCBASFWQZ-CQSZACIVSA-N -1 0 318.200 4.213 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1cccnc1 ZINC000057435462 563941613 /nfs/dbraw/zinc/94/16/13/563941613.db2.gz DLNJXWGINCOZGW-KAMYIIQDSA-N -1 0 316.360 4.205 50 0 DIAARM O=C([O-])c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000008769030 563950720 /nfs/dbraw/zinc/95/07/20/563950720.db2.gz ZKQKWBGHGLJVCP-UHFFFAOYSA-N -1 0 316.165 4.005 50 0 DIAARM CC(C)(C)c1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000101029699 1041372298 /nfs/dbraw/zinc/37/22/98/1041372298.db2.gz APSUXEZYVSNBQS-UHFFFAOYSA-N -1 0 301.777 4.053 50 0 DIAARM O=C([N-][C@@H](c1ccccc1)c1cccc(Cl)c1)C(F)(F)F ZINC000004996929 1042129379 /nfs/dbraw/zinc/12/93/79/1042129379.db2.gz ILQAUYGYJVFPHM-ZDUSSCGKSA-N -1 0 313.706 4.108 50 0 DIAARM O=C([O-])c1cc(NN=Cc2ccccc2Cl)ccc1Cl ZINC000254490521 1047217434 /nfs/dbraw/zinc/21/74/34/1047217434.db2.gz VJOQMOMQIVHVMP-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM Oc1c(Br)ccc2ccc(Br)cc12 ZINC000071477603 1053690024 /nfs/dbraw/zinc/69/00/24/1053690024.db2.gz JBJOIRBOHOFRGC-UHFFFAOYSA-N -1 0 301.965 4.070 50 0 DIAARM CN(Cc1ccccc1)c1nc(-c2ccccc2)ccc1C(=O)[O-] ZINC000299779515 530000825 /nfs/dbraw/zinc/00/08/25/530000825.db2.gz OQCTWAOPERZVBQ-UHFFFAOYSA-N -1 0 318.376 4.083 50 0 DIAARM CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)[O-] ZINC000070426892 190889917 /nfs/dbraw/zinc/88/99/17/190889917.db2.gz CJHBOPAQVKEDHQ-UHFFFAOYSA-N -1 0 300.141 4.470 50 0 DIAARM O=C([O-])C1(C(O)(c2ccccc2)c2ccccc2)CCCCCC1 ZINC000071767389 191028659 /nfs/dbraw/zinc/02/86/59/191028659.db2.gz MOAVXVJLVOAZLX-UHFFFAOYSA-N -1 0 324.420 4.348 50 0 DIAARM COc1ccc(C2CCCCC2)cc1C(=O)C[C@@H](C)C(=O)[O-] ZINC000071770743 191030117 /nfs/dbraw/zinc/03/01/17/191030117.db2.gz ZQNSCWNCOJQZJA-GFCCVEGCSA-N -1 0 304.386 4.036 50 0 DIAARM Cc1oc2ccc(OCc3ccccc3F)cc2c1C(=O)[O-] ZINC000000096573 180691312 /nfs/dbraw/zinc/69/13/12/180691312.db2.gz HOHKJLIJQNVRKT-UHFFFAOYSA-N -1 0 300.285 4.158 50 0 aggregator DIAARM O=C([O-])/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000000168037 180713427 /nfs/dbraw/zinc/71/34/27/180713427.db2.gz IQKGJSMNIONIGP-RMKNXTFCSA-N -1 0 306.720 4.156 50 0 DIAARM COc1cccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)c1 ZINC000001009123 180840992 /nfs/dbraw/zinc/84/09/92/180840992.db2.gz VECQATGGKKNUFY-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM O=C([O-])CCCCCCC(=O)c1cccc(Br)c1 ZINC000002378609 180921423 /nfs/dbraw/zinc/92/14/23/180921423.db2.gz SCDJZRUEXCGRND-UHFFFAOYSA-N -1 0 313.191 4.057 50 0 DIAARM Cc1ccc(C[C@H](SCc2ccccc2)C(=O)[O-])cc1C ZINC000003351144 181010564 /nfs/dbraw/zinc/01/05/64/181010564.db2.gz MWSHUOPFKCDYQP-KRWDZBQOSA-N -1 0 300.423 4.233 50 0 DIAARM Cc1nn(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000004237728 181087098 /nfs/dbraw/zinc/08/70/98/181087098.db2.gz DPYAGPGSLPLMSR-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM S=c1[n-]nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 ZINC000004262900 181089408 /nfs/dbraw/zinc/08/94/08/181089408.db2.gz JELYZKZJXWUPJY-UHFFFAOYSA-N -1 0 311.454 4.398 50 0 DIAARM O=C([O-])/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000004419154 181107883 /nfs/dbraw/zinc/10/78/83/181107883.db2.gz ORQBOHAXFHNATG-XBXARRHUSA-N -1 0 306.720 4.156 50 0 DIAARM Cc1[nH]c2ccccc2c1[C@@H](CC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000004488161 181114332 /nfs/dbraw/zinc/11/43/32/181114332.db2.gz DTRLWEPPVCXYIH-MRXNPFEDSA-N -1 0 321.376 4.226 50 0 DIAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)cc(C)c3n2)cc1 ZINC000004651985 181132295 /nfs/dbraw/zinc/13/22/95/181132295.db2.gz ZQZABHXTSVSWRN-UHFFFAOYSA-N -1 0 307.349 4.225 50 0 DIAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000004711775 181141129 /nfs/dbraw/zinc/14/11/29/181141129.db2.gz BRBDSRHNMGFNMR-UHFFFAOYSA-N -1 0 314.341 4.391 50 0 DIAARM CCCc1sc(NC(=O)c2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000004808260 181154514 /nfs/dbraw/zinc/15/45/14/181154514.db2.gz KSVXHZJDBUYMIR-UHFFFAOYSA-N -1 0 317.410 4.268 50 0 DIAARM CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)[O-] ZINC000004899526 181170096 /nfs/dbraw/zinc/17/00/96/181170096.db2.gz HPTPZJBSQUULAV-UHFFFAOYSA-N -1 0 301.427 4.107 50 0 DIAARM O=C([O-])c1cc(F)cc(-c2ccccc2OC(F)(F)F)c1 ZINC000074937794 191391574 /nfs/dbraw/zinc/39/15/74/191391574.db2.gz HMPACGRUTXTZNL-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM CCc1ccc(-n2c(CCc3ccccc3)n[n-]c2=S)cc1 ZINC000005823283 181287289 /nfs/dbraw/zinc/28/72/89/181287289.db2.gz DALDMAAFNXFGOM-UHFFFAOYSA-N -1 0 309.438 4.277 50 0 DIAARM CCCCc1cc2c(cc1[O-])occ(-c1csc(C)n1)c2=O ZINC000005850208 181289923 /nfs/dbraw/zinc/28/99/23/181289923.db2.gz OAAKSYZSODQGDE-UHFFFAOYSA-N -1 0 315.394 4.273 50 0 biogenic DIAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(C4CCCC4)c(=O)c23)C1 ZINC000005926410 181296323 /nfs/dbraw/zinc/29/63/23/181296323.db2.gz FRXFGMWTNXDVCD-SECBINFHSA-N -1 0 320.483 4.360 50 0 DIAARM COc1ccccc1-n1c(=S)[n-]nc1[C@@H]1C[C@H]1c1ccccc1 ZINC000006275337 181324853 /nfs/dbraw/zinc/32/48/53/181324853.db2.gz CGPYXFDKOIJFLY-UONOGXRCSA-N -1 0 323.421 4.210 50 0 DIAARM COc1ccccc1/C=C/c1cc(C(=O)[O-])c2ccccc2n1 ZINC000006407728 181338116 /nfs/dbraw/zinc/33/81/16/181338116.db2.gz USOOLDIXEAFCTJ-ZHACJKMWSA-N -1 0 305.333 4.112 50 0 DIAARM CC(C)Cn1c(=O)c2c(-c3ccccc3)csc2[n-]c1=S ZINC000006459379 181342642 /nfs/dbraw/zinc/34/26/42/181342642.db2.gz SLFOSXHVFRUTGB-UHFFFAOYSA-N -1 0 316.451 4.444 50 0 DIAARM CCCc1cc(=O)n2[n-]c(C)c(-c3cccc4ccccc43)c2n1 ZINC000006493350 181346034 /nfs/dbraw/zinc/34/60/34/181346034.db2.gz UCZXOTSMEYBLCJ-UHFFFAOYSA-N -1 0 317.392 4.104 50 0 DIAARM S=c1[n-]nc(CNc2ccccc2Cl)n1-c1ccccc1 ZINC000006534209 181352126 /nfs/dbraw/zinc/35/21/26/181352126.db2.gz JRIGBAFIHDCNSU-UHFFFAOYSA-N -1 0 316.817 4.195 50 0 DIAARM COc1ccc2nc(/C=C/c3ccc(C(=O)[O-])cc3)sc2c1 ZINC000006583240 181356953 /nfs/dbraw/zinc/35/69/53/181356953.db2.gz DHBJDMZEAXGVBB-RUDMXATFSA-N -1 0 311.362 4.174 50 0 DIAARM CC(C)c1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000006699014 181372204 /nfs/dbraw/zinc/37/22/04/181372204.db2.gz WDOJAOHKHBJSJN-UHFFFAOYSA-N -1 0 312.369 4.081 50 0 DIAARM Cc1ccc(Cn2cc(CCCC(=O)[O-])c3ccccc32)cc1 ZINC000006751206 181383407 /nfs/dbraw/zinc/38/34/07/181383407.db2.gz COBCTUMBMHGDKI-UHFFFAOYSA-N -1 0 307.393 4.405 50 0 DIAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2)s1 ZINC000012760869 181794619 /nfs/dbraw/zinc/79/46/19/181794619.db2.gz FTJNPBDQEVRWEI-SOFGYWHQSA-N -1 0 309.184 4.275 50 0 DIAARM CCCc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000017053424 182071217 /nfs/dbraw/zinc/07/12/17/182071217.db2.gz DYZBVEYQKNNFER-IAGOWNOFSA-N -1 0 315.413 4.025 50 0 DIAARM CCCc1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000017053420 182071525 /nfs/dbraw/zinc/07/15/25/182071525.db2.gz DYZBVEYQKNNFER-IRXDYDNUSA-N -1 0 315.413 4.025 50 0 DIAARM CCCCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C)CC3 ZINC000017056307 182073262 /nfs/dbraw/zinc/07/32/62/182073262.db2.gz YSXYXLRHWZNLBM-JTQLQIEISA-N -1 0 322.499 4.436 50 0 DIAARM CC(C)c1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1CCC2 ZINC000018062281 182091460 /nfs/dbraw/zinc/09/14/60/182091460.db2.gz YJHAKBFQXQBSNZ-UHFFFAOYSA-N -1 0 317.439 4.220 50 0 DIAARM C[C@@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)[O-] ZINC000019723483 182139642 /nfs/dbraw/zinc/13/96/42/182139642.db2.gz GABFCYXGNGRLDU-XUXNNNHQSA-N -1 0 300.398 4.006 50 0 DIAARM O=C([O-])/C=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000033317411 182703790 /nfs/dbraw/zinc/70/37/90/182703790.db2.gz ORQBOHAXFHNATG-YWEYNIOJSA-N -1 0 306.720 4.156 50 0 DIAARM O=C([O-])c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000039368399 183017223 /nfs/dbraw/zinc/01/72/23/183017223.db2.gz KAFWCOSILBKDLT-UHFFFAOYSA-N -1 0 317.650 4.244 50 0 DIAARM CC(C)(C)OC(=O)Nc1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000040449472 183067962 /nfs/dbraw/zinc/06/79/62/183067962.db2.gz HAEPMXWZNSSFAB-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM CC(C)Oc1ccc(CNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000043190926 183343414 /nfs/dbraw/zinc/34/34/14/183343414.db2.gz NRUNKAOGVMOOLN-UHFFFAOYSA-N -1 0 319.788 4.438 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1C(F)(F)F ZINC000043879414 183388532 /nfs/dbraw/zinc/38/85/32/183388532.db2.gz LDUOFKAZKGAMHJ-WDEREUQCSA-N -1 0 314.303 4.169 50 0 DIAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2ccccc2C(F)(F)F)C1 ZINC000043879483 183388559 /nfs/dbraw/zinc/38/85/59/183388559.db2.gz GQXBAYXYFBWKJZ-WDEREUQCSA-N -1 0 314.303 4.169 50 0 DIAARM CC(C)c1ccc(-c2nc3c(s2)C[C@@H](C(=O)[O-])CC3)cc1 ZINC000057630204 184042773 /nfs/dbraw/zinc/04/27/73/184042773.db2.gz HRQLHWXBVQRPDX-ZDUSSCGKSA-N -1 0 301.411 4.123 50 0 DIAARM CCC[C@H](CC1(C(=O)[O-])CCCC1)C(=O)OCc1ccccc1 ZINC000059896308 184142492 /nfs/dbraw/zinc/14/24/92/184142492.db2.gz PQKUDTSQPVEIQW-MRXNPFEDSA-N -1 0 318.413 4.181 50 0 DIAARM O=C([O-])c1ccc(F)c(-c2cccc(OC(F)(F)F)c2)c1 ZINC000065354782 184327347 /nfs/dbraw/zinc/32/73/47/184327347.db2.gz BRSDOXGZEIXWNW-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000091676187 257137218 /nfs/dbraw/zinc/13/72/18/257137218.db2.gz RENRMPYCHNGXOQ-PWSUYJOCSA-N -1 0 314.303 4.169 50 0 DIAARM CC(C)Sc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000521394000 332143887 /nfs/dbraw/zinc/14/38/87/332143887.db2.gz UEWZBGHTSDQRSC-UHFFFAOYSA-N -1 0 315.394 4.138 50 0 DIAARM O=C([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000033559683 563847374 /nfs/dbraw/zinc/84/73/74/563847374.db2.gz JBYNKSDLTXKRAQ-UHFFFAOYSA-N -1 0 307.136 4.235 50 0 DIAARM Cc1cccc(C)c1NS(=O)(=O)c1cc(C)c(C)cc1C ZINC000252510868 563916557 /nfs/dbraw/zinc/91/65/57/563916557.db2.gz ZQELDSJORUBDAU-UHFFFAOYSA-N -1 0 303.427 4.030 50 0 DIAARM O=C(c1cc(Cl)ccc1[O-])c1ccccc1Br ZINC000000058213 563212262 /nfs/dbraw/zinc/21/22/62/563212262.db2.gz GBQHJGZKBNIMOF-UHFFFAOYSA-N -1 0 311.562 4.039 50 0 DIAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2-c1ccc(Cl)cc1 ZINC000000186172 563229206 /nfs/dbraw/zinc/22/92/06/563229206.db2.gz JDDYWRZEGDOCSH-UHFFFAOYSA-N -1 0 315.756 4.299 50 0 DIAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000000470084 563259973 /nfs/dbraw/zinc/25/99/73/563259973.db2.gz NHURBLZOJFIXFC-UHFFFAOYSA-N -1 0 306.745 4.016 50 0 DIAARM O=C([O-])Cc1sc(Nc2ccccc2)nc1-c1ccccc1 ZINC000000552531 563266044 /nfs/dbraw/zinc/26/60/44/563266044.db2.gz PXJWQRNWNJPWPS-UHFFFAOYSA-N -1 0 310.378 4.181 50 0 DIAARM O=C([O-])c1csc(-c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000001039461 563275401 /nfs/dbraw/zinc/27/54/01/563275401.db2.gz VIHHGMUWGUHGCU-UHFFFAOYSA-N -1 0 307.680 4.181 50 0 DIAARM O=c1c(-c2ccccc2Cl)c[n-]n1-c1ccc(Cl)cc1 ZINC000001400737 563282697 /nfs/dbraw/zinc/28/26/97/563282697.db2.gz MTXDMFPVCSZJBK-UHFFFAOYSA-N -1 0 305.164 4.139 50 0 DIAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000001397581 563282712 /nfs/dbraw/zinc/28/27/12/563282712.db2.gz QRFWYVKMJFYDEZ-CQSZACIVSA-N -1 0 323.175 4.435 50 0 DIAARM Cc1cccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)[O-])c1 ZINC000006234456 563331985 /nfs/dbraw/zinc/33/19/85/563331985.db2.gz CKJZIZWJNVZTCG-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000007603908 563340227 /nfs/dbraw/zinc/34/02/27/563340227.db2.gz UVUCBJWIKNHUCJ-UHFFFAOYSA-N -1 0 324.735 4.155 50 0 DIAARM O=c1oc2cc([O-])ccc2cc1-c1ccccc1OC(F)(F)F ZINC000011765885 563359336 /nfs/dbraw/zinc/35/93/36/563359336.db2.gz VSAMMJZZFGTKRP-UHFFFAOYSA-N -1 0 322.238 4.064 50 0 biogenic DIAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1CCc1ccccc1 ZINC000004370972 563374558 /nfs/dbraw/zinc/37/45/58/563374558.db2.gz RAPRESSMAUTGPW-UHFFFAOYSA-N -1 0 322.389 4.048 50 0 DIAARM Cc1cc(Nc2ccc(F)c(F)c2)nc(-c2ccccc2[O-])n1 ZINC000013126814 563378693 /nfs/dbraw/zinc/37/86/93/563378693.db2.gz OTVFFAMHFLIPFE-UHFFFAOYSA-N -1 0 313.307 4.179 50 0 DIAARM CCCc1sc(C(=O)[O-])cc1-c1ccc(C[NH+](C)C)cc1 ZINC000032540596 563442718 /nfs/dbraw/zinc/44/27/18/563442718.db2.gz FYWULPWYDZRLSL-UHFFFAOYSA-N -1 0 303.427 4.127 50 0 DIAARM COc1ccccc1[C@@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000002830527 563449067 /nfs/dbraw/zinc/44/90/67/563449067.db2.gz BFKNLMVGEGIXLT-KRWDZBQOSA-N -1 0 314.381 4.089 50 0 biogenic DIAARM Cc1ccc(C(=O)C[C@@H](SC2CCCCC2)C(=O)[O-])cc1 ZINC000000044116 563511756 /nfs/dbraw/zinc/51/17/56/563511756.db2.gz BCRWWNFDHMXULL-MRXNPFEDSA-N -1 0 306.427 4.087 50 0 DIAARM CC(C)(C)C(=O)Nc1scc(-c2cccs2)c1C(=O)[O-] ZINC000000227463 563579926 /nfs/dbraw/zinc/57/99/26/563579926.db2.gz GTBLERVDVYDGCK-UHFFFAOYSA-N -1 0 309.412 4.159 50 0 DIAARM O=C([O-])[C@H](Sc1ccc(Br)cc1)c1ccccc1 ZINC000011823490 563599503 /nfs/dbraw/zinc/59/95/03/563599503.db2.gz FLQQKZNEPRVZNM-CYBMUJFWSA-N -1 0 323.211 4.367 50 0 DIAARM C[C@@H]1C[C@H]2c3cccc(C(=O)[O-])c3C(=O)N2[C@@H](C)c2ccccc21 ZINC000000488916 563649224 /nfs/dbraw/zinc/64/92/24/563649224.db2.gz KOXAUIJMWHCIOC-PEBVRCNWSA-N -1 0 321.376 4.150 50 0 biogenic DIAARM Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccccc1 ZINC000104038666 563671950 /nfs/dbraw/zinc/67/19/50/563671950.db2.gz WGBQFRGJNPHFNI-UHFFFAOYSA-N -1 0 315.376 4.001 50 0 DIAARM CC(C)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000003230493 563799931 /nfs/dbraw/zinc/79/99/31/563799931.db2.gz KFKMWCBMEIBPDD-UHFFFAOYSA-N -1 0 303.402 4.174 50 0 DIAARM C[Si](C)(C)[C@@H]1[C@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1 ZINC000169828935 563849573 /nfs/dbraw/zinc/84/95/73/563849573.db2.gz WQBLOXHZIPKHPI-IAGOWNOFSA-N -1 0 310.469 4.396 50 0 DIAARM O=C([O-])c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000001732208 563870889 /nfs/dbraw/zinc/87/08/89/563870889.db2.gz JMSHMYPVISDPSH-UHFFFAOYSA-N -1 0 306.321 4.182 50 0 DIAARM Cc1cc(F)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000007381967 563905822 /nfs/dbraw/zinc/90/58/22/563905822.db2.gz QRWJQJVZJFCJOL-UHFFFAOYSA-N -1 0 307.390 4.058 50 0 DIAARM CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 ZINC000007381971 563905831 /nfs/dbraw/zinc/90/58/31/563905831.db2.gz NCIHEGRPZYIGJE-LBPRGKRZSA-N -1 0 321.417 4.448 50 0 DIAARM CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 ZINC000007381970 563905871 /nfs/dbraw/zinc/90/58/71/563905871.db2.gz NCIHEGRPZYIGJE-GFCCVEGCSA-N -1 0 321.417 4.448 50 0 DIAARM CCCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000002323859 563925994 /nfs/dbraw/zinc/92/59/94/563925994.db2.gz BZTSMNIIIDBIHN-NWDGAFQWSA-N -1 0 311.809 4.196 50 0 DIAARM Cc1cccc(C(C)C)c1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000008939746 563951508 /nfs/dbraw/zinc/95/15/08/563951508.db2.gz ZXYPRFNGLNQXRP-UHFFFAOYSA-N -1 0 303.402 4.092 50 0 DIAARM Cc1nc2c3ccccc3oc2c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000009970667 563958201 /nfs/dbraw/zinc/95/82/01/563958201.db2.gz AXJKDAFECGXWSK-UHFFFAOYSA-N -1 0 319.320 4.126 50 0 DIAARM O=C([O-])C/C(=C\c1cccc(Cl)c1)c1nc2ccccc2o1 ZINC000007000975 1044619061 /nfs/dbraw/zinc/61/90/61/1044619061.db2.gz IUPYUPUPINKMIM-XYOKQWHBSA-N -1 0 313.740 4.497 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1cccc(O)c1)CC2 ZINC000095950287 1046798555 /nfs/dbraw/zinc/79/85/55/1046798555.db2.gz CHOAZCGGZSQAOZ-RAXLEYEMSA-N -1 0 317.344 4.125 50 0 DIAARM O=C([O-])c1ccc(/C=C/C(=O)c2ccc(F)cc2F)c(Cl)c1 ZINC000096009378 1046809622 /nfs/dbraw/zinc/80/96/22/1046809622.db2.gz YGTZININVPQALF-ZZXKWVIFSA-N -1 0 322.694 4.213 50 0 DIAARM Cc1nc(-c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000630575482 1050811729 /nfs/dbraw/zinc/81/17/29/1050811729.db2.gz NCWPZMXCVAFYCH-UHFFFAOYSA-N -1 0 301.289 4.144 50 0 DIAARM Cc1cc(C)c2c(-c3oc4ccccc4c3[O-])cc(=O)oc2c1C ZINC000253403774 186307704 /nfs/dbraw/zinc/30/77/04/186307704.db2.gz HKRAGOMFTSSNBL-FQEVSTJZSA-N -1 0 320.344 4.035 50 0 biogenic DIAARM Cc1ccccc1NC(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-] ZINC000000191310 180720656 /nfs/dbraw/zinc/72/06/56/180720656.db2.gz JDRFZFUGKKFYLO-UHFFFAOYSA-N -1 0 324.163 4.252 50 0 DIAARM CC(C)CSc1nc2ccc(NCCCC(=O)[O-])cc2s1 ZINC000003106410 180982047 /nfs/dbraw/zinc/98/20/47/180982047.db2.gz QBYSHDFPMQPNTA-UHFFFAOYSA-N -1 0 324.471 4.321 50 0 DIAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccco1 ZINC000003885080 181052452 /nfs/dbraw/zinc/05/24/52/181052452.db2.gz JEPMFTHJOIMUBS-VAWYXSNFSA-N -1 0 305.333 4.403 50 0 DIAARM O=C([O-])CCCCCCCCCCCNC(=O)c1ccccc1 ZINC000004146817 181079103 /nfs/dbraw/zinc/07/91/03/181079103.db2.gz FVVJHTSFGSOCCE-UHFFFAOYSA-N -1 0 319.445 4.402 50 0 DIAARM O=C([O-])c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000004294540 181093947 /nfs/dbraw/zinc/09/39/47/181093947.db2.gz RLTLLVPPTQCUEW-UHFFFAOYSA-N -1 0 308.333 4.148 50 0 DIAARM CCCCCOc1ccc(-c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000004774883 181150642 /nfs/dbraw/zinc/15/06/42/181150642.db2.gz BSJIUDURPZNWSZ-UHFFFAOYSA-N -1 0 322.408 4.397 50 0 DIAARM Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000005059929 181198749 /nfs/dbraw/zinc/19/87/49/181198749.db2.gz GCUSQOIIEDEJAI-UHFFFAOYSA-N -1 0 309.321 4.000 50 0 DIAARM O=C([O-])C/C(=C\c1c(F)cccc1F)c1nc2ccccc2o1 ZINC000005110262 181204323 /nfs/dbraw/zinc/20/43/23/181204323.db2.gz LYRBWYYBMFFDQZ-CSKARUKUSA-N -1 0 315.275 4.121 50 0 DIAARM S=c1[n-]nc(-c2ccncc2)n1-c1ccc2ccccc2c1 ZINC000005332367 181230099 /nfs/dbraw/zinc/23/00/99/181230099.db2.gz WGSPDZRJWDJTFY-UHFFFAOYSA-N -1 0 304.378 4.145 50 0 DIAARM O=C([O-])Cc1sc(Nc2ccccc2)nc1-c1cccs1 ZINC000005338454 181231670 /nfs/dbraw/zinc/23/16/70/181231670.db2.gz KTDDUAAIHGVXDW-UHFFFAOYSA-N -1 0 316.407 4.242 50 0 DIAARM S=c1[n-]nc(SCc2ccc(Cl)cc2Cl)s1 ZINC000005427143 181242079 /nfs/dbraw/zinc/24/20/79/181242079.db2.gz XPKHYWRIWANKDK-UHFFFAOYSA-N -1 0 309.268 4.426 50 0 DIAARM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(Cl)cc2)cc1 ZINC000005617977 181264305 /nfs/dbraw/zinc/26/43/05/181264305.db2.gz CUHBVUBREUIUDP-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM CCCc1oc2cc([O-])ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000005686262 181272397 /nfs/dbraw/zinc/27/23/97/181272397.db2.gz SXRHSKQJXGYEDX-UHFFFAOYSA-N -1 0 314.312 4.383 50 0 DIAARM CCCCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 ZINC000006016326 181306062 /nfs/dbraw/zinc/30/60/62/181306062.db2.gz XRQZXBAWFFSIET-UHFFFAOYSA-N -1 0 308.472 4.190 50 0 DIAARM CC[C@H](C)n1c(=O)c2c3c(sc2[n-]c1=S)CCCCC3 ZINC000006016532 181306150 /nfs/dbraw/zinc/30/61/50/181306150.db2.gz WNVVRBNEHYWVHG-VIFPVBQESA-N -1 0 308.472 4.360 50 0 DIAARM CC(C)CCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C)CC3 ZINC000006295083 181327252 /nfs/dbraw/zinc/32/72/52/181327252.db2.gz NAYUFDKNQOJCNA-JTQLQIEISA-N -1 0 322.499 4.291 50 0 DIAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1c(F)cccc1Cl ZINC000006383626 181336723 /nfs/dbraw/zinc/33/67/23/181336723.db2.gz RFJXFLGJKBKPCU-UHFFFAOYSA-N -1 0 304.704 4.267 50 0 DIAARM CCc1cc2c(cc1[O-])occ(-c1ccc3ccccc3n1)c2=O ZINC000006519582 181348479 /nfs/dbraw/zinc/34/84/79/181348479.db2.gz XQDACQSBFZFYBI-UHFFFAOYSA-N -1 0 317.344 4.276 50 0 biogenic DIAARM C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)[O-] ZINC000245239779 202512481 /nfs/dbraw/zinc/51/24/81/202512481.db2.gz MGMOLZNAUACBCR-FYKNWRSHSA-N -1 0 318.457 4.011 50 0 DIAARM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(C)c1 ZINC000006550731 181353134 /nfs/dbraw/zinc/35/31/34/181353134.db2.gz JRJNZRDYZOXMCQ-UHFFFAOYSA-N -1 0 303.402 4.057 50 0 DIAARM Cc1ccccc1-c1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000006557091 181354273 /nfs/dbraw/zinc/35/42/73/181354273.db2.gz GVKVZNZXUONQJU-UHFFFAOYSA-N -1 0 320.266 4.493 50 0 DIAARM Fc1cnc(-c2ncc(C(F)(F)F)cc2Cl)[n-]c1=S ZINC000261494876 203073103 /nfs/dbraw/zinc/07/31/03/203073103.db2.gz PDUAMVNWTJTQIE-UHFFFAOYSA-N -1 0 309.675 4.012 50 0 DIAARM COc1cccc(-c2nc(C(=O)[O-])cc3c4ccccc4[nH]c32)c1 ZINC000020403763 182214959 /nfs/dbraw/zinc/21/49/59/182214959.db2.gz VZZJBGYQBQWYMG-UHFFFAOYSA-N -1 0 318.332 4.090 50 0 DIAARM O=C([O-])c1cc(-c2ccccc2OC(F)(F)F)ccc1F ZINC000021951007 182300082 /nfs/dbraw/zinc/30/00/82/182300082.db2.gz YZCWPPJRAAJVSW-UHFFFAOYSA-N -1 0 300.207 4.090 50 0 DIAARM CC(C)c1ccc(N[C@@H](c2cccc(F)c2)[P@@](=O)([O-])O)cc1 ZINC000024769738 182390765 /nfs/dbraw/zinc/39/07/65/182390765.db2.gz DXCNJARZTPCTIW-MRXNPFEDSA-N -1 0 323.304 4.238 50 0 DIAARM CC(C)(C)OC(=O)Nc1cccc(-c2ccccc2C(=O)[O-])c1 ZINC000040449469 183068293 /nfs/dbraw/zinc/06/82/93/183068293.db2.gz KHXCCLSJKVUBSB-UHFFFAOYSA-N -1 0 313.353 4.399 50 0 DIAARM COc1ccccc1-c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000058441893 184119125 /nfs/dbraw/zinc/11/91/25/184119125.db2.gz NDOGHBIQYAOBPG-UHFFFAOYSA-N -1 0 311.362 4.184 50 0 DIAARM Cc1cc(-c2cccc3cccnc32)nc(-c2ccccc2[O-])n1 ZINC000065371781 184330177 /nfs/dbraw/zinc/33/01/77/184330177.db2.gz OCVIHZTVJRYNOW-UHFFFAOYSA-N -1 0 313.360 4.373 50 0 DIAARM CC(C)(C)c1cc(=O)n(-c2nc3ccc(Cl)cc3s2)[n-]1 ZINC000000107052 563217968 /nfs/dbraw/zinc/21/79/68/563217968.db2.gz PZAXHXFHBHHFNG-UHFFFAOYSA-N -1 0 307.806 4.089 50 0 DIAARM Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1NC(=O)/C=C/C(=O)[O-] ZINC000000139586 563222699 /nfs/dbraw/zinc/22/26/99/563222699.db2.gz ATAPINMWSGGUOX-CMDGGOBGSA-N -1 0 317.429 4.169 50 0 DIAARM O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[O-] ZINC000000263553 563234450 /nfs/dbraw/zinc/23/44/50/563234450.db2.gz OAMVIBKEICGPKK-UHFFFAOYSA-N -1 0 315.678 4.317 50 0 DIAARM C[C@@H]1CCCCN1c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000000309868 563239093 /nfs/dbraw/zinc/23/90/93/563239093.db2.gz CQMCTCYWRXYEGP-CQSZACIVSA-N -1 0 319.408 4.381 50 0 DIAARM CCc1nc([N-]c2nc3ccccc3s2)nc2c1CCCC2 ZINC000000316553 563240082 /nfs/dbraw/zinc/24/00/82/563240082.db2.gz HTZMETHWZMJZTG-UHFFFAOYSA-N -1 0 310.426 4.271 50 0 DIAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1ccc(Cl)cc1 ZINC000000374005 563247079 /nfs/dbraw/zinc/24/70/79/563247079.db2.gz QYEFTSSKRKWPDA-YCRREMRBSA-N -1 0 318.756 4.025 50 0 DIAARM O=C([O-])c1ccccc1CSc1nc2ccccc2s1 ZINC000001425442 563283506 /nfs/dbraw/zinc/28/35/06/563283506.db2.gz YMLKRZCJZALYNQ-UHFFFAOYSA-N -1 0 301.392 4.287 50 0 DIAARM O=C([O-])c1ccccc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000001503419 563284906 /nfs/dbraw/zinc/28/49/06/563284906.db2.gz SHJBGWACJFQUKQ-UHFFFAOYSA-N -1 0 317.650 4.244 50 0 DIAARM CCc1cccc2c([C@@H](CC(=O)c3ccccc3)C(=O)[O-])c[nH]c21 ZINC000002561585 563309146 /nfs/dbraw/zinc/30/91/46/563309146.db2.gz SLRXORCPPZDEIL-MRXNPFEDSA-N -1 0 321.376 4.172 50 0 DIAARM O=C([O-])c1cc(-c2nc3ccccc3s2)nc2ccccc21 ZINC000003165305 563323040 /nfs/dbraw/zinc/32/30/40/563323040.db2.gz PJSNDFWBSLYBJB-UHFFFAOYSA-N -1 0 306.346 4.210 50 0 DIAARM CC1(C)C=Cc2cc(-c3coc4cc([O-])ccc4c3=O)ccc2O1 ZINC000013408703 563381218 /nfs/dbraw/zinc/38/12/18/563381218.db2.gz PWAACAMQKVIVPZ-UHFFFAOYSA-N -1 0 320.344 4.350 50 0 biogenic,in-vitro DIAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1 ZINC000013947733 563393156 /nfs/dbraw/zinc/39/31/56/563393156.db2.gz BBWLRMNIGVBZHE-LLVKDONJSA-N -1 0 324.833 4.049 50 0 DIAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000000470547 563448218 /nfs/dbraw/zinc/44/82/18/563448218.db2.gz BGTRSNJLDCFGHG-UHFFFAOYSA-N -1 0 315.847 4.326 50 0 DIAARM O=C([O-])c1c2ccccc2[nH]c1-c1cccc(Br)c1 ZINC000034792411 563451263 /nfs/dbraw/zinc/45/12/63/563451263.db2.gz WGROSKJCWFTBRQ-UHFFFAOYSA-N -1 0 316.154 4.296 50 0 DIAARM Cn1c(=O)c(Sc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100623600 563552108 /nfs/dbraw/zinc/55/21/08/563552108.db2.gz OGWAVYRLKFWRKO-UHFFFAOYSA-N -1 0 317.797 4.049 50 0 DIAARM CCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000102802762 563560143 /nfs/dbraw/zinc/56/01/43/563560143.db2.gz NQYQNMULSDPION-UHFFFAOYSA-N -1 0 315.804 4.325 50 0 DIAARM Cc1cccc(C(=O)Nc2scc(CC(C)C)c2C(=O)[O-])c1 ZINC000000227478 563579954 /nfs/dbraw/zinc/57/99/54/563579954.db2.gz JBMZFEUXARNHIT-UHFFFAOYSA-N -1 0 317.410 4.206 50 0 DIAARM CC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(C)cc1C ZINC000000257829 563583068 /nfs/dbraw/zinc/58/30/68/563583068.db2.gz QYJHHWOMDALJEP-UHFFFAOYSA-N -1 0 315.394 4.111 50 0 DIAARM O=C([O-])c1ccccc1Sc1ccc(Br)s1 ZINC000000347322 563589577 /nfs/dbraw/zinc/58/95/77/563589577.db2.gz CDZKLECRBQYYCY-UHFFFAOYSA-N -1 0 315.213 4.360 50 0 DIAARM O=C([O-])c1csc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000033507879 563592854 /nfs/dbraw/zinc/59/28/54/563592854.db2.gz FBRSUMGTAWKAPW-UHFFFAOYSA-N -1 0 312.350 4.377 50 0 DIAARM CC(=O)c1c(C)oc(C)c1CSc1ccccc1C(=O)[O-] ZINC000000330906 563629734 /nfs/dbraw/zinc/62/97/34/563629734.db2.gz ISDXDMGJXBSORX-UHFFFAOYSA-N -1 0 304.367 4.090 50 0 DIAARM Cc1cccc(C(=O)[O-])c1NC(=O)Cc1cccc2ccccc21 ZINC000001060569 563632898 /nfs/dbraw/zinc/63/28/98/563632898.db2.gz KEWLYTSPXPGLLP-UHFFFAOYSA-N -1 0 319.360 4.028 50 0 DIAARM CCCCOc1ccc2cc(C(=O)CCC(=O)[O-])ccc2c1 ZINC000019909823 563695839 /nfs/dbraw/zinc/69/58/39/563695839.db2.gz FQYLOMLWDNRDJD-UHFFFAOYSA-N -1 0 300.354 4.066 50 0 DIAARM O=c1c2sccc2[n-]c(=S)n1CCc1ccc(Cl)cc1 ZINC000048765289 563812113 /nfs/dbraw/zinc/81/21/13/563812113.db2.gz JAVSQMASOUNDHZ-UHFFFAOYSA-N -1 0 322.842 4.017 50 0 DIAARM C[Si](C)(C)[C@H]1[C@H](C(=O)[O-])C1(c1ccccc1)c1ccccc1 ZINC000169828938 563849558 /nfs/dbraw/zinc/84/95/58/563849558.db2.gz WQBLOXHZIPKHPI-SJORKVTESA-N -1 0 310.469 4.396 50 0 DIAARM CCOc1ccc(/C(=C\C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000096299375 563868779 /nfs/dbraw/zinc/86/87/79/563868779.db2.gz PQOCUFKLYQOQIJ-WJDWOHSUSA-N -1 0 302.757 4.255 50 0 DIAARM CN(Cc1cccc(-c2nc(C(=O)[O-])cs2)c1)c1ccccc1 ZINC000031945287 563887302 /nfs/dbraw/zinc/88/73/02/563887302.db2.gz NMQYSQLSAYDUAX-UHFFFAOYSA-N -1 0 324.405 4.145 50 0 DIAARM O=C([O-])c1ccc2c(ccn2Cc2c(F)cccc2Cl)c1 ZINC000111288092 563927313 /nfs/dbraw/zinc/92/73/13/563927313.db2.gz RPOZKZMKURYAME-UHFFFAOYSA-N -1 0 303.720 4.180 50 0 DIAARM CCN(CC)c1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1 ZINC000031906805 563944952 /nfs/dbraw/zinc/94/49/52/563944952.db2.gz CZDYVMPNWLROKK-UHFFFAOYSA-N -1 0 318.804 4.144 50 0 DIAARM O=C([O-])CSc1cc(-c2ccccc2)nc2ccc(F)cc21 ZINC000071279196 563957950 /nfs/dbraw/zinc/95/79/50/563957950.db2.gz UMKIKDBAOSXMBD-UHFFFAOYSA-N -1 0 313.353 4.218 50 0 DIAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1F ZINC000025761787 568412806 /nfs/dbraw/zinc/41/28/06/568412806.db2.gz URXINSSHTBTKET-UHFFFAOYSA-N -1 0 316.719 4.030 50 0 DIAARM CC(=O)c1ccc(Sc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000000347439 568421559 /nfs/dbraw/zinc/42/15/59/568421559.db2.gz FJKPKRPWYGRVLB-UHFFFAOYSA-N -1 0 306.770 4.392 50 0 DIAARM Cc1cc([O-])c(C(=O)c2ccccc2)c(C)c1Br ZINC000235894148 1040721624 /nfs/dbraw/zinc/72/16/24/1040721624.db2.gz DTIWGVBSWCLWBC-UHFFFAOYSA-N -1 0 305.171 4.003 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C\c1ccc(O)cc1)CC2 ZINC000089866553 1046321106 /nfs/dbraw/zinc/32/11/06/1046321106.db2.gz RLRNPHISVAQKAJ-QBFSEMIESA-N -1 0 317.344 4.125 50 0 DIAARM O=C([O-])c1ccc(N=NC=C(Cl)Cc2ccccc2)cc1 ZINC000254758798 1047240319 /nfs/dbraw/zinc/24/03/19/1047240319.db2.gz HMKBRWINRLTVHQ-LWRXOGDWSA-N -1 0 300.745 4.062 50 0 DIAARM O=C([O-])c1cc(/C=C\c2c(F)cccc2F)nc2ccccc21 ZINC000033530750 1047579739 /nfs/dbraw/zinc/57/97/39/1047579739.db2.gz DCMRLSLLQAFQSN-HJWRWDBZSA-N -1 0 311.287 4.382 50 0 DIAARM CC[Si](CC)(CC)CC[P@](=O)([O-])[C@@H](O)c1ccccc1 ZINC000195816192 1053046594 /nfs/dbraw/zinc/04/65/94/1053046594.db2.gz AYTZFYHOHRCMHL-OAHLLOKOSA-N -1 0 314.438 4.456 50 0 DIAARM O=C([O-])c1nc(/C=C/c2cccc(O)c2)sc1-c1ccccc1 ZINC000095468060 185371999 /nfs/dbraw/zinc/37/19/99/185371999.db2.gz FIKQVVKPIXFLTG-MDZDMXLPSA-N -1 0 323.373 4.384 50 0 DIAARM Cc1ccc(Nc2ccccc2C(=O)[O-])c(Br)c1 ZINC000071767096 191029564 /nfs/dbraw/zinc/02/95/64/191029564.db2.gz YMMRKCCJZNKNHR-UHFFFAOYSA-N -1 0 306.159 4.199 50 0 DIAARM CCCc1c(C)nc2c(C)cccc2c1SCCC(=O)[O-] ZINC000000032798 180672513 /nfs/dbraw/zinc/67/25/13/180672513.db2.gz IPRSCILIVZMHJS-UHFFFAOYSA-N -1 0 303.427 4.371 50 0 DIAARM O=C([O-])c1ccccc1CSc1ccc(C(F)(F)F)cn1 ZINC000000069914 180683604 /nfs/dbraw/zinc/68/36/04/180683604.db2.gz PLQKQLSZPHOUBM-UHFFFAOYSA-N -1 0 313.300 4.091 50 0 DIAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(C)cc1 ZINC000000259941 180740653 /nfs/dbraw/zinc/74/06/53/180740653.db2.gz ZWPZWMHTQYUQAB-UHFFFAOYSA-N -1 0 315.394 4.193 50 0 DIAARM O=C([O-])c1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000001752687 180894147 /nfs/dbraw/zinc/89/41/47/180894147.db2.gz JMNVJRNQPFAFEP-UHFFFAOYSA-N -1 0 324.258 4.048 50 0 DIAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)CCC3 ZINC000002586364 180937724 /nfs/dbraw/zinc/93/77/24/180937724.db2.gz CMNFIEKHTNWCFD-UHFFFAOYSA-N -1 0 306.456 4.114 50 0 DIAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000003327028 181006294 /nfs/dbraw/zinc/00/62/94/181006294.db2.gz VOCNCIAHKYLHAL-UHFFFAOYSA-N -1 0 322.238 4.164 50 0 DIAARM Cc1cccc(-c2nn(-c3ccccc3Cl)cc2C(=O)[O-])c1 ZINC000003395024 181014703 /nfs/dbraw/zinc/01/47/03/181014703.db2.gz RPVPRXSRLYNONQ-UHFFFAOYSA-N -1 0 312.756 4.199 50 0 DIAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])cc1C ZINC000003445794 181020665 /nfs/dbraw/zinc/02/06/65/181020665.db2.gz PKHDGRDMQXGBQK-ZHACJKMWSA-N -1 0 318.376 4.254 50 0 DIAARM COc1ccccc1[C@H](CC(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000004040073 181065813 /nfs/dbraw/zinc/06/58/13/181065813.db2.gz BFKNLMVGEGIXLT-QGZVFWFLSA-N -1 0 314.381 4.089 50 0 biogenic DIAARM CC(C)c1ccc([C@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1 ZINC000004089508 181071804 /nfs/dbraw/zinc/07/18/04/181071804.db2.gz QLDYPMONFFZHEJ-KRWDZBQOSA-N -1 0 317.429 4.022 50 0 DIAARM O=C([O-])c1sccc1NC(=O)c1c(Cl)cccc1Cl ZINC000004105319 181074298 /nfs/dbraw/zinc/07/42/98/181074298.db2.gz SKARHTBXRZNOFQ-UHFFFAOYSA-N -1 0 316.165 4.005 50 0 DIAARM C[P@](=O)([O-])[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000004119565 181075959 /nfs/dbraw/zinc/07/59/59/181075959.db2.gz YJNSIIVVTCZRLR-QMMMGPOBSA-N -1 0 306.142 4.209 50 0 DIAARM Cc1ccc(Cn2cc(/C=C/C(=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000004205602 181085665 /nfs/dbraw/zinc/08/56/65/181085665.db2.gz FFHXTJJVOADTNT-VAWYXSNFSA-N -1 0 318.376 4.005 50 0 DIAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000004651533 181132149 /nfs/dbraw/zinc/13/21/49/181132149.db2.gz CUMYYBACRQOPSC-SJORKVTESA-N -1 0 315.413 4.196 50 0 DIAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000005601790 181262251 /nfs/dbraw/zinc/26/22/51/181262251.db2.gz UFWQMIYTFJVLOX-GFCCVEGCSA-N -1 0 307.390 4.140 50 0 DIAARM O=C([O-])c1ccccc1-c1ccccc1C(=O)NC1CCCCC1 ZINC000005772194 181282306 /nfs/dbraw/zinc/28/23/06/181282306.db2.gz JZNVFRXZZFDDIA-UHFFFAOYSA-N -1 0 323.392 4.114 50 0 DIAARM [O-]c1c2ccsc2c(Br)cc1Br ZINC000005778289 181282961 /nfs/dbraw/zinc/28/29/61/181282961.db2.gz YZLFGMPTTPPBSR-UHFFFAOYSA-N -1 0 307.994 4.132 50 0 DIAARM O=C([O-])c1nc(Cl)c(Cl)c(N2CCCCCC2)c1Cl ZINC000005786815 181284355 /nfs/dbraw/zinc/28/43/55/181284355.db2.gz YZFLYSKWHHLFNG-UHFFFAOYSA-N -1 0 323.607 4.120 50 0 DIAARM [O-]C(c1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000006091833 181312150 /nfs/dbraw/zinc/31/21/50/181312150.db2.gz JCCWOKZXPBZZBV-UHFFFAOYSA-N -1 0 313.024 4.306 50 0 DIAARM CC(C)Cn1c(=O)c2cc(-c3ccccc3)sc2[n-]c1=S ZINC000006459381 181342797 /nfs/dbraw/zinc/34/27/97/181342797.db2.gz VPRJYKLDROIXQI-UHFFFAOYSA-N -1 0 316.451 4.444 50 0 DIAARM O=C([O-])CCCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000006751208 181383348 /nfs/dbraw/zinc/38/33/48/181383348.db2.gz LFPJZAHFVVKECK-UHFFFAOYSA-N -1 0 311.356 4.236 50 0 DIAARM O=C([O-])c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 ZINC000091695621 193093095 /nfs/dbraw/zinc/09/30/95/193093095.db2.gz YOMQTZPAPAEBLI-UHFFFAOYSA-N -1 0 301.651 4.119 50 0 DIAARM CCc1cccc(CC)c1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008987297 181595015 /nfs/dbraw/zinc/59/50/15/181595015.db2.gz ZGBSJHLRMNOAMS-UHFFFAOYSA-N -1 0 317.429 4.175 50 0 DIAARM COc1ccc(C(=O)[O-])cc1NC/C=C/c1ccc(Cl)cc1 ZINC000009423001 181620429 /nfs/dbraw/zinc/62/04/29/181620429.db2.gz BGYPAGUUJSQQSF-NSCUHMNNSA-N -1 0 317.772 4.172 50 0 DIAARM O=C([O-])c1ccc(NNc2ccnc3cc(Cl)ccc32)cc1 ZINC000020032072 182182048 /nfs/dbraw/zinc/18/20/48/182182048.db2.gz FDICMJFCEKRBRK-UHFFFAOYSA-N -1 0 313.744 4.025 50 0 DIAARM CC(C)(C)c1ccc(O)c(NC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000021006554 182259415 /nfs/dbraw/zinc/25/94/15/182259415.db2.gz OXGXPPWEIHWCBW-UHFFFAOYSA-N -1 0 319.788 4.301 50 0 DIAARM Cc1c(C(=O)[O-])sc2ncnc(NCCC3=CCCCC3)c12 ZINC000021715850 182284625 /nfs/dbraw/zinc/28/46/25/182284625.db2.gz KGNSDZWMEIICCD-UHFFFAOYSA-N -1 0 317.414 4.000 50 0 DIAARM Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)C(=O)[O-])O2 ZINC000021983149 182301515 /nfs/dbraw/zinc/30/15/15/182301515.db2.gz QWPNLVBAEZJBMI-NSPYISDASA-N -1 0 320.429 4.292 50 0 endogenous,in-man DIAARM Cc1ccc2c(c1)[C@@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000035360514 182772087 /nfs/dbraw/zinc/77/20/87/182772087.db2.gz JCHUHWDWNBNPHH-ZYSHUDEJSA-N -1 0 323.392 4.328 50 0 DIAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1cccc(C(F)(F)F)c1 ZINC000043879417 183388545 /nfs/dbraw/zinc/38/85/45/183388545.db2.gz ZPIWCRNJAWHXTF-GXFFZTMASA-N -1 0 314.303 4.169 50 0 DIAARM Cc1nc2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2s1 ZINC000060625355 184153388 /nfs/dbraw/zinc/15/33/88/184153388.db2.gz ASVBRWCBRSDMHL-UHFFFAOYSA-N -1 0 318.785 4.216 50 0 DIAARM O=C([O-])c1ccc(-c2ccc(OCc3ccccc3)cc2)cn1 ZINC000065349155 184326387 /nfs/dbraw/zinc/32/63/87/184326387.db2.gz DUDIMPDURYAYJG-UHFFFAOYSA-N -1 0 305.333 4.026 50 0 DIAARM O=CNc1cc(-c2ccccc2C(=O)[O-])ccc1-c1ccccc1 ZINC000066323448 184402754 /nfs/dbraw/zinc/40/27/54/184402754.db2.gz MVGOWEZFEKWWDR-UHFFFAOYSA-N -1 0 317.344 4.287 50 0 DIAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000003683815 257267544 /nfs/dbraw/zinc/26/75/44/257267544.db2.gz SLUINPGXGFUMLL-UHFFFAOYSA-N -1 0 317.344 4.304 50 0 in-vitro DIAARM CC(C)(C)N(CCCCCC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000071788747 184841697 /nfs/dbraw/zinc/84/16/97/184841697.db2.gz QVWRWQNEYSTRDP-UHFFFAOYSA-N -1 0 309.381 4.347 50 0 DIAARM O=c1[nH]c2cc(Cl)c(Cl)cc2c([O-])c1-c1ccccc1 ZINC000000087771 563215279 /nfs/dbraw/zinc/21/52/79/563215279.db2.gz PXBMGCGBUZNOQN-UHFFFAOYSA-N -1 0 306.148 4.208 50 0 DIAARM O=C([O-])c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000000068323 563212712 /nfs/dbraw/zinc/21/27/12/563212712.db2.gz XAZGUJUGDDLSEK-UHFFFAOYSA-N -1 0 301.392 4.287 50 0 DIAARM FC(F)(F)c1cccc(CSc2n[n-]c(=S)s2)c1 ZINC000000128845 563221593 /nfs/dbraw/zinc/22/15/93/563221593.db2.gz GYRMUGAZBJIPHZ-UHFFFAOYSA-N -1 0 308.375 4.138 50 0 DIAARM O=C([O-])c1c2c(sc1NC(=O)c1cccs1)CCCCC2 ZINC000000130336 563221600 /nfs/dbraw/zinc/22/16/00/563221600.db2.gz NHXIDGJIXAXEPL-UHFFFAOYSA-N -1 0 321.423 4.029 50 0 DIAARM O=C([O-])c1ccc(Nc2nc(-c3cccs3)cs2)cc1 ZINC000000246719 563233563 /nfs/dbraw/zinc/23/35/63/563233563.db2.gz LRQVLTOZSAUKQG-UHFFFAOYSA-N -1 0 302.380 4.313 50 0 DIAARM O=C([O-])/C(=C\c1ccccc1Br)c1ccccc1 ZINC000000478150 563262288 /nfs/dbraw/zinc/26/22/88/563262288.db2.gz AECKGOZZLFYZDE-RAXLEYEMSA-N -1 0 303.155 4.074 50 0 DIAARM Cc1ccc(Nc2cccc3cccc(S(=O)(=O)[O-])c32)cc1 ZINC000001712810 563293024 /nfs/dbraw/zinc/29/30/24/563293024.db2.gz FDXOYIGOUGEQBC-UHFFFAOYSA-N -1 0 313.378 4.139 50 0 DIAARM Cc1[nH]n([C@H](C)C2CC2)c2nc(-c3ccc([O-])c(Cl)c3)nc1-2 ZINC000020452129 563416589 /nfs/dbraw/zinc/41/65/89/563416589.db2.gz ATMIHQVLOYRGSM-SECBINFHSA-N -1 0 316.792 4.065 50 0 DIAARM CSc1nc(=O)c2scc(-c3ccc(Cl)cc3)c2[n-]1 ZINC000096511594 563537222 /nfs/dbraw/zinc/53/72/22/563537222.db2.gz CZRMOTRJRODHKQ-UHFFFAOYSA-N -1 0 308.815 4.439 50 0 DIAARM Cc1ccccc1-n1c(Cc2c[nH]c3ccccc23)n[n-]c1=S ZINC000033808204 563597448 /nfs/dbraw/zinc/59/74/48/563597448.db2.gz FPVPHGICTUFUBK-UHFFFAOYSA-N -1 0 320.421 4.310 50 0 DIAARM Cc1[n-]n2c(nc(C(C)(C)C)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100756812 563600416 /nfs/dbraw/zinc/60/04/16/563600416.db2.gz UOSIYAURDMLIGM-UHFFFAOYSA-N -1 0 315.804 4.361 50 0 DIAARM O=C([O-])c1ccccc1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000000069365 563628053 /nfs/dbraw/zinc/62/80/53/563628053.db2.gz ZVVBUIBKBHVHHL-UHFFFAOYSA-N -1 0 324.258 4.048 50 0 DIAARM O=C([O-])CC/C(=C\c1cccnc1)c1nc2ccccc2s1 ZINC000007587357 563716858 /nfs/dbraw/zinc/71/68/58/563716858.db2.gz NEXZKOYNJBACDH-JLHYYAGUSA-N -1 0 310.378 4.097 50 0 DIAARM O=C([O-])/C(=C/c1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000211005057 563784871 /nfs/dbraw/zinc/78/48/71/563784871.db2.gz ORIOJGAHYFOPAV-LDADJPATSA-N -1 0 319.316 4.373 50 0 DIAARM C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc2ccccc21 ZINC000000395553 563846198 /nfs/dbraw/zinc/84/61/98/563846198.db2.gz ZEKKAEAOTSMLNW-ZDUSSCGKSA-N -1 0 319.360 4.029 50 0 DIAARM Cc1ccc(S(=O)(=O)Nc2c(C)c(C)c(C)c(C)c2C)cc1 ZINC000045068982 563847898 /nfs/dbraw/zinc/84/78/98/563847898.db2.gz JWBUOTSOIIUXPP-UHFFFAOYSA-N -1 0 317.454 4.338 50 0 DIAARM CCCc1cc(=O)n2[n-]c(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000000146707 563865643 /nfs/dbraw/zinc/86/56/43/563865643.db2.gz GMQJOVSMEUHFNV-UHFFFAOYSA-N -1 0 321.302 4.073 50 0 DIAARM O=c1oc2cc([O-])ccc2cc1-c1ccc(Cl)cc1Cl ZINC000000058000 563912809 /nfs/dbraw/zinc/91/28/09/563912809.db2.gz BWLCJPSUKHSVKP-UHFFFAOYSA-N -1 0 307.132 4.472 50 0 biogenic,in-vitro DIAARM Cc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[n-]2)c1 ZINC000100311503 563914136 /nfs/dbraw/zinc/91/41/36/563914136.db2.gz NOTLTESZMFZPEP-UHFFFAOYSA-N -1 0 301.349 4.077 50 0 DIAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000002657948 563940277 /nfs/dbraw/zinc/94/02/77/563940277.db2.gz PAJXHFZHKRZUDH-UHFFFAOYSA-N -1 0 319.426 4.010 50 0 DIAARM Cc1c([O-])ccc2c(=O)c(-c3ccc4ccccc4n3)coc12 ZINC000003171828 563942568 /nfs/dbraw/zinc/94/25/68/563942568.db2.gz RJYWXVBVNIQMQX-UHFFFAOYSA-N -1 0 303.317 4.022 50 0 DIAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3)n2)cc1 ZINC000025761573 568412841 /nfs/dbraw/zinc/41/28/41/568412841.db2.gz XVBPCSNPDLURHU-UHFFFAOYSA-N -1 0 320.392 4.436 50 0 DIAARM CN1c2ccccc2C(C)(C)/C1=C\C=Nc1ccc(C(=O)[O-])cc1 ZINC000254834482 1036640222 /nfs/dbraw/zinc/64/02/22/1036640222.db2.gz KGGNWESWHZLPMI-DCADJGDDSA-N -1 0 320.392 4.399 50 0 DIAARM CCCCCCOC(=O)N=c1[n-]nc(Cc2ccccc2)s1 ZINC000002493493 1037570697 /nfs/dbraw/zinc/57/06/97/1037570697.db2.gz YVOSSCCJKYTBKU-UHFFFAOYSA-N -1 0 319.430 4.258 50 0 DIAARM O=C(c1c([O-])c(Cl)cc(Br)c1Cl)C1CC1 ZINC000232318537 1038922363 /nfs/dbraw/zinc/92/23/63/1038922363.db2.gz HZCSIEOGPNMQCV-UHFFFAOYSA-N -1 0 309.974 4.054 50 0 DIAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccc(F)cc1 ZINC000102705968 1044347631 /nfs/dbraw/zinc/34/76/31/1044347631.db2.gz MUPCVEDGYHSVTP-UHFFFAOYSA-N -1 0 319.339 4.216 50 0 DIAARM O=C([O-])c1nc(/C=C\c2cccc(O)c2)sc1-c1ccccc1 ZINC000222211965 1044763232 /nfs/dbraw/zinc/76/32/32/1044763232.db2.gz FIKQVVKPIXFLTG-KTKRTIGZSA-N -1 0 323.373 4.384 50 0 DIAARM O=C([O-])c1cc(/C=C\c2ccc(F)cc2)nc2cc(F)ccc21 ZINC000216450366 1045325131 /nfs/dbraw/zinc/32/51/31/1045325131.db2.gz LVXZSUDJCUXGLQ-CLTKARDFSA-N -1 0 311.287 4.382 50 0 DIAARM O=C([O-])c1c2c(nc3ccccc31)/C(=C/c1cccc(O)c1)CC2 ZINC000007748765 1045652611 /nfs/dbraw/zinc/65/26/11/1045652611.db2.gz CHOAZCGGZSQAOZ-JLHYYAGUSA-N -1 0 317.344 4.125 50 0 DIAARM O=c1nc(-c2ccccn2)[n-]c2cc(-c3ccccc3)sc21 ZINC000053846424 1046405895 /nfs/dbraw/zinc/40/58/95/1046405895.db2.gz QXKSVLOBCFMUJI-UHFFFAOYSA-N -1 0 305.362 4.126 50 0 DIAARM O=C([O-])c1cc(NN=Cc2cccc(Cl)c2)ccc1Cl ZINC000254313337 1047188068 /nfs/dbraw/zinc/18/80/68/1047188068.db2.gz SJCQZPSAOOMJMO-UHFFFAOYSA-N -1 0 309.152 4.138 50 0 DIAARM O=C([O-])/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000033293341 1052721907 /nfs/dbraw/zinc/72/19/07/1052721907.db2.gz HMIZBFXFFBXNEB-FLIBITNWSA-N -1 0 324.767 4.291 50 0 DIAARM