smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000002154393 204027111 /nfs/dbraw/zinc/02/71/11/204027111.db2.gz QTYXJIHBTOAREV-UHFFFAOYSA-N -1 0 366.373 3.033 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1 ZINC000002891653 204066608 /nfs/dbraw/zinc/06/66/08/204066608.db2.gz LYYMMLNTEGASMV-UHFFFAOYSA-N -1 0 361.697 3.098 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000002672399 204050583 /nfs/dbraw/zinc/05/05/83/204050583.db2.gz YWUOYVAXETUXMD-NTUHNPAUSA-N -1 0 363.391 3.372 50 10 FGCARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000004124201 204123255 /nfs/dbraw/zinc/12/32/55/204123255.db2.gz FOCPDNCUJACZMK-JTQLQIEISA-N -1 0 367.467 3.489 50 10 FGCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000004470575 204139683 /nfs/dbraw/zinc/13/96/83/204139683.db2.gz MTJXWEOXWGCSSW-WJDWOHSUSA-N -1 0 371.234 3.473 50 10 FGCARM COc1cccc(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000004460085 204140141 /nfs/dbraw/zinc/14/01/41/204140141.db2.gz MKHHXEBLYKQVOL-RNEAAXAUSA-N -1 0 354.387 3.087 50 10 FGCARM Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1 ZINC000004481931 204141498 /nfs/dbraw/zinc/14/14/98/204141498.db2.gz MNNBSSSKRURFJR-UHFFFAOYSA-N -1 0 355.306 3.061 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)SC1=S ZINC000003238190 206159722 /nfs/dbraw/zinc/15/97/22/206159722.db2.gz LSUPDRCDBNTUIM-FLIBITNWSA-N -1 0 373.402 3.354 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1Cl ZINC000001161632 132380473 /nfs/dbraw/zinc/38/04/73/132380473.db2.gz JGTMHRCMSRKDJE-FMDPHQNASA-N -1 0 356.765 3.464 50 10 FGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1 ZINC000001764027 132382477 /nfs/dbraw/zinc/38/24/77/132382477.db2.gz UMWKECNWLQGLGP-XYOKQWHBSA-N -1 0 373.346 3.172 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000001104698 493785237 /nfs/dbraw/zinc/78/52/37/493785237.db2.gz WHWMSLCESSXLAU-JXMROGBWSA-N -1 0 365.172 3.345 50 10 FGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1 ZINC000004704469 493888638 /nfs/dbraw/zinc/88/86/38/493888638.db2.gz HNINHEABYGLJHI-GZTJUZNOSA-N -1 0 350.374 3.182 50 10 FGCARM Cc1ccccc1N1C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)[N-]C1=S ZINC000006813451 493981689 /nfs/dbraw/zinc/98/16/89/493981689.db2.gz FXAHKRNIGGOJSW-BENRWUELSA-N -1 0 362.414 3.114 50 10 FGCARM Cc1cccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)[N-]C2=S)c1 ZINC000006813389 493981833 /nfs/dbraw/zinc/98/18/33/493981833.db2.gz HGMMRIJTCNMYPC-RAXLEYEMSA-N -1 0 362.414 3.114 50 10 FGCARM Cc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c2ccccc12 ZINC000011635119 494184035 /nfs/dbraw/zinc/18/40/35/494184035.db2.gz YCOMZYIMXAZZQD-UHFFFAOYSA-N -1 0 357.387 3.353 50 10 FGCARM CSc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000013547890 494289084 /nfs/dbraw/zinc/28/90/84/494289084.db2.gz OXESIEJNENZMQV-XFXZXTDPSA-N -1 0 353.490 3.475 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000013766316 494295186 /nfs/dbraw/zinc/29/51/86/494295186.db2.gz HASKGQOXFQNTOL-UVTDQMKNSA-N -1 0 371.190 3.116 50 10 FGCARM Cc1cc(C)cc(N2C(=O)/C(=C\C=C\c3ccco3)C(=O)[N-]C2=S)c1 ZINC000015013147 494333763 /nfs/dbraw/zinc/33/37/63/494333763.db2.gz UPOKWSHLLYMEKT-JLJGJNDSSA-N -1 0 352.415 3.284 50 10 FGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1O ZINC000095115680 494960380 /nfs/dbraw/zinc/96/03/80/494960380.db2.gz LCFSGPWTOATKSF-CPNJWEJPSA-N -1 0 365.389 3.044 50 10 FGCARM COc1ccc2cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)ccc2c1 ZINC000096663507 495013838 /nfs/dbraw/zinc/01/38/38/495013838.db2.gz CAPHKGWOFMJODY-VGOFMYFVSA-N -1 0 359.428 3.134 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(Br)cc3)C2=O)cc1 ZINC000001228184 203995220 /nfs/dbraw/zinc/99/52/20/203995220.db2.gz NLIRNWUZRHAAJR-XNTDXEJSSA-N -1 0 357.207 3.219 50 10 FGCARM CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2CN1CCOCC1 ZINC000079481832 205638071 /nfs/dbraw/zinc/63/80/71/205638071.db2.gz ZYFZGGITYJDVGP-UHFFFAOYSA-N -1 0 351.830 3.327 50 10 FGCARM CC(C)c1nc(/C=C/c2ccc(N3CCOCC3)cc2)ncc1C(=O)[O-] ZINC000170635751 132265107 /nfs/dbraw/zinc/26/51/07/132265107.db2.gz BWESKGZLCIFCLI-VMPITWQZSA-N -1 0 353.422 3.305 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000001194094 132381052 /nfs/dbraw/zinc/38/10/52/132381052.db2.gz FCDNMXZPTXNPNR-MDWZMJQESA-N -1 0 356.765 3.020 50 10 FGCARM Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000001208432 132381123 /nfs/dbraw/zinc/38/11/23/132381123.db2.gz RPMZFZCMTZXHFQ-MHWRWJLKSA-N -1 0 361.426 3.308 50 10 FGCARM Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000002915395 132384319 /nfs/dbraw/zinc/38/43/19/132384319.db2.gz MJWKICVEQKZVSL-OQLLNIDSSA-N -1 0 356.834 3.480 50 10 FGCARM CCOc1ccc(N=Nc2c(=O)[n-]n3c2[nH]c2c(c3=O)CCCC2)cc1 ZINC000103674823 222341253 /nfs/dbraw/zinc/34/12/53/222341253.db2.gz TUVGGOUTPMPAFJ-QZQOTICOSA-N -1 0 353.382 3.009 50 10 FGCARM O=C([O-])CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000000966827 493780030 /nfs/dbraw/zinc/78/00/30/493780030.db2.gz LNSRBGSDKMPINU-YFHOEESVSA-N -1 0 372.265 3.125 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)c1 ZINC000004853850 493896525 /nfs/dbraw/zinc/89/65/25/493896525.db2.gz ALKZYWZUYXVGDP-GZTJUZNOSA-N -1 0 359.385 3.451 50 10 FGCARM CCOc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(=O)[N-]C2=S)c1 ZINC000005654383 493937891 /nfs/dbraw/zinc/93/78/91/493937891.db2.gz XIUPXIHVQITCMZ-YBEGLDIGSA-N -1 0 370.405 3.056 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000006786724 493979632 /nfs/dbraw/zinc/97/96/32/493979632.db2.gz ZXDQRVIFTMJPTM-RAXLEYEMSA-N -1 0 362.345 3.078 50 10 FGCARM CC1=CC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=N)N2O1 ZINC000032968138 494033404 /nfs/dbraw/zinc/03/34/04/494033404.db2.gz MKSBXNJRVKVRIG-FMVWKBIMSA-N -1 0 363.329 3.095 50 10 FGCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000009331995 494121203 /nfs/dbraw/zinc/12/12/03/494121203.db2.gz HJOPHTNMKGCBKQ-GZTJUZNOSA-N -1 0 359.385 3.451 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015010449 494332804 /nfs/dbraw/zinc/33/28/04/494332804.db2.gz FNVRYKWVDAESJJ-GDNBJRDFSA-N -1 0 372.833 3.180 50 10 FGCARM Cc1ccc(N2C(=O)C(=Cc3ccccc3O)C(=O)[N-]C2=S)c(O)c1 ZINC000075260776 494713780 /nfs/dbraw/zinc/71/37/80/494713780.db2.gz NQBGCTUKNJVEAL-FMIVXFBMSA-N -1 0 354.387 3.078 50 10 FGCARM C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)o1 ZINC000096920948 495015574 /nfs/dbraw/zinc/01/55/74/495015574.db2.gz WBCGSUQVUUULPM-QMNRKCHLSA-N -1 0 351.449 3.469 50 10 FGCARM CC(C)c1nc(/C=C\c2ccc(N3CCOCC3)cc2)ncc1C(=O)[O-] ZINC000255887435 497377432 /nfs/dbraw/zinc/37/74/32/497377432.db2.gz BWESKGZLCIFCLI-YVMONPNESA-N -1 0 353.422 3.305 50 10 FGCARM CCCC[C@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000001891581 204022244 /nfs/dbraw/zinc/02/22/44/204022244.db2.gz KKAFURCHZPIDAB-INIZCTEOSA-N -1 0 359.422 3.110 50 10 FGCARM Cc1cc(I)cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@H]21 ZINC000004817416 204165475 /nfs/dbraw/zinc/16/54/75/204165475.db2.gz QTTDZDKFEMOZEY-KWBADKCTSA-N -1 0 355.175 3.138 50 10 FGCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N3CCCCC3)cc2)n1 ZINC000004548562 204145173 /nfs/dbraw/zinc/14/51/73/204145173.db2.gz GGEILFCVSZLZEN-LSDHQDQOSA-N -1 0 374.470 3.379 50 10 FGCARM Cc1ccc(O)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)/C=C\C(=O)[O-])c1 ZINC000080316266 205640283 /nfs/dbraw/zinc/64/02/83/205640283.db2.gz DBBUMYODQZYLBG-XZVRFQMRSA-N -1 0 368.364 3.158 50 10 FGCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000101343507 205957250 /nfs/dbraw/zinc/95/72/50/205957250.db2.gz PPEKDYIIMWJSGI-QINHECLXSA-N -1 0 366.392 3.467 50 10 FGCARM CC(C)[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000000942421 206142611 /nfs/dbraw/zinc/14/26/11/206142611.db2.gz YOCIUTZYUSFEOO-IBGZPJMESA-N -1 0 367.401 3.364 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@@H](C)CC ZINC000002137303 206153160 /nfs/dbraw/zinc/15/31/60/206153160.db2.gz DGCSYLIWTOPBBP-KPZWWZAWSA-N -1 0 361.438 3.430 50 10 FGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCCC2 ZINC000005021073 206239428 /nfs/dbraw/zinc/23/94/28/206239428.db2.gz UCGQTYPPDYLQHS-QWRGUYRKSA-N -1 0 365.451 3.243 50 10 FGCARM O=C1/C(=C\c2cc([N+](=O)[O-])ccc2[O-])SC(=S)N1Cc1ccco1 ZINC000013756645 206305595 /nfs/dbraw/zinc/30/55/95/206305595.db2.gz WEEITMDTXSXAGR-NTUHNPAUSA-N -1 0 362.388 3.295 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1 ZINC000002892887 132384236 /nfs/dbraw/zinc/38/42/36/132384236.db2.gz UVWIVJHTJSVASJ-WJDWOHSUSA-N -1 0 351.431 3.047 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000004703293 493887421 /nfs/dbraw/zinc/88/74/21/493887421.db2.gz CMRRMSLKAPWIIZ-LDADJPATSA-N -1 0 364.401 3.449 50 10 FGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000013898219 494298120 /nfs/dbraw/zinc/29/81/20/494298120.db2.gz YPKPNKHFHNAMLB-UNOMPAQXSA-N -1 0 373.412 3.339 50 10 FGCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c([N+](=O)[O-])c1 ZINC000100316596 495064833 /nfs/dbraw/zinc/06/48/33/495064833.db2.gz QDYSIDDPNHOQJT-PTNGSMBKSA-N -1 0 352.350 3.322 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)c(C)c1 ZINC000211025001 496976352 /nfs/dbraw/zinc/97/63/52/496976352.db2.gz FNSXHAHAXCSJFH-AWNIVKPZSA-N -1 0 370.792 3.147 50 10 FGCARM CC(C)CN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)NC1=S ZINC000002145988 204027048 /nfs/dbraw/zinc/02/70/48/204027048.db2.gz AXULSMXWMUMMQG-DHDCSXOGSA-N -1 0 370.430 3.358 50 10 FGCARM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c2nsnc2ccc1C ZINC000002906998 204066567 /nfs/dbraw/zinc/06/65/67/204066567.db2.gz LCPHBAIHKVRCTO-UHFFFAOYSA-N -1 0 364.408 3.017 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005013964 204185002 /nfs/dbraw/zinc/18/50/02/204185002.db2.gz UIHHFGAFGCMKOT-QPEQYQDCSA-N -1 0 363.391 3.372 50 10 FGCARM O=C([O-])CNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006725017 204262931 /nfs/dbraw/zinc/26/29/31/204262931.db2.gz HZJGKBVTAVMCCU-UHFFFAOYSA-N -1 0 363.373 3.136 50 10 FGCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]nc1-c1ccc(Cl)cc1 ZINC000036386283 205013978 /nfs/dbraw/zinc/01/39/78/205013978.db2.gz ZPCYPQCDZJTKES-UHFFFAOYSA-N -1 0 372.768 3.274 50 10 FGCARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O ZINC000004502754 206177764 /nfs/dbraw/zinc/17/77/64/206177764.db2.gz TZBZXYUTOGVCIX-CQSZACIVSA-N -1 0 358.419 3.386 50 10 FGCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000001195368 132380924 /nfs/dbraw/zinc/38/09/24/132380924.db2.gz SXRXSBISZPZENL-XNTDXEJSSA-N -1 0 356.834 3.480 50 10 FGCARM Cc1ccc(C)c(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1 ZINC000003005340 132384617 /nfs/dbraw/zinc/38/46/17/132384617.db2.gz VDHQQEWVBRHGMT-JLHYYAGUSA-N -1 0 369.421 3.186 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000001204949 493789070 /nfs/dbraw/zinc/78/90/70/493789070.db2.gz XOZKCCYDKSUJOK-AUWJEWJLSA-N -1 0 371.780 3.326 50 10 FGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001236429 493790306 /nfs/dbraw/zinc/79/03/06/493790306.db2.gz KTYGAQCRLRUJII-SVSAJMPUSA-N -1 0 360.460 3.478 50 10 FGCARM CCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000003300235 493837070 /nfs/dbraw/zinc/83/70/70/493837070.db2.gz PECYOSWZEPRIPP-JLHYYAGUSA-N -1 0 351.449 3.151 50 10 FGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(Cl)cc2)C1=O ZINC000005648583 493938111 /nfs/dbraw/zinc/93/81/11/493938111.db2.gz SIERGSGYXUOJRN-UVTDQMKNSA-N -1 0 355.781 3.227 50 10 FGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1 ZINC000008768710 494104764 /nfs/dbraw/zinc/10/47/64/494104764.db2.gz AWVLKCXLDZZVLI-ZROIWOOFSA-N -1 0 352.346 3.167 50 10 FGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000013774581 494296917 /nfs/dbraw/zinc/29/69/17/494296917.db2.gz AQIYQZHKPQPAKG-JYRVWZFOSA-N -1 0 364.279 3.273 50 10 FGCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1C ZINC000001126904 535963818 /nfs/dbraw/zinc/96/38/18/535963818.db2.gz MBOVJLSXWCJOCF-LFIBNONCSA-N -1 0 367.474 3.265 50 10 FGCARM CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000002832511 204060809 /nfs/dbraw/zinc/06/08/09/204060809.db2.gz IWDWDTZRERPPIR-XYOKQWHBSA-N -1 0 371.867 3.415 50 10 FGCARM Cc1ccccc1-n1[n-]c2c(ccc3c2C(=O)c2ccccc2C3=O)c1=O ZINC000003896796 204114468 /nfs/dbraw/zinc/11/44/68/204114468.db2.gz AGBPJXVKRSJPQW-UHFFFAOYSA-N -1 0 354.365 3.403 50 10 FGCARM O=C([O-])COc1cccc(C=C2SC(Nc3ccccc3)=NC2=O)c1 ZINC000006473711 204250088 /nfs/dbraw/zinc/25/00/88/204250088.db2.gz DQJDEWBLXZKSGG-GDNBJRDFSA-N -1 0 354.387 3.232 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000006096981 206201225 /nfs/dbraw/zinc/20/12/25/206201225.db2.gz PCXNIDMYQSYNFU-OYGDSYQHSA-N -1 0 371.480 3.233 50 10 FGCARM COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000103877864 206236011 /nfs/dbraw/zinc/23/60/11/206236011.db2.gz XRXDBDILUUKGAS-RVDMUPIBSA-N -1 0 352.350 3.322 50 10 FGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1C ZINC000096234388 132223288 /nfs/dbraw/zinc/22/32/88/132223288.db2.gz OCGHQROTYRTFMV-LICLKQGHSA-N -1 0 367.474 3.090 50 10 FGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c(C)c1 ZINC000100497099 132232900 /nfs/dbraw/zinc/23/29/00/132232900.db2.gz KQKTXESYNPOXEO-YBEGLDIGSA-N -1 0 367.380 3.330 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Cl)c3)C2=O)cc1 ZINC000005601341 132258321 /nfs/dbraw/zinc/25/83/21/132258321.db2.gz SSDBTQDLSVAXNJ-XNTDXEJSSA-N -1 0 355.781 3.227 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC)cc3)C2=O)cc1 ZINC000000759604 132378345 /nfs/dbraw/zinc/37/83/45/132378345.db2.gz LKOCQTXNUZBNRL-LFIBNONCSA-N -1 0 368.414 3.084 50 10 FGCARM CC[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000000942763 493779388 /nfs/dbraw/zinc/77/93/88/493779388.db2.gz NVOQDHCNIATUHH-INIZCTEOSA-N -1 0 353.374 3.118 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1 ZINC000001130233 493786097 /nfs/dbraw/zinc/78/60/97/493786097.db2.gz NPYVVRZNDJJJAN-UHFFFAOYSA-N -1 0 358.806 3.241 50 10 FGCARM O=C(Cc1ccc(Cl)cc1Cl)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000034878926 494069114 /nfs/dbraw/zinc/06/91/14/494069114.db2.gz USKCDOPEEJYECE-UHFFFAOYSA-N -1 0 355.177 3.466 50 10 FGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000008837523 494106322 /nfs/dbraw/zinc/10/63/22/494106322.db2.gz MKCZKJRFDCYZPU-UVTDQMKNSA-N -1 0 361.357 3.047 50 10 FGCARM Cc1cccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)[N-]C2=S)c1 ZINC000017145803 494409466 /nfs/dbraw/zinc/40/94/66/494409466.db2.gz UWRHXMWUQJIUCZ-XYOKQWHBSA-N -1 0 357.347 3.168 50 10 FGCARM CCCCCC[C@@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000002416037 535001196 /nfs/dbraw/zinc/00/11/96/535001196.db2.gz PEPPBCYERXTTFF-OPCAMPFDSA-N -1 0 361.417 3.241 50 10 FGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000008769070 536184219 /nfs/dbraw/zinc/18/42/19/536184219.db2.gz MYZNEZJSXUKWQD-UKTHLTGXSA-N -1 0 355.306 3.257 50 10 FGCARM Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(C)n1CC(C)C ZINC000007166787 204290886 /nfs/dbraw/zinc/29/08/86/204290886.db2.gz IDKVSAZSQZQDKP-MLPAPPSSSA-N -1 0 352.481 3.047 50 10 FGCARM COc1c(C)cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1C ZINC000063454102 205292940 /nfs/dbraw/zinc/29/29/40/205292940.db2.gz VKKSKCVOTJKCCX-LCYFTJDESA-N -1 0 365.476 3.378 50 10 FGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNCCC1=CCCCC1 ZINC000100401308 206223246 /nfs/dbraw/zinc/22/32/46/206223246.db2.gz OEVDSIXCYRWPIE-SDXDJHTJSA-N -1 0 371.481 3.319 50 10 FGCARM CCN1c2ccc(C)cc2C=C/C1=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000002066070 132382510 /nfs/dbraw/zinc/38/25/10/132382510.db2.gz LRKBNWDPQXITFA-SQFISAMPSA-N -1 0 360.460 3.005 50 10 FGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000001175994 493787948 /nfs/dbraw/zinc/78/79/48/493787948.db2.gz ZONXASPQOTUSMW-NTEUORMPSA-N -1 0 371.824 3.148 50 10 FGCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000012372343 494227778 /nfs/dbraw/zinc/22/77/78/494227778.db2.gz XJXLVDHRPXFZQZ-BOPFTXTBSA-N -1 0 359.385 3.138 50 10 FGCARM COC(=O)c1c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)sc2c1CCC2 ZINC000013249705 494282376 /nfs/dbraw/zinc/28/23/76/494282376.db2.gz RKRDSEIHTLINPJ-CYBMUJFWSA-N -1 0 373.430 3.220 50 10 FGCARM COc1cccc(-c2cc3ccc([O-])c(CN4CCOCC4)c3oc2=O)c1 ZINC000013724141 494295517 /nfs/dbraw/zinc/29/55/17/494295517.db2.gz XUPPTJIDULLHJY-UHFFFAOYSA-N -1 0 367.401 3.006 50 10 FGCARM COc1cccc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000015658630 494364074 /nfs/dbraw/zinc/36/40/74/494364074.db2.gz FMHJIEZMUDPIGD-DHDCSXOGSA-N -1 0 362.307 3.175 50 10 FGCARM COc1ccc(NC(C)=O)cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000016045271 494375975 /nfs/dbraw/zinc/37/59/75/494375975.db2.gz SHDNBPXHRLWIQG-SFQUDFHCSA-N -1 0 364.405 3.372 50 10 FGCARM CCCOc1ccccc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000016213028 494381919 /nfs/dbraw/zinc/38/19/19/494381919.db2.gz XHPFIGMSNIVABK-RAXLEYEMSA-N -1 0 351.449 3.151 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000016662496 494399070 /nfs/dbraw/zinc/39/90/70/494399070.db2.gz OGGJPMROJYOUKB-GDNBJRDFSA-N -1 0 355.781 3.227 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000017029413 494405922 /nfs/dbraw/zinc/40/59/22/494405922.db2.gz WTHGEZOCRXMSJQ-WQLSENKSSA-N -1 0 360.167 3.284 50 10 FGCARM O=C([O-])[C@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O ZINC000023187619 494555615 /nfs/dbraw/zinc/55/56/15/494555615.db2.gz TWADQDKHELMUTE-CJNGLKHVSA-N -1 0 365.838 3.452 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000027501192 494869998 /nfs/dbraw/zinc/86/99/98/494869998.db2.gz IVKGIFKEHNLJNF-ZSOIEALJSA-N -1 0 372.808 3.127 50 10 FGCARM CCCC(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470705 204040814 /nfs/dbraw/zinc/04/08/14/204040814.db2.gz LJHWCRCDVDMSTC-INIZCTEOSA-N -1 0 355.350 3.447 50 10 FGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2O)SC1=S ZINC000001908292 204022448 /nfs/dbraw/zinc/02/24/48/204022448.db2.gz QRBSZNBHIQXSRW-JLHYYAGUSA-N -1 0 351.449 3.238 50 10 FGCARM COc1ccc([C@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000004684851 204155127 /nfs/dbraw/zinc/15/51/27/204155127.db2.gz GISQJPACQMPEBB-KRWDZBQOSA-N -1 0 367.361 3.083 50 10 FGCARM Cc1cc(I)cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000004817418 204166261 /nfs/dbraw/zinc/16/62/61/204166261.db2.gz QTTDZDKFEMOZEY-CWSCBRNRSA-N -1 0 355.175 3.138 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC)cc3)C2=O)cc1 ZINC000004456504 204139747 /nfs/dbraw/zinc/13/97/47/204139747.db2.gz LKOCQTXNUZBNRL-WJDWOHSUSA-N -1 0 368.414 3.084 50 10 FGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 ZINC000217683300 206365117 /nfs/dbraw/zinc/36/51/17/206365117.db2.gz JXLVSBCVKUJJGM-SIFCLUCFSA-N -1 0 363.417 3.113 50 10 FGCARM Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1 ZINC000001051348 493783744 /nfs/dbraw/zinc/78/37/44/493783744.db2.gz CDAUHYBICPTJAY-UHFFFAOYSA-N -1 0 355.306 3.061 50 10 FGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000008994809 494112028 /nfs/dbraw/zinc/11/20/28/494112028.db2.gz LFEGJJIJFWDABE-KPKJPENVSA-N -1 0 358.375 3.272 50 10 FGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000019867775 494462714 /nfs/dbraw/zinc/46/27/14/494462714.db2.gz SMQMXPSEQZXSRS-BOPFTXTBSA-N -1 0 359.385 3.397 50 10 FGCARM Cn1cccc1/C=C1/SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000027229469 494857971 /nfs/dbraw/zinc/85/79/71/494857971.db2.gz PRATVMXZUPWLSX-UELRPHRMSA-N -1 0 358.444 3.052 50 10 FGCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)[nH]1 ZINC000000634717 526091176 /nfs/dbraw/zinc/09/11/76/526091176.db2.gz SMGLVRMRUNCMGK-CXUHLZMHSA-N -1 0 353.447 3.080 50 10 FGCARM O=C([N-]N1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccs1 ZINC000001412519 204005220 /nfs/dbraw/zinc/00/52/20/204005220.db2.gz JZDIZTKTGTWYCA-XYOKQWHBSA-N -1 0 364.448 3.433 50 10 FGCARM COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000001786510 204019408 /nfs/dbraw/zinc/01/94/08/204019408.db2.gz MPDTWZMDASDWNU-LLBKUYECSA-N -1 0 351.449 3.006 50 10 FGCARM CCCOc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000002673284 204050858 /nfs/dbraw/zinc/05/08/58/204050858.db2.gz XHPFIGMSNIVABK-JLHYYAGUSA-N -1 0 351.449 3.151 50 10 FGCARM CCCN1C(=O)C(=Cc2ccc(-c3cccc(C(=O)[O-])c3)o2)NC1=S ZINC000003667737 204110633 /nfs/dbraw/zinc/11/06/33/204110633.db2.gz KXFYOCKIQJYZMF-UVTDQMKNSA-N -1 0 356.403 3.112 50 10 FGCARM CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000003864955 204111805 /nfs/dbraw/zinc/11/18/05/204111805.db2.gz ALLGVQKYHNEWOC-LJQANCHMSA-N -1 0 365.433 3.295 50 10 FGCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000004093776 204120388 /nfs/dbraw/zinc/12/03/88/204120388.db2.gz AKNPESZCSZHCQJ-CRRKTRLDSA-N -1 0 350.374 3.345 50 10 FGCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000004646585 204151317 /nfs/dbraw/zinc/15/13/17/204151317.db2.gz AZGNILTUXNTFJL-JTQLQIEISA-N -1 0 353.440 3.243 50 10 FGCARM Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1Cl ZINC000004491408 204140793 /nfs/dbraw/zinc/14/07/93/204140793.db2.gz FWGRJUUHKRFNDH-UHFFFAOYSA-N -1 0 351.145 3.074 50 10 FGCARM Cc1cc(I)cc2c1N[C@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000005583721 204217108 /nfs/dbraw/zinc/21/71/08/204217108.db2.gz QTTDZDKFEMOZEY-NRUUGDAUSA-N -1 0 355.175 3.138 50 10 FGCARM COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])c1O ZINC000005043644 204187581 /nfs/dbraw/zinc/18/75/81/204187581.db2.gz JKSIRUDZUKZIEE-ZDUSSCGKSA-N -1 0 374.418 3.005 50 10 FGCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1Cc1ccco1 ZINC000037219709 205025244 /nfs/dbraw/zinc/02/52/44/205025244.db2.gz MJMOIXISPVWAFZ-QPEQYQDCSA-N -1 0 362.388 3.295 50 10 FGCARM O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1O ZINC000080316158 205640252 /nfs/dbraw/zinc/64/02/52/205640252.db2.gz ZIMVMQWPQMYYOS-MRXNPFEDSA-N -1 0 356.353 3.074 50 10 FGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001197725 132252325 /nfs/dbraw/zinc/25/23/25/132252325.db2.gz ORVGTRYOUVKRBF-BOAPOFAJSA-N -1 0 358.806 3.321 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccccc3)C2=O)cc1C ZINC000005069478 132256102 /nfs/dbraw/zinc/25/61/02/132256102.db2.gz VXUOAQAHVIYFSJ-LFIBNONCSA-N -1 0 350.378 3.227 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc2ccccc2[nH]1 ZINC000002119684 132382539 /nfs/dbraw/zinc/38/25/39/132382539.db2.gz KEOWOXPHGZJGME-XNTDXEJSSA-N -1 0 365.776 3.488 50 10 FGCARM O=S(=O)([N-]c1nccs1)c1ccc(NCc2ccccc2O)cc1 ZINC000000793991 493772841 /nfs/dbraw/zinc/77/28/41/493772841.db2.gz QZMVRYKARIARSL-UHFFFAOYSA-N -1 0 361.448 3.262 50 10 FGCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000001271113 493791928 /nfs/dbraw/zinc/79/19/28/493791928.db2.gz YURKUQBFLHYZLE-ZVHGMHCTSA-N -1 0 356.428 3.109 50 10 FGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])s2)C1=O ZINC000008971996 494110636 /nfs/dbraw/zinc/11/06/36/494110636.db2.gz BLJDWDQURUQETG-FLIBITNWSA-N -1 0 357.347 3.471 50 10 FGCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000009165470 494117235 /nfs/dbraw/zinc/11/72/35/494117235.db2.gz FAVDKQUYFPXSKF-MHWRWJLKSA-N -1 0 359.385 3.451 50 10 FGCARM COc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000013262457 494283779 /nfs/dbraw/zinc/28/37/79/494283779.db2.gz YKTAUBXUHMMMHG-ZSOIEALJSA-N -1 0 359.428 3.134 50 10 FGCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1C ZINC000014010842 494300222 /nfs/dbraw/zinc/30/02/22/494300222.db2.gz MAJMHIUSDPRQGG-GZTJUZNOSA-N -1 0 365.433 3.408 50 10 FGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000000753077 536981767 /nfs/dbraw/zinc/98/17/67/536981767.db2.gz XSAGYPAQRKMSBU-LFIBNONCSA-N -1 0 364.401 3.287 50 10 FGCARM Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccc2c(c1)OCO2 ZINC000101508574 209227293 /nfs/dbraw/zinc/22/72/93/209227293.db2.gz MBZAHYHAIOBKON-GHVJWSGMSA-N -1 0 374.360 3.416 50 10 FGCARM CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000005149717 207085318 /nfs/dbraw/zinc/08/53/18/207085318.db2.gz MSKYNGWPKUVWHF-QENILXLESA-N -1 0 360.460 3.243 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1 ZINC000002979904 132384581 /nfs/dbraw/zinc/38/45/81/132384581.db2.gz JMSVRUNMSPXJSZ-XMHGGMMESA-N -1 0 371.396 3.452 50 10 FGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C)cc3)C2=O)cc1 ZINC000004673182 132387084 /nfs/dbraw/zinc/38/70/84/132387084.db2.gz IRAUPSQVGGPMCQ-ATVHPVEESA-N -1 0 350.374 3.060 50 10 FGCARM Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000000810550 493773797 /nfs/dbraw/zinc/77/37/97/493773797.db2.gz WWOSUMKIIWMTPX-UHFFFAOYSA-N -1 0 356.432 3.349 50 10 FGCARM Cc1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)cc1 ZINC000002997374 493828380 /nfs/dbraw/zinc/82/83/80/493828380.db2.gz QCQXOITVFPKAFQ-UHFFFAOYSA-N -1 0 366.373 3.043 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)c1 ZINC000004704555 493888817 /nfs/dbraw/zinc/88/88/17/493888817.db2.gz YLHDBNHFGNMILQ-WOJGMQOQSA-N -1 0 364.401 3.287 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000013616201 494290508 /nfs/dbraw/zinc/29/05/08/494290508.db2.gz SMSYWNMQZNOHOQ-MHWRWJLKSA-N -1 0 370.792 3.323 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000005061823 695545603 /nfs/dbraw/zinc/54/56/03/695545603.db2.gz CKRGQCVSRAIKTA-XFFZJAGNSA-N -1 0 365.172 3.345 50 10 FGCARM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000033314199 209856980 /nfs/dbraw/zinc/85/69/80/209856980.db2.gz FLQWJLYXHSNASZ-ZSOIEALJSA-N -1 0 357.753 3.018 50 10 FGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1cccc(C)n1 ZINC000100423372 209213088 /nfs/dbraw/zinc/21/30/88/209213088.db2.gz KIVDVIDRAARRMX-RGEXLXHISA-N -1 0 364.405 3.042 50 10 FGCARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000001216237 206868223 /nfs/dbraw/zinc/86/82/23/206868223.db2.gz ZJLOQIHJAFLIGS-UHFFFAOYSA-N -1 0 356.378 3.327 50 10 FGCARM CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)C(=O)[O-] ZINC000001891583 206897840 /nfs/dbraw/zinc/89/78/40/206897840.db2.gz KKAFURCHZPIDAB-MRXNPFEDSA-N -1 0 359.422 3.110 50 10 FGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001195975 132380935 /nfs/dbraw/zinc/38/09/35/132380935.db2.gz GDFLBBSMJWDIQR-XNTDXEJSSA-N -1 0 356.834 3.480 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)s1 ZINC000005768674 132830036 /nfs/dbraw/zinc/83/00/36/132830036.db2.gz CBTFHPQKIMQSHK-XFFZJAGNSA-N -1 0 350.758 3.207 50 10 FGCARM COc1ccc2cc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)ccc2c1 ZINC000006210123 493954954 /nfs/dbraw/zinc/95/49/54/493954954.db2.gz CAPHKGWOFMJODY-AUWJEWJLSA-N -1 0 359.428 3.134 50 10 FGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2nc3ccccc3[nH]2)C1=O ZINC000006786961 493979936 /nfs/dbraw/zinc/97/99/36/493979936.db2.gz VULXYQRTZKWVNU-KHPPLWFESA-N -1 0 362.345 3.078 50 10 FGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O ZINC000013838360 494296645 /nfs/dbraw/zinc/29/66/45/494296645.db2.gz KKPKOBUNWLBBQM-AUWJEWJLSA-N -1 0 372.808 3.132 50 10 FGCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1 ZINC000020358912 494470778 /nfs/dbraw/zinc/47/07/78/494470778.db2.gz GEHIPOAVHKIQSD-UHFFFAOYSA-N -1 0 367.401 3.006 50 10 FGCARM Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000103732683 570852335 /nfs/dbraw/zinc/85/23/35/570852335.db2.gz IGZCCSASSSUXHQ-GXDHUFHOSA-N -1 0 355.781 3.227 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000005061609 695545670 /nfs/dbraw/zinc/54/56/70/695545670.db2.gz QECZPCSXINXMEZ-YFHOEESVSA-N -1 0 365.172 3.345 50 10 FGCARM CCCc1c(C)nc2c(C(=O)NCc3ccccc3Cl)c[n-]n2c1=O ZINC000006779291 207164190 /nfs/dbraw/zinc/16/41/90/207164190.db2.gz ZPAVBXMWMPJHCV-UHFFFAOYSA-N -1 0 358.829 3.279 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3)C2=O)cc1 ZINC000095108944 132206510 /nfs/dbraw/zinc/20/65/10/132206510.db2.gz OGGJPMROJYOUKB-XNTDXEJSSA-N -1 0 355.781 3.227 50 10 FGCARM COc1ccccc1N[C@H]1SC(=O)N(Cc2cccc(C(=O)[O-])c2)C1=O ZINC000001018902 493782261 /nfs/dbraw/zinc/78/22/61/493782261.db2.gz CVIBETWEMRNULU-HNNXBMFYSA-N -1 0 372.402 3.027 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000004613964 493884500 /nfs/dbraw/zinc/88/45/00/493884500.db2.gz VRJCVLURZYXJNO-MNOVXSKESA-N -1 0 365.451 3.243 50 10 FGCARM COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000004739007 493889830 /nfs/dbraw/zinc/88/98/30/493889830.db2.gz JIOXSZFFWCLMMK-GDNBJRDFSA-N -1 0 372.833 3.180 50 10 FGCARM CCCCCC[C@H](C)NC=C1C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000005865407 493944586 /nfs/dbraw/zinc/94/45/86/493944586.db2.gz PFPPIYJPJKWPHV-WIOAZZGGSA-N -1 0 361.417 3.241 50 10 FGCARM O=C([N-]N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccco1 ZINC000033340387 494058856 /nfs/dbraw/zinc/05/88/56/494058856.db2.gz HQQFAKOQLHGQBF-NDUUIVGLSA-N -1 0 356.428 3.382 50 10 FGCARM O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1O ZINC000080316155 494675307 /nfs/dbraw/zinc/67/53/07/494675307.db2.gz ZIMVMQWPQMYYOS-INIZCTEOSA-N -1 0 356.353 3.074 50 10 FGCARM CC(C)Oc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000003300230 695536846 /nfs/dbraw/zinc/53/68/46/695536846.db2.gz ZQIVMUSDEDBPKG-UKTHLTGXSA-N -1 0 351.449 3.150 50 10 FGCARM CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1 ZINC000004356832 209421317 /nfs/dbraw/zinc/42/13/17/209421317.db2.gz SNMPVKBQCAFOTE-VWLVURMCSA-N -1 0 351.449 3.150 50 10 FGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001207778 206868229 /nfs/dbraw/zinc/86/82/29/206868229.db2.gz RHSYBTCGCHMKMY-LOBLAWFCSA-N -1 0 372.265 3.123 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000005173455 207086440 /nfs/dbraw/zinc/08/64/40/207086440.db2.gz WCLLWMWXCUGTAA-ZSOIEALJSA-N -1 0 357.753 3.018 50 10 FGCARM CS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)cc1 ZINC000040477104 208254033 /nfs/dbraw/zinc/25/40/33/208254033.db2.gz BVPUNRYREZHSDQ-UHFFFAOYSA-N -1 0 356.241 3.170 50 10 FGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000001156123 209386318 /nfs/dbraw/zinc/38/63/18/209386318.db2.gz JMMZNRHHHLCSTO-WLSWZUKCSA-N -1 0 371.437 3.014 50 10 FGCARM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)[N-]C1=S ZINC000002303343 132383266 /nfs/dbraw/zinc/38/32/66/132383266.db2.gz MBZSPLNEOFNLJF-LFIBNONCSA-N -1 0 367.474 3.036 50 10 FGCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000001002976 493781279 /nfs/dbraw/zinc/78/12/79/493781279.db2.gz FPSZYKXIAYVJEA-NTEUORMPSA-N -1 0 357.412 3.496 50 10 FGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001236427 493790814 /nfs/dbraw/zinc/79/08/14/493790814.db2.gz KTYGAQCRLRUJII-LVOZBFFPSA-N -1 0 360.460 3.478 50 10 FGCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 ZINC000004193737 493868345 /nfs/dbraw/zinc/86/83/45/493868345.db2.gz PMNYDYSJMOODLG-UVTDQMKNSA-N -1 0 356.428 3.115 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2csc(C3CC3)n2)SC1=S ZINC000063454099 494056000 /nfs/dbraw/zinc/05/60/00/494056000.db2.gz GIQKKYOLWZFYQQ-POHAHGRESA-N -1 0 354.478 3.087 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000013569988 494289500 /nfs/dbraw/zinc/28/95/00/494289500.db2.gz ISNFYXYOUWULBN-WOJGMQOQSA-N -1 0 373.412 3.462 50 10 FGCARM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000015659852 494364214 /nfs/dbraw/zinc/36/42/14/494364214.db2.gz BCGMEALSKNSCJD-ZROIWOOFSA-N -1 0 359.788 3.007 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000017045061 494405980 /nfs/dbraw/zinc/40/59/80/494405980.db2.gz XTIAERWYDGPRBL-SDQBBNPISA-N -1 0 360.728 3.056 50 10 FGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000017246150 494410678 /nfs/dbraw/zinc/41/06/78/494410678.db2.gz DRBTZXPAKVUTBF-DHDCSXOGSA-N -1 0 357.797 3.044 50 10 FGCARM Cc1c([O-])c(CN2CCOCC2)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000020411950 494472145 /nfs/dbraw/zinc/47/21/45/494472145.db2.gz ZNXLLDDIEPQVKV-UHFFFAOYSA-N -1 0 351.402 3.306 50 10 FGCARM CCc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000022215804 494517508 /nfs/dbraw/zinc/51/75/08/494517508.db2.gz IMTODWJJUIJGGA-SDNWHVSQSA-N -1 0 354.406 3.219 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533588 494871199 /nfs/dbraw/zinc/87/11/99/494871199.db2.gz VODYDPBUAABDHZ-SPCOFGNNSA-N -1 0 369.489 3.243 50 10 FGCARM O=C([O-])CN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)SC1=S ZINC000100915029 495066983 /nfs/dbraw/zinc/06/69/83/495066983.db2.gz GYDOXMDXVYKZNG-WTKPLQERSA-N -1 0 363.247 3.192 50 10 FGCARM O=S(=O)([N-]c1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccccc1 ZINC000028248914 507716445 /nfs/dbraw/zinc/71/64/45/507716445.db2.gz PUBHXKBCTZMEPI-UHFFFAOYSA-N -1 0 374.443 3.382 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000753621 536598338 /nfs/dbraw/zinc/59/83/38/536598338.db2.gz VALQYMCBVHFILY-OQLLNIDSSA-N -1 0 372.833 3.180 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1 ZINC000001062677 219361985 /nfs/dbraw/zinc/36/19/85/219361985.db2.gz BWEFKEJJNLSXSQ-UHFFFAOYSA-N -1 0 351.145 3.003 50 10 FGCARM COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001300974 209388379 /nfs/dbraw/zinc/38/83/79/209388379.db2.gz XVLRPVRCGVMPQH-LLBKUYECSA-N -1 0 351.449 3.006 50 10 FGCARM CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)SCCCC(=O)[O-] ZINC000103550073 209254492 /nfs/dbraw/zinc/25/44/92/209254492.db2.gz YRBQDGKBEVHBMH-JFVSRZABSA-N -1 0 355.372 3.166 50 10 FGCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000004865679 207057783 /nfs/dbraw/zinc/05/77/83/207057783.db2.gz SRXUSSWEFVZNPJ-JYRVWZFOSA-N -1 0 357.753 3.018 50 10 FGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000005214843 207087736 /nfs/dbraw/zinc/08/77/36/207087736.db2.gz XLUYPDFTJMZMFG-FSEMZKDTSA-N -1 0 372.265 3.123 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccccc2Cl)C(=O)C1=CNc1ccc(F)cc1 ZINC000005649800 207110247 /nfs/dbraw/zinc/11/02/47/207110247.db2.gz OLESFQDNHFDXHZ-NTEUORMPSA-N -1 0 373.771 3.054 50 10 FGCARM O=C([O-])c1ccc(-n2cccc2C=C2NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000009014139 207255471 /nfs/dbraw/zinc/25/54/71/207255471.db2.gz SSHMKHPXXGTLGA-QGOAFFKASA-N -1 0 373.368 3.477 50 10 FGCARM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000014010496 207495520 /nfs/dbraw/zinc/49/55/20/207495520.db2.gz VCAXJJYXYYTEEN-YBEGLDIGSA-N -1 0 357.406 3.104 50 10 FGCARM CC(C)c1nc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc2[nH]1 ZINC000094993029 209019025 /nfs/dbraw/zinc/01/90/25/209019025.db2.gz HOGSXEKTTJJDBC-UHFFFAOYSA-N -1 0 357.395 3.023 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1 ZINC000001225729 132381280 /nfs/dbraw/zinc/38/12/80/132381280.db2.gz QXWVHLZNGSHUEK-GXDHUFHOSA-N -1 0 371.190 3.116 50 10 FGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001748035 493798128 /nfs/dbraw/zinc/79/81/28/493798128.db2.gz XLUYPDFTJMZMFG-LWYMYGMPSA-N -1 0 372.265 3.123 50 10 FGCARM CCC(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002921273 493825701 /nfs/dbraw/zinc/82/57/01/493825701.db2.gz FSEGXKIBKVPCRY-QGZVFWFLSA-N -1 0 351.362 3.464 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1Cl ZINC000004725191 493890415 /nfs/dbraw/zinc/89/04/15/493890415.db2.gz SBRHTQOTSVKSAW-LCYFTJDESA-N -1 0 372.833 3.180 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNN1CCCCC1 ZINC000008836488 494106270 /nfs/dbraw/zinc/10/62/70/494106270.db2.gz JEBCXHYMRBTTIJ-SSZFMOIBSA-N -1 0 364.405 3.137 50 10 FGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000015012444 494334169 /nfs/dbraw/zinc/33/41/69/494334169.db2.gz UCNCSJNMHPQLIN-ATVHPVEESA-N -1 0 350.374 3.060 50 10 FGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000016511506 494393499 /nfs/dbraw/zinc/39/34/99/494393499.db2.gz WBKADJDGQGGXCC-GXDHUFHOSA-N -1 0 356.765 3.015 50 10 FGCARM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc2[nH]c(=O)[nH]c2c1 ZINC000101125179 570817190 /nfs/dbraw/zinc/81/71/90/570817190.db2.gz RAOYKCHUHYUBRX-NTEUORMPSA-N -1 0 367.796 3.228 50 10 FGCARM CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)SCCCC(=O)[O-] ZINC000103550068 209255190 /nfs/dbraw/zinc/25/51/90/209255190.db2.gz YRBQDGKBEVHBMH-PVEMMZBWSA-N -1 0 355.372 3.166 50 10 FGCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000100524805 209215170 /nfs/dbraw/zinc/21/51/70/209215170.db2.gz WEAPLSBFXIYITQ-FZFLATATSA-N -1 0 353.407 3.393 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S ZINC000006660972 207151323 /nfs/dbraw/zinc/15/13/23/207151323.db2.gz VFIZGRDDQSABCR-WDZFZDKYSA-N -1 0 364.835 3.174 50 10 FGCARM Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc(C)c1OC(F)F ZINC000007166826 207189635 /nfs/dbraw/zinc/18/96/35/207189635.db2.gz NAXXXEPGQMROQX-YHYXMXQVSA-N -1 0 373.402 3.191 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](CC(C)C)C(=O)[O-] ZINC000002216500 263144824 /nfs/dbraw/zinc/14/48/24/263144824.db2.gz QEKIVQJVRWDTOQ-INIZCTEOSA-N -1 0 361.438 3.430 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000004121688 493865467 /nfs/dbraw/zinc/86/54/67/493865467.db2.gz NQOMVZDEJIEGTF-LCYFTJDESA-N -1 0 356.765 3.015 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000034234770 494065716 /nfs/dbraw/zinc/06/57/16/494065716.db2.gz WZKSRVSOUBFNGD-GHXNOFRVSA-N -1 0 358.737 3.258 50 10 FGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cccc(Cl)c1C ZINC000014010986 494300534 /nfs/dbraw/zinc/30/05/34/494300534.db2.gz ZONXASPQOTUSMW-ZROIWOOFSA-N -1 0 371.824 3.148 50 10 FGCARM CCn1c(C)cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c1C ZINC000017207695 494410877 /nfs/dbraw/zinc/41/08/77/494410877.db2.gz KAEJZDCMKCOSRP-BOPFTXTBSA-N -1 0 367.405 3.004 50 10 FGCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000169677723 496716242 /nfs/dbraw/zinc/71/62/42/496716242.db2.gz PPEKDYIIMWJSGI-JXXFODFXSA-N -1 0 366.392 3.467 50 10 FGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000001174119 537078081 /nfs/dbraw/zinc/07/80/81/537078081.db2.gz QEOIFJQTJGDBPI-JLHYYAGUSA-N -1 0 356.765 3.015 50 10 FGCARM COc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004953719 209502832 /nfs/dbraw/zinc/50/28/32/209502832.db2.gz LXZQEAMKEQRPAW-UHFFFAOYSA-N -1 0 366.167 3.114 50 10 FGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ncccc1C ZINC000101834099 209230595 /nfs/dbraw/zinc/23/05/95/209230595.db2.gz AVRNUOSMSCRWBS-NBVRZTHBSA-N -1 0 364.405 3.042 50 10 FGCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Cl ZINC000097963988 209200767 /nfs/dbraw/zinc/20/07/67/209200767.db2.gz OQHJWEZZFRTYKK-IWKHNONTSA-N -1 0 355.785 3.289 50 10 FGCARM CN1c2ccccc2C(C)(C)/C1=C/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000004498133 207022276 /nfs/dbraw/zinc/02/22/76/207022276.db2.gz WOANOBPXYMWGAU-QKPPEBSVSA-N -1 0 374.487 3.127 50 10 FGCARM CCc1ccc(N2[N-]C(=O)/C(=C/c3cc(Cl)cc(OC)c3O)C2=O)cc1 ZINC000004803832 207050153 /nfs/dbraw/zinc/05/01/53/207050153.db2.gz ATPIJJRLFCMARG-DHDCSXOGSA-N -1 0 372.808 3.078 50 10 FGCARM COc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000035305169 208121831 /nfs/dbraw/zinc/12/18/31/208121831.db2.gz XBTFLDWDXOUUKS-ZROIWOOFSA-N -1 0 356.359 3.370 50 10 FGCARM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000001171467 132380723 /nfs/dbraw/zinc/38/07/23/132380723.db2.gz NAUQVFKPWVVWBO-LDADJPATSA-N -1 0 364.401 3.369 50 10 FGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1 ZINC000001172731 132380737 /nfs/dbraw/zinc/38/07/37/132380737.db2.gz IWNJNJFSSVPQAS-VQHVLOKHSA-N -1 0 367.213 3.418 50 10 FGCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCCC2 ZINC000002081358 493801660 /nfs/dbraw/zinc/80/16/60/493801660.db2.gz WSUNAFGFKQEHAA-UHFFFAOYSA-N -1 0 353.440 3.387 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1 ZINC000006224384 493955563 /nfs/dbraw/zinc/95/55/63/493955563.db2.gz FVFNCUQRDPXSBE-ZROIWOOFSA-N -1 0 359.744 3.058 50 10 FGCARM C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)o1 ZINC000008117495 494068670 /nfs/dbraw/zinc/06/86/70/494068670.db2.gz WBCGSUQVUUULPM-LXLDMJRISA-N -1 0 351.449 3.469 50 10 FGCARM Cc1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccccc3F)C2=O)o1 ZINC000012625433 494248149 /nfs/dbraw/zinc/24/81/49/494248149.db2.gz HFPWOYUBUIBWLZ-JYRVWZFOSA-N -1 0 362.407 3.273 50 10 FGCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000014011449 494300564 /nfs/dbraw/zinc/30/05/64/494300564.db2.gz AKNPESZCSZHCQJ-IIMQCXAKSA-N -1 0 350.374 3.345 50 10 FGCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000017028527 494405738 /nfs/dbraw/zinc/40/57/38/494405738.db2.gz ZOSCTIDVCDIABT-RVDMUPIBSA-N -1 0 352.346 3.211 50 10 FGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC ZINC000017146046 494409246 /nfs/dbraw/zinc/40/92/46/494409246.db2.gz RXQRRHRTYJKOPT-ZSOIEALJSA-N -1 0 372.808 3.127 50 10 FGCARM Cc1ccc(O)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000080316254 494675545 /nfs/dbraw/zinc/67/55/45/494675545.db2.gz XKYABLFCULTFLX-KRWDZBQOSA-N -1 0 370.380 3.382 50 10 FGCARM O=C([O-])CCN1C(=O)/C(=C\c2ccccc2Br)SC1=S ZINC000002825106 209399459 /nfs/dbraw/zinc/39/94/59/209399459.db2.gz MVVSVZWWNZFDSS-JXMROGBWSA-N -1 0 372.265 3.125 50 10 FGCARM COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc1OC ZINC000005046752 207075309 /nfs/dbraw/zinc/07/53/09/207075309.db2.gz UWNXQFKBHDIVLH-YBEGLDIGSA-N -1 0 366.373 3.208 50 10 FGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000016671193 209018677 /nfs/dbraw/zinc/01/86/77/209018677.db2.gz XGFHBSUASAOKAQ-QSJINSDNSA-N -1 0 369.218 3.467 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000000830926 132378878 /nfs/dbraw/zinc/37/88/78/132378878.db2.gz NDSICHXFZRJWLE-GZTJUZNOSA-N -1 0 359.385 3.153 50 10 FGCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000001185482 132380807 /nfs/dbraw/zinc/38/08/07/132380807.db2.gz RORAQTQXGKVNRY-XNTDXEJSSA-N -1 0 356.378 3.214 50 10 FGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000001214906 132381170 /nfs/dbraw/zinc/38/11/70/132381170.db2.gz LCFKJAOKJBLEEX-FOWTUZBSSA-N -1 0 367.405 3.101 50 10 FGCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000002486564 493809905 /nfs/dbraw/zinc/80/99/05/493809905.db2.gz GMEAIVBDKJFZFW-JTQLQIEISA-N -1 0 353.440 3.243 50 10 FGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCCC2 ZINC000005021072 493908613 /nfs/dbraw/zinc/90/86/13/493908613.db2.gz UCGQTYPPDYLQHS-MNOVXSKESA-N -1 0 365.451 3.243 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(OC3CCCC3)c2)SC1=S ZINC000055038007 494293023 /nfs/dbraw/zinc/29/30/23/494293023.db2.gz LSJUSBONAYGTGU-NTEUORMPSA-N -1 0 363.460 3.294 50 10 FGCARM COc1cc([O-])c([C@H]2CC(c3cccs3)=NN2C(C)=O)cc1[N+](=O)[O-] ZINC000253426782 497333755 /nfs/dbraw/zinc/33/37/55/497333755.db2.gz IZCZERPXNZKXEL-GFCCVEGCSA-N -1 0 361.379 3.068 50 10 FGCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000000716395 521934457 /nfs/dbraw/zinc/93/44/57/521934457.db2.gz QLLYWUHDCGFFON-RVDMUPIBSA-N -1 0 366.398 3.145 50 10 FGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(F)c(Br)c1 ZINC000001202396 695536026 /nfs/dbraw/zinc/53/60/26/695536026.db2.gz XAGURJLNHRCVEU-XYOKQWHBSA-N -1 0 361.170 3.050 50 10 FGCARM COc1ccc(NC(=O)c2[nH]cnc2NN=C2C=CC(=O)C=C2[O-])cc1 ZINC000006694025 210090526 /nfs/dbraw/zinc/09/05/26/210090526.db2.gz YVTJCAZCOOUUGA-QURGRASLSA-N -1 0 353.338 3.497 50 10 FGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000016133837 220178258 /nfs/dbraw/zinc/17/82/58/220178258.db2.gz YZGMMKKSMUKBLU-NBVRZTHBSA-N -1 0 369.465 3.327 50 10 FGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000002428345 210398215 /nfs/dbraw/zinc/39/82/15/210398215.db2.gz VQTCTJBYHCJMGX-OWTLUSIOSA-N -1 0 374.487 3.489 50 10 FGCARM CCCCC(CCCC)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000019943087 220307079 /nfs/dbraw/zinc/30/70/79/220307079.db2.gz OBJQILIBXBGNIL-JXAWBTAJSA-N -1 0 371.481 3.488 50 10 FGCARM O=C([N-]N1C(=O)/C(=C\c2ccccc2F)SC1=S)c1cccs1 ZINC000001412507 210349402 /nfs/dbraw/zinc/34/94/02/210349402.db2.gz PFRHBPOQRBPEPJ-XYOKQWHBSA-N -1 0 364.448 3.433 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(Cl)c3)C2=O)cc1 ZINC000104690278 132238086 /nfs/dbraw/zinc/23/80/86/132238086.db2.gz SSDBTQDLSVAXNJ-GDNBJRDFSA-N -1 0 355.781 3.227 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(O)c(O)c1 ZINC000001297330 132252681 /nfs/dbraw/zinc/25/26/81/132252681.db2.gz DCBWSCLMCVJGBP-KPKJPENVSA-N -1 0 358.737 3.258 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000001101010 132380058 /nfs/dbraw/zinc/38/00/58/132380058.db2.gz KQEZEUFRLZPYAE-YRNVUSSQSA-N -1 0 370.361 3.226 50 10 FGCARM Cc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)OCO3)C(=O)[N-]C1=S ZINC000001241952 132381346 /nfs/dbraw/zinc/38/13/46/132381346.db2.gz GRUXDERGQQZZGO-MDWZMJQESA-N -1 0 366.398 3.395 50 10 FGCARM Cc1ccc(O)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)/C=C\C(=O)[O-])c1 ZINC000080316264 221695905 /nfs/dbraw/zinc/69/59/05/221695905.db2.gz DBBUMYODQZYLBG-JJEJIETFSA-N -1 0 368.364 3.158 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1C ZINC000004471226 493877144 /nfs/dbraw/zinc/87/71/44/493877144.db2.gz GJPISXNWVMXGIZ-DHDCSXOGSA-N -1 0 371.780 3.326 50 10 FGCARM Cc1nc2cc(F)ccc2cc1C(=O)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000032856014 494022000 /nfs/dbraw/zinc/02/20/00/494022000.db2.gz OOJIREFJFWRNKX-UHFFFAOYSA-N -1 0 355.325 3.226 50 10 FGCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000013774561 494296390 /nfs/dbraw/zinc/29/63/90/494296390.db2.gz ADFBWGXIIFIZHF-UHFFFAOYSA-N -1 0 366.458 3.450 50 10 FGCARM COc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000026771424 494837414 /nfs/dbraw/zinc/83/74/14/494837414.db2.gz RLXXJLGITYTWFS-YQCJOKCJSA-N -1 0 351.449 3.006 50 10 FGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000000705263 525221786 /nfs/dbraw/zinc/22/17/86/525221786.db2.gz PBQBRCZQEZICCW-LFIBNONCSA-N -1 0 359.385 3.153 50 10 FGCARM COc1ccc(N2CCN(c3nc(C)ccc3C(=O)[O-])CC2(C)C)cc1 ZINC000096166464 536701547 /nfs/dbraw/zinc/70/15/47/536701547.db2.gz CFDOUXIRPZIALQ-UHFFFAOYSA-N -1 0 355.438 3.202 50 10 FGCARM O=C([O-])CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1 ZINC000048235055 570937567 /nfs/dbraw/zinc/93/75/67/570937567.db2.gz JNHPHRQYIZZXJX-PTNGSMBKSA-N -1 0 360.435 3.043 50 10 FGCARM COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000001300972 219393672 /nfs/dbraw/zinc/39/36/72/219393672.db2.gz XVLRPVRCGVMPQH-FSBNRTBOSA-N -1 0 351.449 3.006 50 10 FGCARM CC1=CC2=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=N)N2O1 ZINC000020503955 211283163 /nfs/dbraw/zinc/28/31/63/211283163.db2.gz MKSBXNJRVKVRIG-WJNHLLBISA-N -1 0 363.329 3.095 50 10 FGCARM CCN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000020119649 211268649 /nfs/dbraw/zinc/26/86/49/211268649.db2.gz PKCSSTUWGJHRHQ-WZUFQYTHSA-N -1 0 362.183 3.252 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1 ZINC000009165382 210820187 /nfs/dbraw/zinc/82/01/87/210820187.db2.gz WMCFOMOHLKHCLN-UHFFFAOYSA-N -1 0 351.145 3.003 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001829365 210370802 /nfs/dbraw/zinc/37/08/02/210370802.db2.gz PCXNIDMYQSYNFU-HQQGHWSLSA-N -1 0 371.480 3.233 50 10 FGCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000001296714 210340680 /nfs/dbraw/zinc/34/06/80/210340680.db2.gz GPWIRYNJWOERIT-XNTDXEJSSA-N -1 0 354.337 3.337 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3cccc4ccccc43)c2)C(=O)N1 ZINC000001216207 210336593 /nfs/dbraw/zinc/33/65/93/210336593.db2.gz KLVIXZLFTZUBHX-UHFFFAOYSA-N -1 0 372.380 3.168 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)o3)C2=O)c1 ZINC000001213722 132381179 /nfs/dbraw/zinc/38/11/79/132381179.db2.gz YQWUNMSEPWQPSR-XNTDXEJSSA-N -1 0 353.378 3.469 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cnn(-c2ccccc2)c1 ZINC000002852222 132384116 /nfs/dbraw/zinc/38/41/16/132384116.db2.gz JBMDIGWMBKICFO-GZTJUZNOSA-N -1 0 358.357 3.379 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(F)c1 ZINC000002892776 132384362 /nfs/dbraw/zinc/38/43/62/132384362.db2.gz XEBIAUOTDYPZLM-ZROIWOOFSA-N -1 0 359.744 3.058 50 10 FGCARM O=C1NC(=S)S/C1=C/c1cc(Br)cc(Cl)c1[O-] ZINC000003027605 493829268 /nfs/dbraw/zinc/82/92/68/493829268.db2.gz UCJRZERBHWQWEO-FARCUNLSSA-N -1 0 350.646 3.297 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(F)c3)C2=O)cc1C ZINC000005647444 493938195 /nfs/dbraw/zinc/93/81/95/493938195.db2.gz ZKHSRFDZRNNCLB-MHWRWJLKSA-N -1 0 353.353 3.021 50 10 FGCARM COc1ccc(NC2=NC(=O)C(=Cc3ccc(CC(=O)[O-])cc3)S2)cc1 ZINC000005810768 493943743 /nfs/dbraw/zinc/94/37/43/493943743.db2.gz VVKJMYJWFAFEKI-YBEGLDIGSA-N -1 0 368.414 3.405 50 10 FGCARM CC(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000006253652 493956573 /nfs/dbraw/zinc/95/65/73/493956573.db2.gz CJSWDGDCLYVYAQ-JTQLQIEISA-N -1 0 353.440 3.241 50 10 FGCARM COc1ccccc1/C=C/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000007166614 494004857 /nfs/dbraw/zinc/00/48/57/494004857.db2.gz ITEIZBWMOONPAU-DBBRDBGQSA-N -1 0 363.460 3.317 50 10 FGCARM O=C([O-])c1ccc(/C=C2/SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000033322516 494057924 /nfs/dbraw/zinc/05/79/24/494057924.db2.gz GYWMTGQVPWQEKM-RIYZIHGNSA-N -1 0 357.412 3.496 50 10 FGCARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000036358086 494090156 /nfs/dbraw/zinc/09/01/56/494090156.db2.gz LDGZMPYXUMHGNT-UHFFFAOYSA-N -1 0 361.398 3.135 50 10 FGCARM CCCC[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000011865497 494194765 /nfs/dbraw/zinc/19/47/65/494194765.db2.gz YTWACHHBSSXCNS-INIZCTEOSA-N -1 0 355.390 3.385 50 10 FGCARM CCCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000015836090 494369672 /nfs/dbraw/zinc/36/96/72/494369672.db2.gz HOWSAFZDCQSOSJ-OWBHPGMISA-N -1 0 368.364 3.281 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C/c2ccccc2OC2CCCC2)SC1=S ZINC000063454127 212032007 /nfs/dbraw/zinc/03/20/07/212032007.db2.gz ZYXXYERMYZZFNQ-ZROIWOOFSA-N -1 0 363.460 3.294 50 10 FGCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000001220343 210336607 /nfs/dbraw/zinc/33/66/07/210336607.db2.gz QBGACHRKGQIBGJ-ZSOIEALJSA-N -1 0 360.211 3.037 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000000843283 132251807 /nfs/dbraw/zinc/25/18/07/132251807.db2.gz SMSYWNMQZNOHOQ-YBEGLDIGSA-N -1 0 370.792 3.323 50 10 FGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001201795 132381058 /nfs/dbraw/zinc/38/10/58/132381058.db2.gz UCNCSJNMHPQLIN-SFQUDFHCSA-N -1 0 350.374 3.060 50 10 FGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000001220120 493790590 /nfs/dbraw/zinc/79/05/90/493790590.db2.gz POLAXLQUQUEMGA-XXYUJHKVSA-N -1 0 364.492 3.063 50 10 FGCARM CCCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000002991990 493828230 /nfs/dbraw/zinc/82/82/30/493828230.db2.gz FWEYSBWFZXBCIR-GHRIWEEISA-N -1 0 366.417 3.336 50 10 FGCARM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000004701967 493887784 /nfs/dbraw/zinc/88/77/84/493887784.db2.gz YTTCNMUJRHWHQV-QINSGFPZSA-N -1 0 368.364 3.281 50 10 FGCARM CCN(CC)/N=N/c1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000012508144 494237144 /nfs/dbraw/zinc/23/71/44/494237144.db2.gz ZPZPFNTYBRUKJR-XUTLUUPISA-N -1 0 362.459 3.235 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1C ZINC000013551413 494289284 /nfs/dbraw/zinc/28/92/84/494289284.db2.gz LUAPMMLSCLAOBR-LICLKQGHSA-N -1 0 359.385 3.451 50 10 FGCARM CCCCC(CCCC)NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000214997682 496977350 /nfs/dbraw/zinc/97/73/50/496977350.db2.gz OBJQILIBXBGNIL-NBVRZTHBSA-N -1 0 371.481 3.488 50 10 FGCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 ZINC000000669314 219311722 /nfs/dbraw/zinc/31/17/22/219311722.db2.gz JBIVLRBTPPKKDP-QPEQYQDCSA-N -1 0 355.756 3.422 50 10 FGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000001197257 132381019 /nfs/dbraw/zinc/38/10/19/132381019.db2.gz YDJBGTCOKFOKEI-WQRHYEAKSA-N -1 0 364.401 3.485 50 10 FGCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C ZINC000001220821 132381131 /nfs/dbraw/zinc/38/11/31/132381131.db2.gz WHCXRDQUDCUIBE-LICLKQGHSA-N -1 0 351.406 3.130 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000001225771 132381253 /nfs/dbraw/zinc/38/12/53/132381253.db2.gz RFCHMOZFWRTZOP-XNTDXEJSSA-N -1 0 356.765 3.015 50 10 FGCARM CC(C)C(=O)N[C@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004140299 493866144 /nfs/dbraw/zinc/86/61/44/493866144.db2.gz YXSQDCUYDOWPHY-HNNXBMFYSA-N -1 0 355.350 3.303 50 10 FGCARM O=C([O-])c1cc(-c2ccc(C(=S)N3CCOCC3)o2)ccc1Cl ZINC000004866025 493897706 /nfs/dbraw/zinc/89/77/06/493897706.db2.gz WWEZKEFJXFPKGI-UHFFFAOYSA-N -1 0 351.811 3.306 50 10 FGCARM COc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000033333843 494058799 /nfs/dbraw/zinc/05/87/99/494058799.db2.gz OFURJNOVUGHIST-CXUHLZMHSA-N -1 0 366.373 3.208 50 10 FGCARM CCCn1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000009273374 517622595 /nfs/dbraw/zinc/62/25/95/517622595.db2.gz FKEXQVJTDGTPFI-RIYZIHGNSA-N -1 0 360.460 3.337 50 10 FGCARM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)ccc1Br ZINC000014256622 211089495 /nfs/dbraw/zinc/08/94/95/211089495.db2.gz CTDDBQZEOIZGHO-UHFFFAOYSA-N -1 0 368.212 3.095 50 10 FGCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000014011452 211067138 /nfs/dbraw/zinc/06/71/38/211067138.db2.gz AKNPESZCSZHCQJ-HIXWQLQUSA-N -1 0 350.374 3.345 50 10 FGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S ZINC000001916878 210375557 /nfs/dbraw/zinc/37/55/57/210375557.db2.gz XTSOELVQZHNYGU-JLHYYAGUSA-N -1 0 351.449 3.238 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000059475179 221126862 /nfs/dbraw/zinc/12/68/62/221126862.db2.gz ABPQACATGYGFCJ-OQLLNIDSSA-N -1 0 362.307 3.175 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c(C)c1 ZINC000001175448 132380761 /nfs/dbraw/zinc/38/07/61/132380761.db2.gz ZNBBVIDYABDHCO-MDWZMJQESA-N -1 0 370.792 3.329 50 10 FGCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)C(=O)[N-]C2=S)cc1 ZINC000002877870 132384344 /nfs/dbraw/zinc/38/43/44/132384344.db2.gz JXJJEPFSIALQDX-LFIBNONCSA-N -1 0 370.405 3.056 50 10 FGCARM Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(Oc2ccccc2)cc1 ZINC000100524807 222246368 /nfs/dbraw/zinc/24/63/68/222246368.db2.gz WEAPLSBFXIYITQ-CVTQAYBASA-N -1 0 353.407 3.393 50 10 FGCARM CCCCOc1ccccc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000002812033 493821185 /nfs/dbraw/zinc/82/11/85/493821185.db2.gz OQEFHNSAVCOUCB-UKTHLTGXSA-N -1 0 351.449 3.151 50 10 FGCARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3O)C2)cc1 ZINC000005043662 493909645 /nfs/dbraw/zinc/90/96/45/493909645.db2.gz KEQQNNCMFJWEGQ-KRWDZBQOSA-N -1 0 352.390 3.243 50 10 FGCARM O=C1[N-]C(=O)C(=CNc2ccccc2Sc2ccc(Cl)cc2)C(=O)N1 ZINC000007737306 494039339 /nfs/dbraw/zinc/03/93/39/494039339.db2.gz FXNKILFJBJRRPJ-UHFFFAOYSA-N -1 0 373.821 3.153 50 10 FGCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000013039592 494277550 /nfs/dbraw/zinc/27/75/50/494277550.db2.gz FAVDKQUYFPXSKF-YBEGLDIGSA-N -1 0 359.385 3.451 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(OC)c1 ZINC000009087694 210250360 /nfs/dbraw/zinc/25/03/60/210250360.db2.gz CSHOXPAZXUQLHP-UKTHLTGXSA-N -1 0 370.336 3.350 50 10 FGCARM O=C([O-])CCN1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000017993677 220220430 /nfs/dbraw/zinc/22/04/30/220220430.db2.gz KTKYSRXRISIZRF-QAHSQZNUSA-N -1 0 353.852 3.485 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/C=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000017282477 211183371 /nfs/dbraw/zinc/18/33/71/211183371.db2.gz ZVPZZPNUJOTKPN-VDZUBFLMSA-N -1 0 363.373 3.229 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1 ZINC000013551961 211039821 /nfs/dbraw/zinc/03/98/21/211039821.db2.gz YZNUDNVZFQPLND-UHFFFAOYSA-N -1 0 351.145 3.003 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccs1 ZINC000004700952 132255221 /nfs/dbraw/zinc/25/52/21/132255221.db2.gz IDBKNYXUOQOMBL-WQLSENKSSA-N -1 0 366.320 3.433 50 10 FGCARM Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000002892812 132384368 /nfs/dbraw/zinc/38/43/68/132384368.db2.gz JVMKAJBLDDXWJR-BENRWUELSA-N -1 0 355.781 3.227 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(F)cc1 ZINC000005649348 132829403 /nfs/dbraw/zinc/82/94/03/132829403.db2.gz IFKNKINTTNGDLY-ZROIWOOFSA-N -1 0 359.744 3.058 50 10 FGCARM COc1ccccc1/C=C/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O ZINC000097990686 222218959 /nfs/dbraw/zinc/21/89/59/222218959.db2.gz ITEIZBWMOONPAU-CEOICYJGSA-N -1 0 363.460 3.317 50 10 FGCARM Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)o1 ZINC000002891727 493824454 /nfs/dbraw/zinc/82/44/54/493824454.db2.gz FFTROZJFJDKSFW-UHFFFAOYSA-N -1 0 355.306 3.061 50 10 FGCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1 ZINC000005347934 493926992 /nfs/dbraw/zinc/92/69/92/493926992.db2.gz YMGIJUKMVDMGRY-VGOFMYFVSA-N -1 0 373.411 3.202 50 10 FGCARM NC(=O)c1c([N-]S(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000006471633 493965041 /nfs/dbraw/zinc/96/50/41/493965041.db2.gz YEBQCPWCYLYYOY-UHFFFAOYSA-N -1 0 370.883 3.180 50 10 FGCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000039361380 494121403 /nfs/dbraw/zinc/12/14/03/494121403.db2.gz FNBFRLHMLNLQLA-MDWZMJQESA-N -1 0 368.784 3.228 50 10 FGCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000014011088 494300103 /nfs/dbraw/zinc/30/01/03/494300103.db2.gz LYEYBSVNDFVEIX-GDNBJRDFSA-N -1 0 356.765 3.015 50 10 FGCARM C[C@@H]1CCC[C@@H](NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@H]1C ZINC000245247792 210211916 /nfs/dbraw/zinc/21/19/16/210211916.db2.gz XJMUZMBWWFXJKP-SBGRJSLJSA-N -1 0 355.438 3.404 50 10 FGCARM COc1ccccc1C=C1C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O ZINC000017028326 211175005 /nfs/dbraw/zinc/17/50/05/211175005.db2.gz CBCFFGHGRHHVDE-FOWTUZBSSA-N -1 0 368.364 3.379 50 10 FGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000015724162 211139415 /nfs/dbraw/zinc/13/94/15/211139415.db2.gz UXTQDDPMWCKPPN-ZROIWOOFSA-N -1 0 361.170 3.050 50 10 FGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000001786442 210370768 /nfs/dbraw/zinc/37/07/68/210370768.db2.gz LXMBGQDOVMXPCX-NASPGAHYSA-N -1 0 351.449 3.150 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000001101036 210316259 /nfs/dbraw/zinc/31/62/59/210316259.db2.gz QECZPCSXINXMEZ-JXMROGBWSA-N -1 0 365.172 3.345 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001084629 210314278 /nfs/dbraw/zinc/31/42/78/210314278.db2.gz MOORPLHGYGULKX-MDWZMJQESA-N -1 0 363.200 3.463 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N1 ZINC000000974825 210297367 /nfs/dbraw/zinc/29/73/67/210297367.db2.gz LNBTWIVKVWQVDV-UHFFFAOYSA-N -1 0 361.151 3.299 50 10 FGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000005061614 132256153 /nfs/dbraw/zinc/25/61/53/132256153.db2.gz LGUHQIXMQAYHIN-BOPFTXTBSA-N -1 0 350.374 3.182 50 10 FGCARM CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(C)c2C)C(=O)[N-]C1=S ZINC000008914513 132844294 /nfs/dbraw/zinc/84/42/94/132844294.db2.gz MBZSPLNEOFNLJF-WJDWOHSUSA-N -1 0 367.474 3.447 50 10 FGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1C1CC1 ZINC000003462520 493847147 /nfs/dbraw/zinc/84/71/47/493847147.db2.gz YGLABGRETOIAKZ-GZTJUZNOSA-N -1 0 355.438 3.234 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C(=O)N1 ZINC000004093955 493864339 /nfs/dbraw/zinc/86/43/39/493864339.db2.gz SHCXUGBTGURVFB-UHFFFAOYSA-N -1 0 361.357 3.337 50 10 FGCARM CCn1c(C)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000004544563 493881290 /nfs/dbraw/zinc/88/12/90/493881290.db2.gz RVOKMCOVOYWIFB-YBEGLDIGSA-N -1 0 371.824 3.445 50 10 FGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCCC2 ZINC000005021075 493909321 /nfs/dbraw/zinc/90/93/21/493909321.db2.gz UCGQTYPPDYLQHS-GHMZBOCLSA-N -1 0 365.451 3.243 50 10 FGCARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3O)C2)cc1 ZINC000005043663 493909737 /nfs/dbraw/zinc/90/97/37/493909737.db2.gz KEQQNNCMFJWEGQ-QGZVFWFLSA-N -1 0 352.390 3.243 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006096973 493951687 /nfs/dbraw/zinc/95/16/87/493951687.db2.gz NGBCUZOLYWHZEJ-HZAKCSEPSA-N -1 0 359.519 3.156 50 10 FGCARM CC(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000006250424 493956609 /nfs/dbraw/zinc/95/66/09/493956609.db2.gz CJSWDGDCLYVYAQ-SNVBAGLBSA-N -1 0 353.440 3.241 50 10 FGCARM O=C([O-])CCCNC1=NC(=O)C(=Cc2ccccc2C(F)(F)F)S1 ZINC000006926819 493987546 /nfs/dbraw/zinc/98/75/46/493987546.db2.gz LMQANTOWGZRIMT-FLIBITNWSA-N -1 0 358.341 3.130 50 10 FGCARM CCOc1ccccc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000007166590 494004815 /nfs/dbraw/zinc/00/48/15/494004815.db2.gz XKKFJCGLNOSUQU-RAXLEYEMSA-N -1 0 351.449 3.151 50 10 FGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1ccccc1F ZINC000009319908 494120366 /nfs/dbraw/zinc/12/03/66/494120366.db2.gz FVLDUPYGVVRHOI-OWBHPGMISA-N -1 0 357.385 3.090 50 10 FGCARM CC(C)c1nc(/C=C\c2ccc(N3CCOCC3)c(F)c2)ncc1C(=O)[O-] ZINC000606443883 507406703 /nfs/dbraw/zinc/40/67/03/507406703.db2.gz HWJNLIHYWROTCP-XQRVVYSFSA-N -1 0 371.412 3.444 50 10 FGCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2cccc(Cl)c2)C1=O ZINC000013838366 211062066 /nfs/dbraw/zinc/06/20/66/211062066.db2.gz RLECPDIMUABTJV-ZSOIEALJSA-N -1 0 363.200 3.463 50 10 FGCARM O=C([O-])c1cccc(COc2ccc(/C=C3/SC(=S)NC3=O)cc2)c1 ZINC000002302272 210390904 /nfs/dbraw/zinc/39/09/04/210390904.db2.gz VJXKJXOOKLQHFZ-OQLLNIDSSA-N -1 0 371.439 3.453 50 10 FGCARM COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000001786506 210370853 /nfs/dbraw/zinc/37/08/53/210370853.db2.gz MPDTWZMDASDWNU-FSBNRTBOSA-N -1 0 351.449 3.006 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)c1 ZINC000001192811 132380948 /nfs/dbraw/zinc/38/09/48/132380948.db2.gz XKIBKZPVRBDVRU-XYOKQWHBSA-N -1 0 357.347 3.471 50 10 FGCARM CCCCN1C(=O)[N-]C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C1=O ZINC000005477794 493932624 /nfs/dbraw/zinc/93/26/24/493932624.db2.gz WJKGCZDFUYJCLY-SDXDJHTJSA-N -1 0 369.465 3.329 50 10 FGCARM CCCCCCNC=C1C(=O)[N-]C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000006187047 493954476 /nfs/dbraw/zinc/95/44/76/493954476.db2.gz OGOVEPVNAPUPLF-FOWTUZBSSA-N -1 0 359.495 3.105 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000006212425 493955327 /nfs/dbraw/zinc/95/53/27/493955327.db2.gz NIDVNKUYNQFOFK-NTEUORMPSA-N -1 0 356.765 3.020 50 10 FGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)ccc1O ZINC000009013349 494111722 /nfs/dbraw/zinc/11/17/22/494111722.db2.gz AXFUKJKINBWGDR-MDWZMJQESA-N -1 0 356.309 3.047 50 10 FGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000014011085 494300379 /nfs/dbraw/zinc/30/03/79/494300379.db2.gz NSJLEMBWTUEBMK-WJDWOHSUSA-N -1 0 370.792 3.405 50 10 FGCARM Cc1ccc(O)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000080316260 494676538 /nfs/dbraw/zinc/67/65/38/494676538.db2.gz XKYABLFCULTFLX-QGZVFWFLSA-N -1 0 370.380 3.382 50 10 FGCARM Cc1cc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000262811998 497625911 /nfs/dbraw/zinc/62/59/11/497625911.db2.gz BCKWQUUYHSKSDR-AWEZNQCLSA-N -1 0 372.318 3.369 50 10 FGCARM CN(C)C(=O)N[C@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684884 219595177 /nfs/dbraw/zinc/59/51/77/219595177.db2.gz VTVQJSLLZFZDJG-MRXNPFEDSA-N -1 0 366.377 3.209 50 10 FGCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@H](C)C(=O)[O-])c2oc1=O ZINC000016031070 220175918 /nfs/dbraw/zinc/17/59/18/220175918.db2.gz WQBHXMNVRLHENQ-CYBMUJFWSA-N -1 0 361.438 3.493 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000001220802 132381163 /nfs/dbraw/zinc/38/11/63/132381163.db2.gz ZRJRUKFROXUCSD-MDWZMJQESA-N -1 0 356.765 3.020 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000002892804 132384316 /nfs/dbraw/zinc/38/43/16/132384316.db2.gz IVQHGCGFYRJJML-RAXLEYEMSA-N -1 0 355.781 3.227 50 10 FGCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000002486565 493810270 /nfs/dbraw/zinc/81/02/70/493810270.db2.gz GMEAIVBDKJFZFW-SNVBAGLBSA-N -1 0 353.440 3.243 50 10 FGCARM CC(C)CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])SC1=S ZINC000002819130 493821333 /nfs/dbraw/zinc/82/13/33/493821333.db2.gz DWCNJAQQBPVKBJ-QPEQYQDCSA-N -1 0 351.449 3.007 50 10 FGCARM O=C([O-])CCN1C(=O)/C(=C/c2ccccc2Br)SC1=S ZINC000002825107 493821369 /nfs/dbraw/zinc/82/13/69/493821369.db2.gz MVVSVZWWNZFDSS-YFHOEESVSA-N -1 0 372.265 3.125 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1C ZINC000005090967 493913821 /nfs/dbraw/zinc/91/38/21/493913821.db2.gz ISTSIPNBRAQSCX-GZTJUZNOSA-N -1 0 364.401 3.287 50 10 FGCARM O=C([N-]N1C(=O)/C(=C/C=C\c2ccccc2)SC1=S)c1ccco1 ZINC000033340385 494059294 /nfs/dbraw/zinc/05/92/94/494059294.db2.gz HQQFAKOQLHGQBF-KYDKPVRDSA-N -1 0 356.428 3.382 50 10 FGCARM CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1Cl ZINC000009234591 494117962 /nfs/dbraw/zinc/11/79/62/494117962.db2.gz CAWFJIHZYQHIAS-WDZFZDKYSA-N -1 0 357.840 3.025 50 10 FGCARM CCn1c(C)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1C ZINC000015013517 494334016 /nfs/dbraw/zinc/33/40/16/494334016.db2.gz KBRZJGPGVUHDMD-UVTDQMKNSA-N -1 0 371.437 3.095 50 10 FGCARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c([O-])c1CN1CCOCC1 ZINC000026920243 494845560 /nfs/dbraw/zinc/84/55/60/494845560.db2.gz SAVMIZWOTIBMAM-UHFFFAOYSA-N -1 0 351.402 3.306 50 10 FGCARM CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000000693136 519836639 /nfs/dbraw/zinc/83/66/39/519836639.db2.gz LYMPCSNUCUPYOZ-GZTJUZNOSA-N -1 0 366.442 3.347 50 10 FGCARM CCN(CC)N=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000252642773 520761996 /nfs/dbraw/zinc/76/19/96/520761996.db2.gz ZPZPFNTYBRUKJR-UHFFFAOYSA-N -1 0 362.459 3.235 50 10 FGCARM Cc1cc(C)cc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c1 ZINC000000660990 524411332 /nfs/dbraw/zinc/41/13/32/524411332.db2.gz UPOKWSHLLYMEKT-FWPHUCDGSA-N -1 0 352.415 3.284 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000003238189 695537004 /nfs/dbraw/zinc/53/70/04/695537004.db2.gz LSUPDRCDBNTUIM-DHZHZOJOSA-N -1 0 373.402 3.354 50 10 FGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)c(Cl)c3)C2=O)cc1 ZINC000001067961 219362480 /nfs/dbraw/zinc/36/24/80/219362480.db2.gz BCGMEALSKNSCJD-NTEUORMPSA-N -1 0 359.788 3.007 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1 ZINC000002949332 219477042 /nfs/dbraw/zinc/47/70/42/219477042.db2.gz HCBYAEYUTXTTEQ-UHFFFAOYSA-N -1 0 372.380 3.168 50 10 FGCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)c1 ZINC000003353959 219503623 /nfs/dbraw/zinc/50/36/23/219503623.db2.gz RGADPTDOEWIUCQ-ZSOIEALJSA-N -1 0 357.412 3.496 50 10 FGCARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000008995273 219873871 /nfs/dbraw/zinc/87/38/71/219873871.db2.gz HIXAWXYJYIDAFO-OWBHPGMISA-N -1 0 360.373 3.108 50 10 FGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccccc1 ZINC000013522455 220070896 /nfs/dbraw/zinc/07/08/96/220070896.db2.gz ZRCCDSAAMJJQCI-DFBITEFZSA-N -1 0 364.376 3.086 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000100986922 132233558 /nfs/dbraw/zinc/23/35/58/132233558.db2.gz AVLOCAXNHBHVCP-ZROIWOOFSA-N -1 0 359.744 3.058 50 10 FGCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000001195012 132380956 /nfs/dbraw/zinc/38/09/56/132380956.db2.gz USLXOBUSQMRNPT-XNTDXEJSSA-N -1 0 370.792 3.323 50 10 FGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000002914885 132384346 /nfs/dbraw/zinc/38/43/46/132384346.db2.gz PEAMPPIFNHTJKW-OQLLNIDSSA-N -1 0 356.834 3.480 50 10 FGCARM CCc1cccc2c(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)c[nH]c21 ZINC000097990677 222218617 /nfs/dbraw/zinc/21/86/17/222218617.db2.gz VCDOJLSJEPRLOC-MDWZMJQESA-N -1 0 360.460 3.406 50 10 FGCARM COc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000001786513 493798931 /nfs/dbraw/zinc/79/89/31/493798931.db2.gz RLXXJLGITYTWFS-FSBNRTBOSA-N -1 0 351.449 3.006 50 10 FGCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001817320 493799141 /nfs/dbraw/zinc/79/91/41/493799141.db2.gz NEKSCRPLGMYFGM-XXYUJHKVSA-N -1 0 356.428 3.109 50 10 FGCARM COc1ccc(NC(=O)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004535876 493881660 /nfs/dbraw/zinc/88/16/60/493881660.db2.gz IMENXEDJLBWHSG-UHFFFAOYSA-N -1 0 373.364 3.429 50 10 FGCARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000005043651 493909930 /nfs/dbraw/zinc/90/99/30/493909930.db2.gz LLPPRWQGHVXABR-KRWDZBQOSA-N -1 0 352.390 3.325 50 10 FGCARM COc1cccc(NC(=O)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)c1 ZINC000005044197 493909955 /nfs/dbraw/zinc/90/99/55/493909955.db2.gz OWPPDEMVLAJCQB-UHFFFAOYSA-N -1 0 373.364 3.429 50 10 FGCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000005173465 493917226 /nfs/dbraw/zinc/91/72/26/493917226.db2.gz AHFIUYRTBLJCPX-DHDCSXOGSA-N -1 0 372.808 3.127 50 10 FGCARM COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000005205502 493919587 /nfs/dbraw/zinc/91/95/87/493919587.db2.gz KVIPAUQURZGEOC-INIZCTEOSA-N -1 0 358.438 3.332 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3C(C)(C)C)C2=O)c1 ZINC000032122971 493975760 /nfs/dbraw/zinc/97/57/60/493975760.db2.gz YANSUBMIEBJALF-VBKFSLOCSA-N -1 0 351.406 3.218 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813990 493981822 /nfs/dbraw/zinc/98/18/22/493981822.db2.gz CEKIKDCYVMXJDS-KTKRTIGZSA-N -1 0 366.377 3.374 50 10 FGCARM CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(OCC)C3=O)ccc21 ZINC000008741462 494102888 /nfs/dbraw/zinc/10/28/88/494102888.db2.gz RVWLLRVHBKOSBB-NTCAYCPXSA-N -1 0 357.410 3.103 50 10 FGCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 ZINC000027530356 494871057 /nfs/dbraw/zinc/87/10/57/494871057.db2.gz MWLGWJPCDPRJIM-RIYZIHGNSA-N -1 0 356.428 3.115 50 10 FGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C(C)C)cc2)C1=O ZINC000001202156 536981780 /nfs/dbraw/zinc/98/17/80/536981780.db2.gz VOWCKUCZBZRUBC-SFQUDFHCSA-N -1 0 364.401 3.485 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1 ZINC000002837544 695536584 /nfs/dbraw/zinc/53/65/84/695536584.db2.gz VYQHAVCFOCWULI-PTNGSMBKSA-N -1 0 351.431 3.047 50 10 FGCARM COc1cc([O-])c(CN2CCOCC2)c2oc(-c3ccccc3)cc(=O)c12 ZINC000013629868 220080003 /nfs/dbraw/zinc/08/00/03/220080003.db2.gz PNYBSIJEWRIALJ-UHFFFAOYSA-N -1 0 367.401 3.006 50 10 FGCARM CCCCOc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000016213131 220180045 /nfs/dbraw/zinc/18/00/45/220180045.db2.gz OQEFHNSAVCOUCB-LCYFTJDESA-N -1 0 351.449 3.151 50 10 FGCARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc2nonc21 ZINC000001033917 132379637 /nfs/dbraw/zinc/37/96/37/132379637.db2.gz WSQVRYZXWSCXHT-UHFFFAOYSA-N -1 0 358.423 3.014 50 10 FGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cccn2-c2ccccc2)C1=O ZINC000001170299 132380626 /nfs/dbraw/zinc/38/06/26/132380626.db2.gz JECSQJBXFIBASP-NBVRZTHBSA-N -1 0 371.396 3.452 50 10 FGCARM CSc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004673317 132387111 /nfs/dbraw/zinc/38/71/11/132387111.db2.gz SSAZZLVAPPCEMX-GDNBJRDFSA-N -1 0 372.446 3.379 50 10 FGCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100031707 222232872 /nfs/dbraw/zinc/23/28/72/222232872.db2.gz INLSQRQXBZRBMV-RVDMUPIBSA-N -1 0 352.350 3.322 50 10 FGCARM O=C([O-])c1ccc(COc2ccccc2/C=C2/SC(=S)NC2=O)cc1 ZINC000001173621 493788502 /nfs/dbraw/zinc/78/85/02/493788502.db2.gz DXUOEFPORLVBBT-OQLLNIDSSA-N -1 0 371.439 3.453 50 10 FGCARM COc1ccc2c(c1)N(CCCS(=O)(=O)[O-])/C(=C/C(C)=S)S2 ZINC000003145423 493830982 /nfs/dbraw/zinc/83/09/82/493830982.db2.gz LBEWJRSAUSTFRP-ZSOIEALJSA-N -1 0 359.494 3.116 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1C ZINC000003465192 493846855 /nfs/dbraw/zinc/84/68/55/493846855.db2.gz UTBDLXSPJFDKIJ-JLHYYAGUSA-N -1 0 369.421 3.186 50 10 FGCARM Cc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)o1 ZINC000004356932 493874592 /nfs/dbraw/zinc/87/45/92/493874592.db2.gz BUXTWARIGGNSKA-MFYHJKBNSA-N -1 0 373.455 3.485 50 10 FGCARM CCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O ZINC000004520965 493880271 /nfs/dbraw/zinc/88/02/71/493880271.db2.gz ZLWGRCJCHDRNKV-MDWZMJQESA-N -1 0 360.753 3.211 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1 ZINC000004703283 493888119 /nfs/dbraw/zinc/88/81/19/493888119.db2.gz JMSVRUNMSPXJSZ-RGEXLXHISA-N -1 0 371.396 3.452 50 10 FGCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000005392716 493927820 /nfs/dbraw/zinc/92/78/20/493927820.db2.gz GDOXLNIPMMKLNO-LLVKDONJSA-N -1 0 364.492 3.081 50 10 FGCARM Cc1ccc2nc(C)c(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])cc2c1 ZINC000032854924 494021691 /nfs/dbraw/zinc/02/16/91/494021691.db2.gz IXBLMEXDHJNUPR-UHFFFAOYSA-N -1 0 351.362 3.395 50 10 FGCARM COc1ccc(-c2cc3ccc([O-])c(CN4CCOCC4)c3oc2=O)cc1 ZINC000020426512 494472605 /nfs/dbraw/zinc/47/26/05/494472605.db2.gz AMHXJTDQBLELFU-UHFFFAOYSA-N -1 0 367.401 3.006 50 10 FGCARM COc1cc([O-])c([C@@H]2CC(c3cccs3)=NN2C(C)=O)cc1[N+](=O)[O-] ZINC000253426839 497333635 /nfs/dbraw/zinc/33/36/35/497333635.db2.gz IZCZERPXNZKXEL-LBPRGKRZSA-N -1 0 361.379 3.068 50 10 FGCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000000753612 536981707 /nfs/dbraw/zinc/98/17/07/536981707.db2.gz WLKUEGGDRLTNDI-GXDHUFHOSA-N -1 0 372.833 3.180 50 10 FGCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000002451381 219445470 /nfs/dbraw/zinc/44/54/70/219445470.db2.gz DFQKHXIVYFGVOP-YFHOEESVSA-N -1 0 372.265 3.125 50 10 FGCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 ZINC000004193744 219555213 /nfs/dbraw/zinc/55/52/13/219555213.db2.gz MWLGWJPCDPRJIM-ZSOIEALJSA-N -1 0 356.428 3.115 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C/c2cccc(OC3CCCC3)c2)SC1=S ZINC000055038006 221057369 /nfs/dbraw/zinc/05/73/69/221057369.db2.gz LSJUSBONAYGTGU-ZROIWOOFSA-N -1 0 363.460 3.294 50 10 FGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100071290 132232065 /nfs/dbraw/zinc/23/20/65/132232065.db2.gz QOLXMINZPJBCKT-WJDWOHSUSA-N -1 0 364.361 3.064 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000100986924 132233634 /nfs/dbraw/zinc/23/36/34/132233634.db2.gz OXEUHVMKNZLQRS-ZROIWOOFSA-N -1 0 373.771 3.366 50 10 FGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1 ZINC000004356703 493874354 /nfs/dbraw/zinc/87/43/54/493874354.db2.gz VCILSOIMBYJYTF-ZROIWOOFSA-N -1 0 357.412 3.496 50 10 FGCARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000004809271 493893104 /nfs/dbraw/zinc/89/31/04/493893104.db2.gz BLWRODRJLRHTHQ-UHFFFAOYSA-N -1 0 362.190 3.198 50 10 FGCARM C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)o1 ZINC000008117497 494068511 /nfs/dbraw/zinc/06/85/11/494068511.db2.gz WBCGSUQVUUULPM-ANYQKZHNSA-N -1 0 351.449 3.469 50 10 FGCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000038186490 494111317 /nfs/dbraw/zinc/11/13/17/494111317.db2.gz KWJLUDJDVNVVFR-LICLKQGHSA-N -1 0 365.389 3.426 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000013800483 494296951 /nfs/dbraw/zinc/29/69/51/494296951.db2.gz PXENVVPIVFUIOI-QPEQYQDCSA-N -1 0 374.755 3.154 50 10 FGCARM Nc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1ccc2c(c1)OCO2 ZINC000334159051 497883651 /nfs/dbraw/zinc/88/36/51/497883651.db2.gz MBZAHYHAIOBKON-UHFFFAOYSA-N -1 0 374.360 3.416 50 10 FGCARM O=C([O-])/C=C\c1cnc(/C=C/c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000606445928 507406821 /nfs/dbraw/zinc/40/68/21/507406821.db2.gz AQCKMNHWJNHMMB-JGJYBARTSA-N -1 0 360.410 3.387 50 10 FGCARM CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000004093775 517524254 /nfs/dbraw/zinc/52/42/54/517524254.db2.gz AKNPESZCSZHCQJ-QCUKBLKESA-N -1 0 350.374 3.345 50 10 FGCARM Cc1[nH]c2ccc(C)cc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001162089 219383614 /nfs/dbraw/zinc/38/36/14/219383614.db2.gz FJFVQAHSRVPKKZ-WOJGMQOQSA-N -1 0 373.412 3.447 50 10 FGCARM Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)[N-]C(=O)N(C)C2=O)o1 ZINC000001201155 219388166 /nfs/dbraw/zinc/38/81/66/219388166.db2.gz XPIHPKHYLBOHCT-MDWZMJQESA-N -1 0 355.306 3.095 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000016662482 220189353 /nfs/dbraw/zinc/18/93/53/220189353.db2.gz IWIGNKGGVOTHJA-OQLLNIDSSA-N -1 0 373.771 3.054 50 10 FGCARM O=c1[nH]nc2[n-]c3c(c(-c4ccc([N+](=O)[O-])cc4)c1-2)C(=O)c1ccccc1-3 ZINC000018196147 220227524 /nfs/dbraw/zinc/22/75/24/220227524.db2.gz IPGYHECYEPDIQB-UHFFFAOYSA-N -1 0 358.313 3.450 50 10 FGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001233286 132381370 /nfs/dbraw/zinc/38/13/70/132381370.db2.gz BIEOQFVSIMNLLE-LFIBNONCSA-N -1 0 369.808 3.072 50 10 FGCARM CC(C)COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000096297687 222113677 /nfs/dbraw/zinc/11/36/77/222113677.db2.gz XUGXKYIUCZCTHI-NTUHNPAUSA-N -1 0 351.449 3.007 50 10 FGCARM Cc1ccc(-n2[n-]c3c(ccc4c3C(=O)c3ccccc3C4=O)c2=O)cc1 ZINC000100078632 222234599 /nfs/dbraw/zinc/23/45/99/222234599.db2.gz UPAJQSRUVLSGIP-UHFFFAOYSA-N -1 0 354.365 3.403 50 10 FGCARM COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ncccc1C ZINC000100423613 222244180 /nfs/dbraw/zinc/24/41/80/222244180.db2.gz AVRNUOSMSCRWBS-JXAWBTAJSA-N -1 0 364.405 3.042 50 10 FGCARM COc1cc([C@@H]2CC(c3cccs3)=NN2C(C)=O)c([O-])c([N+](=O)[O-])c1 ZINC000004393223 263332871 /nfs/dbraw/zinc/33/28/71/263332871.db2.gz BXDDFPUDDMZGHY-ZDUSSCGKSA-N -1 0 361.379 3.068 50 10 FGCARM CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000003864954 493858808 /nfs/dbraw/zinc/85/88/08/493858808.db2.gz ALLGVQKYHNEWOC-IBGZPJMESA-N -1 0 365.433 3.295 50 10 FGCARM Cc1ccc([N-]S(=O)(=O)c2c3nsnc3ccc2C)c([N+](=O)[O-])c1 ZINC000004289718 493871517 /nfs/dbraw/zinc/87/15/17/493871517.db2.gz WIIBCWYULSUXKL-UHFFFAOYSA-N -1 0 364.408 3.017 50 10 FGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(Cl)s1 ZINC000004723780 493889866 /nfs/dbraw/zinc/88/98/66/493889866.db2.gz IMSFLXLMZIMCOW-XFFZJAGNSA-N -1 0 366.826 3.372 50 10 FGCARM Cc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000004819369 493893936 /nfs/dbraw/zinc/89/39/36/493893936.db2.gz GXGLBDPVSQCXNT-XNTDXEJSSA-N -1 0 351.318 3.410 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)cc1C ZINC000006199554 493953922 /nfs/dbraw/zinc/95/39/22/493953922.db2.gz RFWHKNDDAKMOOV-AQTBWJFISA-N -1 0 367.449 3.250 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/C=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000033339446 494059304 /nfs/dbraw/zinc/05/93/04/494059304.db2.gz ZVPZZPNUJOTKPN-AQDNJRFQSA-N -1 0 363.373 3.229 50 10 FGCARM COc1ccc(-n2[n-]c(C)c(C=Nc3ccccc3[N+](=O)[O-])c2=O)cc1 ZINC000101112624 570816517 /nfs/dbraw/zinc/81/65/17/570816517.db2.gz GHFYHSSCLZORAP-RVDMUPIBSA-N -1 0 352.350 3.322 50 10 FGCARM CCN(CC)c1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000001184609 219386432 /nfs/dbraw/zinc/38/64/32/219386432.db2.gz GGDINTSNJLMZOH-SDNWHVSQSA-N -1 0 364.492 3.209 50 10 FGCARM Cc1ccc(C)n1-c1ccsc1-c1cc2ncc(C(=O)[O-])c(N)n2n1 ZINC000004085538 219540239 /nfs/dbraw/zinc/54/02/39/219540239.db2.gz DFNIBTYTEKPVFC-UHFFFAOYSA-N -1 0 353.407 3.146 50 10 FGCARM CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000013343656 220064534 /nfs/dbraw/zinc/06/45/34/220064534.db2.gz YMROUWWXJZVOEG-LCYFTJDESA-N -1 0 351.449 3.151 50 10 FGCARM Cc1cc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1 ZINC000013350355 220064632 /nfs/dbraw/zinc/06/46/32/220064632.db2.gz AXFDIPYNEJVVIV-DHDCSXOGSA-N -1 0 372.471 3.380 50 10 FGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000013404300 220067395 /nfs/dbraw/zinc/06/73/95/220067395.db2.gz QPAPQRFSPBUJAU-DYGKOUCMSA-N -1 0 358.401 3.374 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000017028441 220200419 /nfs/dbraw/zinc/20/04/19/220200419.db2.gz QQHCHEMEOBPCQB-MHWRWJLKSA-N -1 0 366.373 3.206 50 10 FGCARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@@H]2c1ccc(O)c(O)c1 ZINC000061718138 221134564 /nfs/dbraw/zinc/13/45/64/221134564.db2.gz HPDOZENAJFPRPJ-CYBMUJFWSA-N -1 0 364.357 3.061 50 10 FGCARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000068541915 136137742 /nfs/dbraw/zinc/13/77/42/136137742.db2.gz KRHBBJKZKLMXHS-ZDUSSCGKSA-N -1 0 360.841 3.373 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000002486387 493810348 /nfs/dbraw/zinc/81/03/48/493810348.db2.gz NUUBFQMTRMAPEL-GHMZBOCLSA-N -1 0 363.435 3.019 50 10 FGCARM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)cc2)C(=O)[N-]C1=S ZINC000004689510 493887496 /nfs/dbraw/zinc/88/74/96/493887496.db2.gz MDPCPCMSMQDRRB-UKTHLTGXSA-N -1 0 372.833 3.185 50 10 FGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005030501 493908815 /nfs/dbraw/zinc/90/88/15/493908815.db2.gz HCQKRFOWSSSAFW-RAXLEYEMSA-N -1 0 351.449 3.238 50 10 FGCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005857625 493944296 /nfs/dbraw/zinc/94/42/96/493944296.db2.gz NEKSCRPLGMYFGM-SSUFTNFISA-N -1 0 356.428 3.109 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000006302245 493958365 /nfs/dbraw/zinc/95/83/65/493958365.db2.gz FQJCNSNHYMHQSQ-GDNBJRDFSA-N -1 0 355.781 3.227 50 10 FGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(F)c1 ZINC000008513147 494095111 /nfs/dbraw/zinc/09/51/11/494095111.db2.gz HQKARJVZDDHEOF-FOWTUZBSSA-N -1 0 357.385 3.090 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3ccccc3)C2=O)cc1C ZINC000009358009 494121692 /nfs/dbraw/zinc/12/16/92/494121692.db2.gz VXUOAQAHVIYFSJ-WJDWOHSUSA-N -1 0 350.378 3.227 50 10 FGCARM C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000012377922 494228127 /nfs/dbraw/zinc/22/81/27/494228127.db2.gz OPJMPDNYXRIESN-AHEVQNHNSA-N -1 0 361.444 3.070 50 10 FGCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1 ZINC000017028106 494406029 /nfs/dbraw/zinc/40/60/29/494406029.db2.gz VQDVCBJFBHWGKY-XNTDXEJSSA-N -1 0 370.336 3.350 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1coc2ccccc2c1=O ZINC000020332190 494471119 /nfs/dbraw/zinc/47/11/19/494471119.db2.gz TVYQVRFFMXCNOC-GDNBJRDFSA-N -1 0 360.325 3.300 50 10 FGCARM O=c1oc2c(ccc([O-])c2CN2CCOCC2)cc1-c1ccc(F)cc1 ZINC000020418935 494472789 /nfs/dbraw/zinc/47/27/89/494472789.db2.gz FZAQDNHJRXPPCD-UHFFFAOYSA-N -1 0 355.365 3.137 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1OC ZINC000021670038 494503496 /nfs/dbraw/zinc/50/34/96/494503496.db2.gz XUXCCKKJHPZNBH-UVTDQMKNSA-N -1 0 352.346 3.211 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(F)c1 ZINC000108154785 494653765 /nfs/dbraw/zinc/65/37/65/494653765.db2.gz OOHCPABTCKKSDE-XFXZXTDPSA-N -1 0 359.744 3.058 50 10 FGCARM CCOc1ccc(N=Nc2c(=O)[n-]n3c2[nH]c2c(c3=O)CCCC2)cc1 ZINC000334159060 497883565 /nfs/dbraw/zinc/88/35/65/497883565.db2.gz TUVGGOUTPMPAFJ-UHFFFAOYSA-N -1 0 353.382 3.421 50 10 FGCARM C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)o1 ZINC000253419635 525502575 /nfs/dbraw/zinc/50/25/75/525502575.db2.gz WBCGSUQVUUULPM-QMJOALNRSA-N -1 0 351.449 3.469 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1C ZINC000001186462 536597417 /nfs/dbraw/zinc/59/74/17/536597417.db2.gz OWBZORPCZXQIHU-GZTJUZNOSA-N -1 0 364.401 3.287 50 10 FGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])s2)C1=O ZINC000001192565 695536095 /nfs/dbraw/zinc/53/60/95/695536095.db2.gz BLJDWDQURUQETG-DHZHZOJOSA-N -1 0 357.347 3.471 50 10 FGCARM CCOC(=O)c1c(NC(=O)CC2(C(=O)[O-])CCCC2)sc2c1CCC2 ZINC000013255673 220062692 /nfs/dbraw/zinc/06/26/92/220062692.db2.gz YDVONANURUFSHU-UHFFFAOYSA-N -1 0 365.451 3.387 50 10 FGCARM CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000013575190 220075633 /nfs/dbraw/zinc/07/56/33/220075633.db2.gz VXLGTXVECRRLKZ-GDNBJRDFSA-N -1 0 372.808 3.209 50 10 FGCARM CC(C)Oc1ccccc1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000021548670 220359696 /nfs/dbraw/zinc/35/96/96/220359696.db2.gz ZQIVMUSDEDBPKG-LCYFTJDESA-N -1 0 351.449 3.150 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000001181950 132380910 /nfs/dbraw/zinc/38/09/10/132380910.db2.gz GNQYJQHFXMPDHB-YRNVUSSQSA-N -1 0 361.697 3.348 50 10 FGCARM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000033921834 494064604 /nfs/dbraw/zinc/06/46/04/494064604.db2.gz MIDBIFHKQBAFHK-XNTDXEJSSA-N -1 0 357.207 3.219 50 10 FGCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000020841903 494481023 /nfs/dbraw/zinc/48/10/23/494481023.db2.gz HJOPHTNMKGCBKQ-BOPFTXTBSA-N -1 0 359.385 3.451 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1C ZINC000001214933 536598179 /nfs/dbraw/zinc/59/81/79/536598179.db2.gz FDQXSPUBWXTSTJ-XNTDXEJSSA-N -1 0 370.792 3.323 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002916188 536598395 /nfs/dbraw/zinc/59/83/95/536598395.db2.gz FNVRYKWVDAESJJ-XNTDXEJSSA-N -1 0 372.833 3.180 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000004471324 695543426 /nfs/dbraw/zinc/54/34/26/695543426.db2.gz WHWMSLCESSXLAU-YFHOEESVSA-N -1 0 365.172 3.345 50 10 FGCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1 ZINC000015905875 220171876 /nfs/dbraw/zinc/17/18/76/220171876.db2.gz FPSZYKXIAYVJEA-ZROIWOOFSA-N -1 0 357.412 3.496 50 10 FGCARM C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)ccc2O1 ZINC000016810408 220194532 /nfs/dbraw/zinc/19/45/32/220194532.db2.gz ZLALLAXUWUMLAU-AHEVQNHNSA-N -1 0 363.460 3.076 50 10 FGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)ccc1C ZINC000001162790 132380558 /nfs/dbraw/zinc/38/05/58/132380558.db2.gz RYRNENAZRBDFFL-MHWRWJLKSA-N -1 0 366.442 3.143 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000002783315 132384099 /nfs/dbraw/zinc/38/40/99/132384099.db2.gz CBTFHPQKIMQSHK-YRNVUSSQSA-N -1 0 350.758 3.207 50 10 FGCARM O=C([N-]N1C(=O)/C(=C\c2cccs2)SC1=S)c1cccs1 ZINC000003766104 493858191 /nfs/dbraw/zinc/85/81/91/493858191.db2.gz BWPFIGOZMMJKRS-JXMROGBWSA-N -1 0 352.487 3.356 50 10 FGCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)ccc1O ZINC000004356716 493874291 /nfs/dbraw/zinc/87/42/91/493874291.db2.gz METCIJBMPXLIQG-AUWJEWJLSA-N -1 0 373.411 3.202 50 10 FGCARM Cn1cccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000005164150 493916726 /nfs/dbraw/zinc/91/67/26/493916726.db2.gz PRATVMXZUPWLSX-ZVHGMHCTSA-N -1 0 358.444 3.052 50 10 FGCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000005392717 493928048 /nfs/dbraw/zinc/92/80/48/493928048.db2.gz GDOXLNIPMMKLNO-NSHDSACASA-N -1 0 364.492 3.081 50 10 FGCARM O=C([O-])/C=C/c1cnc(/C=C\c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000606445927 507406127 /nfs/dbraw/zinc/40/61/27/507406127.db2.gz AQCKMNHWJNHMMB-JGDUWUCISA-N -1 0 360.410 3.387 50 10 FGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000000693135 519836801 /nfs/dbraw/zinc/83/68/01/519836801.db2.gz LGUHQIXMQAYHIN-GZTJUZNOSA-N -1 0 350.374 3.182 50 10 FGCARM CC[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000000942764 203965446 /nfs/dbraw/zinc/96/54/46/203965446.db2.gz NVOQDHCNIATUHH-MRXNPFEDSA-N -1 0 353.374 3.118 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@H](C)CC ZINC000002137304 204027163 /nfs/dbraw/zinc/02/71/63/204027163.db2.gz DGCSYLIWTOPBBP-XIKOKIGWSA-N -1 0 361.438 3.430 50 10 FGCARM CCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000003634122 204109048 /nfs/dbraw/zinc/10/90/48/204109048.db2.gz JMNMDKNQWLSFEX-UHFFFAOYSA-N -1 0 353.440 3.387 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1C ZINC000004649329 204151623 /nfs/dbraw/zinc/15/16/23/204151623.db2.gz HPEUQBRLCCWGOD-ZSOIEALJSA-N -1 0 371.780 3.326 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1Cl ZINC000004471028 204139344 /nfs/dbraw/zinc/13/93/44/204139344.db2.gz GPKWWSRNHZNDTE-ZSOIEALJSA-N -1 0 358.756 3.454 50 10 FGCARM Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000005530525 204213852 /nfs/dbraw/zinc/21/38/52/204213852.db2.gz DHWGTJRXFFWLQH-OQLLNIDSSA-N -1 0 356.403 3.458 50 10 FGCARM CC(C)OC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000005727292 204223407 /nfs/dbraw/zinc/22/34/07/204223407.db2.gz DMFBRLQAGUGLKY-UHFFFAOYSA-N -1 0 353.440 3.386 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2OC2CCCC2)SC1=S ZINC000096291614 205873519 /nfs/dbraw/zinc/87/35/19/205873519.db2.gz ZYXXYERMYZZFNQ-NTEUORMPSA-N -1 0 363.460 3.294 50 10 FGCARM CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)N(CC)C1=S ZINC000001154731 206145300 /nfs/dbraw/zinc/14/53/00/206145300.db2.gz ZKYQMMPDUISYSM-RVDMUPIBSA-N -1 0 370.430 3.455 50 10 FGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/C=C\c1ccco1 ZINC000004471583 206177254 /nfs/dbraw/zinc/17/72/54/206177254.db2.gz WJGNCBWDZIHBJH-VMRLWCNDSA-N -1 0 359.179 3.060 50 10 FGCARM O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccc([N+](=O)[O-])o3)c-2cc1O ZINC000004905140 206185116 /nfs/dbraw/zinc/18/51/16/206185116.db2.gz RYDVPKWCZLLHER-UHFFFAOYSA-N -1 0 355.258 3.183 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000004613965 206238769 /nfs/dbraw/zinc/23/87/69/206238769.db2.gz VRJCVLURZYXJNO-QWRGUYRKSA-N -1 0 365.451 3.243 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000002288298 132383028 /nfs/dbraw/zinc/38/30/28/132383028.db2.gz LARUQYDQOXMOGQ-OQLLNIDSSA-N -1 0 365.776 3.488 50 10 FGCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000001023045 493782160 /nfs/dbraw/zinc/78/21/60/493782160.db2.gz RTEKNBYTRIEQPO-ZROIWOOFSA-N -1 0 361.170 3.050 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc2c(c1)OCO2 ZINC000001245699 493791265 /nfs/dbraw/zinc/79/12/65/493791265.db2.gz BGHDCRMPPHKQKQ-VGOFMYFVSA-N -1 0 368.320 3.057 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br ZINC000014011136 494299784 /nfs/dbraw/zinc/29/97/84/494299784.db2.gz NJBUPUIATJXYRC-RAXLEYEMSA-N -1 0 371.190 3.116 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Br)cc1 ZINC000017044270 494405849 /nfs/dbraw/zinc/40/58/49/494405849.db2.gz HASKGQOXFQNTOL-GXDHUFHOSA-N -1 0 371.190 3.320 50 10 FGCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000017075668 494407450 /nfs/dbraw/zinc/40/74/50/494407450.db2.gz DXXQWHGIQHEWGY-MDWZMJQESA-N -1 0 368.784 3.228 50 10 FGCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000019772870 494460008 /nfs/dbraw/zinc/46/00/08/494460008.db2.gz FUPNPRPUQYWQEA-BOPFTXTBSA-N -1 0 359.385 3.451 50 10 FGCARM COc1cc([C@H]2CC(c3cccs3)=NN2C(C)=O)c([O-])c([N+](=O)[O-])c1 ZINC000004393224 204137251 /nfs/dbraw/zinc/13/72/51/204137251.db2.gz BXDDFPUDDMZGHY-CYBMUJFWSA-N -1 0 361.379 3.068 50 10 FGCARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc(N3CCCCCC3)cc2)C1=O ZINC000009111613 204354821 /nfs/dbraw/zinc/35/48/21/204354821.db2.gz WJKGCZDFUYJCLY-OBGWFSINSA-N -1 0 369.465 3.329 50 10 FGCARM CCOc1ccc(/C=C2/SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1 ZINC000027530426 204863689 /nfs/dbraw/zinc/86/36/89/204863689.db2.gz SNMPVKBQCAFOTE-AUWXEVLLSA-N -1 0 351.449 3.150 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000002672400 206156063 /nfs/dbraw/zinc/15/60/63/206156063.db2.gz YWUOYVAXETUXMD-QPEQYQDCSA-N -1 0 363.391 3.372 50 10 FGCARM O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(O)cc1 ZINC000013787504 206306170 /nfs/dbraw/zinc/30/61/70/206306170.db2.gz DPUJGNDOGYCBII-NQDFZQDQSA-N -1 0 372.427 3.088 50 10 FGCARM CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000005727495 132258404 /nfs/dbraw/zinc/25/84/04/132258404.db2.gz LYMPCSNUCUPYOZ-BOPFTXTBSA-N -1 0 366.442 3.347 50 10 FGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000000771794 132378325 /nfs/dbraw/zinc/37/83/25/132378325.db2.gz QWNLOMKWRVGXJK-NTEUORMPSA-N -1 0 360.797 3.310 50 10 FGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000103020634 222319414 /nfs/dbraw/zinc/31/94/14/222319414.db2.gz JXLVSBCVKUJJGM-QEEYODRMSA-N -1 0 363.417 3.113 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000001243369 493790381 /nfs/dbraw/zinc/79/03/81/493790381.db2.gz IRGZLCWXCFXCLU-MHWRWJLKSA-N -1 0 354.337 3.337 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3Cl)C2=O)c1 ZINC000005648162 493938065 /nfs/dbraw/zinc/93/80/65/493938065.db2.gz SMSOHQYHOWVPPW-JLHYYAGUSA-N -1 0 355.781 3.227 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(CSC(F)F)o2)SC1=S ZINC000043079813 494263202 /nfs/dbraw/zinc/26/32/02/494263202.db2.gz NPFDHQCMVQLPSG-FPYGCLRLSA-N -1 0 365.404 3.021 50 10 FGCARM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000013801243 494296570 /nfs/dbraw/zinc/29/65/70/494296570.db2.gz FSBYPVHAUHIHDK-NVNXTCNLSA-N -1 0 356.403 3.425 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000016662453 494398868 /nfs/dbraw/zinc/39/88/68/494398868.db2.gz VXDGUNMXLWWKOI-XFXZXTDPSA-N -1 0 359.744 3.058 50 10 FGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000019720530 494458391 /nfs/dbraw/zinc/45/83/91/494458391.db2.gz FSUULLGJESJFBJ-QQDISNATSA-N -1 0 369.764 3.266 50 10 FGCARM C[C@@H]1CCC[C@H](NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)[C@H]1C ZINC000245247793 497377800 /nfs/dbraw/zinc/37/78/00/497377800.db2.gz XJMUZMBWWFXJKP-YNCIDNRCSA-N -1 0 355.438 3.404 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000334163159 497884423 /nfs/dbraw/zinc/88/44/23/497884423.db2.gz MWBBTRMWICDTBR-JYRVWZFOSA-N -1 0 357.753 3.018 50 10 FGCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1C ZINC000000654342 526089810 /nfs/dbraw/zinc/08/98/10/526089810.db2.gz QJQQMTPOYIGMLI-NVNXTCNLSA-N -1 0 373.865 3.127 50 10 FGCARM Cc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000001151581 219381042 /nfs/dbraw/zinc/38/10/42/219381042.db2.gz FLQWJLYXHSNASZ-RIYZIHGNSA-N -1 0 357.753 3.018 50 10 FGCARM CCCC(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002470702 204041551 /nfs/dbraw/zinc/04/15/51/204041551.db2.gz LJHWCRCDVDMSTC-MRXNPFEDSA-N -1 0 355.350 3.447 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001771640 204018812 /nfs/dbraw/zinc/01/88/12/204018812.db2.gz PMSGPLROFRAQCY-HQQGHWSLSA-N -1 0 371.480 3.233 50 10 FGCARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004124200 204123170 /nfs/dbraw/zinc/12/31/70/204123170.db2.gz FOCPDNCUJACZMK-SNVBAGLBSA-N -1 0 367.467 3.489 50 10 FGCARM CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1O ZINC000004646573 204151888 /nfs/dbraw/zinc/15/18/88/204151888.db2.gz CDXMJJGNLOEUFU-CXUHLZMHSA-N -1 0 366.373 3.295 50 10 FGCARM COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000100296544 206223128 /nfs/dbraw/zinc/22/31/28/206223128.db2.gz ISUJVUFRWOMWGG-RIYZIHGNSA-N -1 0 353.334 3.115 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000100369311 132232714 /nfs/dbraw/zinc/23/27/14/132232714.db2.gz ZAPPTKCNVSFYAP-BOPFTXTBSA-N -1 0 363.417 3.499 50 10 FGCARM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000001175702 132380701 /nfs/dbraw/zinc/38/07/01/132380701.db2.gz QNNYCICXXFUTTR-MDWZMJQESA-N -1 0 370.792 3.329 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000002826205 132384003 /nfs/dbraw/zinc/38/40/03/132384003.db2.gz GQKUGCDZRKMXEL-GDNBJRDFSA-N -1 0 355.781 3.227 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCCN3Cc2ccccc2)C(=O)N1 ZINC000009009979 132844395 /nfs/dbraw/zinc/84/43/95/132844395.db2.gz DQJLYDLJAYKABU-UHFFFAOYSA-N -1 0 361.401 3.229 50 10 FGCARM COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1[O-] ZINC000012382255 494229085 /nfs/dbraw/zinc/22/90/85/494229085.db2.gz TZJQXSBVRQYVBW-XGICHPGQSA-N -1 0 368.436 3.166 50 10 FGCARM CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)ccc1O ZINC000013914693 494297967 /nfs/dbraw/zinc/29/79/67/494297967.db2.gz CDXMJJGNLOEUFU-SXGWCWSVSA-N -1 0 366.373 3.295 50 10 FGCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100044346 495062886 /nfs/dbraw/zinc/06/28/86/495062886.db2.gz BDDPTXUJAHRQKM-YBEGLDIGSA-N -1 0 367.321 3.222 50 10 FGCARM COc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000001786517 204020185 /nfs/dbraw/zinc/02/01/85/204020185.db2.gz RLXXJLGITYTWFS-LLBKUYECSA-N -1 0 351.449 3.006 50 10 FGCARM Cc1c2c(oc1S(=O)(=O)[O-])-c1ccc3c(c1C(=O)C2=O)CCCC3(C)C ZINC000006069214 204236035 /nfs/dbraw/zinc/23/60/35/204236035.db2.gz UJCACMLMPLLRGW-UHFFFAOYSA-N -1 0 374.414 3.495 50 10 biogenic,in-vitro FGCARM CN(C)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000008727660 204341380 /nfs/dbraw/zinc/34/13/80/204341380.db2.gz ALDUZFVXEIJHAN-SDNWHVSQSA-N -1 0 361.401 3.105 50 10 FGCARM O=C([O-])COc1ccccc1C=C1SC(Nc2ccc(F)cc2)=NC1=O ZINC000006097434 206200295 /nfs/dbraw/zinc/20/02/95/206200295.db2.gz TWDSWOZTOWLZGL-OQLLNIDSSA-N -1 0 372.377 3.372 50 10 FGCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000169677722 206254846 /nfs/dbraw/zinc/25/48/46/206254846.db2.gz PPEKDYIIMWJSGI-GQIGUUNPSA-N -1 0 366.392 3.467 50 10 FGCARM CCCCCCNC=C1C(=O)[N-]C(=S)N(c2ccc(C)c(C)c2)C1=O ZINC000101054542 132233514 /nfs/dbraw/zinc/23/35/14/132233514.db2.gz OGOVEPVNAPUPLF-VBKFSLOCSA-N -1 0 359.495 3.105 50 10 FGCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C/c1ccc[nH]1 ZINC000105966164 132239482 /nfs/dbraw/zinc/23/94/82/132239482.db2.gz MMBUJTAZCYJKJL-KPKJPENVSA-N -1 0 366.229 3.153 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=CNc1ccccc1Cl ZINC000002892915 132384234 /nfs/dbraw/zinc/38/42/34/132384234.db2.gz CJSZTINJBMYNRW-KTKRTIGZSA-N -1 0 359.744 3.058 50 10 FGCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000001208561 493789047 /nfs/dbraw/zinc/78/90/47/493789047.db2.gz GYWMTGQVPWQEKM-ZSOIEALJSA-N -1 0 357.412 3.496 50 10 FGCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000033336142 494059054 /nfs/dbraw/zinc/05/90/54/494059054.db2.gz QLLYWUHDCGFFON-PTNGSMBKSA-N -1 0 366.398 3.145 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000009164734 494117199 /nfs/dbraw/zinc/11/71/99/494117199.db2.gz PXENVVPIVFUIOI-NTUHNPAUSA-N -1 0 374.755 3.154 50 10 FGCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)c1O ZINC000013942504 494297879 /nfs/dbraw/zinc/29/78/79/494297879.db2.gz DXUZMWJXBIHJFD-NVNXTCNLSA-N -1 0 372.808 3.132 50 10 FGCARM Cc1c2ccc([O-])c(CN3CCOCC3)c2oc(=O)c1-c1ccccc1 ZINC000020605048 494478284 /nfs/dbraw/zinc/47/82/84/494478284.db2.gz HDYKDBOCZYSSPJ-UHFFFAOYSA-N -1 0 351.402 3.306 50 10 FGCARM COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000101114410 570816647 /nfs/dbraw/zinc/81/66/47/570816647.db2.gz FCCKHRAECDCVLZ-XNTDXEJSSA-N -1 0 370.340 3.461 50 10 FGCARM CC(C)COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000059254854 203807672 /nfs/dbraw/zinc/80/76/72/203807672.db2.gz XUGXKYIUCZCTHI-QPEQYQDCSA-N -1 0 351.449 3.007 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000002283070 204032008 /nfs/dbraw/zinc/03/20/08/204032008.db2.gz AFTBRTIJSLPYAY-AQHRCUNFSA-N -1 0 350.349 3.044 50 10 FGCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccccc3O)SC2=S)c1 ZINC000003292752 204089215 /nfs/dbraw/zinc/08/92/15/204089215.db2.gz GRZLHGXVUKGZAV-NTEUORMPSA-N -1 0 357.412 3.496 50 10 FGCARM Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)o1 ZINC000004356954 204135443 /nfs/dbraw/zinc/13/54/43/204135443.db2.gz XGFCWODMRSKYBM-NTUHNPAUSA-N -1 0 361.400 3.398 50 10 FGCARM COc1ccccc1N[C@@H]1SC(=O)N(Cc2cccc(C(=O)[O-])c2)C1=O ZINC000004450709 204139783 /nfs/dbraw/zinc/13/97/83/204139783.db2.gz CVIBETWEMRNULU-OAHLLOKOSA-N -1 0 372.402 3.027 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(Cl)c(F)c2)C(=O)N1 ZINC000005771150 204224383 /nfs/dbraw/zinc/22/43/83/204224383.db2.gz CDZBAWXTXWHICL-UHFFFAOYSA-N -1 0 360.728 3.021 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc3ccccc3n2)SC1=S ZINC000006660647 204259149 /nfs/dbraw/zinc/25/91/49/204259149.db2.gz AOCARULCBDODTJ-UVTDQMKNSA-N -1 0 358.444 3.301 50 10 FGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccco1 ZINC000019851661 204710602 /nfs/dbraw/zinc/71/06/02/204710602.db2.gz WJGNCBWDZIHBJH-NQDFZQDQSA-N -1 0 359.179 3.060 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000100106643 132232496 /nfs/dbraw/zinc/23/24/96/132232496.db2.gz JEQJDDFIAFJQER-UVTDQMKNSA-N -1 0 355.781 3.227 50 10 FGCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)[N-]C2=S)cc1 ZINC000000759561 132378413 /nfs/dbraw/zinc/37/84/13/132378413.db2.gz IOQPTPXNZJAKMN-SFQUDFHCSA-N -1 0 366.442 3.225 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccs1 ZINC000001170405 132380666 /nfs/dbraw/zinc/38/06/66/132380666.db2.gz IDBKNYXUOQOMBL-XYOKQWHBSA-N -1 0 366.320 3.433 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000002909370 132384350 /nfs/dbraw/zinc/38/43/50/132384350.db2.gz JEQJDDFIAFJQER-GXDHUFHOSA-N -1 0 355.781 3.227 50 10 FGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c(C)c1 ZINC000018154243 132885936 /nfs/dbraw/zinc/88/59/36/132885936.db2.gz KQKTXESYNPOXEO-MHWRWJLKSA-N -1 0 367.380 3.330 50 10 FGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002226083 493803483 /nfs/dbraw/zinc/80/34/83/493803483.db2.gz ZDMIDMZFBBFZMA-LCFDYFRESA-N -1 0 361.448 3.017 50 10 FGCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O ZINC000013615677 494290374 /nfs/dbraw/zinc/29/03/74/494290374.db2.gz ZFEXINNPRILZBV-YBEGLDIGSA-N -1 0 356.809 3.427 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000017028175 494406122 /nfs/dbraw/zinc/40/61/22/494406122.db2.gz WUNYBRVRLVWSGI-SFQUDFHCSA-N -1 0 368.364 3.379 50 10 FGCARM CCCCCC[C@@H](C)NC=C1C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000002595734 535000723 /nfs/dbraw/zinc/00/07/23/535000723.db2.gz PFPPIYJPJKWPHV-OPCAMPFDSA-N -1 0 361.417 3.241 50 10 FGCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)cc1C ZINC000002643504 204049558 /nfs/dbraw/zinc/04/95/58/204049558.db2.gz FRZGWCXZZCVODI-UHFFFAOYSA-N -1 0 364.492 3.143 50 10 FGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)cc1 ZINC000004341262 204133705 /nfs/dbraw/zinc/13/37/05/204133705.db2.gz VCILSOIMBYJYTF-NTEUORMPSA-N -1 0 357.412 3.496 50 10 FGCARM O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000004542426 204145298 /nfs/dbraw/zinc/14/52/98/204145298.db2.gz JFVCBYNCBUNXMX-UHFFFAOYSA-N -1 0 371.348 3.413 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(Sc3cccc4ccccc43)o2)C(=O)N1 ZINC000005025751 204186414 /nfs/dbraw/zinc/18/64/14/204186414.db2.gz WCPBWGZIDYDVDN-UHFFFAOYSA-N -1 0 364.382 3.333 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC ZINC000002137301 206152848 /nfs/dbraw/zinc/15/28/48/206152848.db2.gz DGCSYLIWTOPBBP-SGTLLEGYSA-N -1 0 361.438 3.430 50 10 FGCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)ccc1O ZINC000004356714 206177047 /nfs/dbraw/zinc/17/70/47/206177047.db2.gz VCMWPBAOVYUENA-AUWJEWJLSA-N -1 0 373.411 3.202 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000004613967 206238631 /nfs/dbraw/zinc/23/86/31/206238631.db2.gz VRJCVLURZYXJNO-GHMZBOCLSA-N -1 0 365.451 3.243 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000001214485 132381092 /nfs/dbraw/zinc/38/10/92/132381092.db2.gz BKGRDMNSHKXTPU-LICLKQGHSA-N -1 0 359.385 3.451 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1 ZINC000001206958 132381107 /nfs/dbraw/zinc/38/11/07/132381107.db2.gz VYYAFQIMXQHFML-LDADJPATSA-N -1 0 363.417 3.036 50 10 FGCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000004305519 132386643 /nfs/dbraw/zinc/38/66/43/132386643.db2.gz FMDCADFKVBMBAD-MHWRWJLKSA-N -1 0 363.348 3.282 50 10 FGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002226089 493803536 /nfs/dbraw/zinc/80/35/36/493803536.db2.gz ZDMIDMZFBBFZMA-HQQGHWSLSA-N -1 0 361.448 3.017 50 10 FGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813987 493981780 /nfs/dbraw/zinc/98/17/80/493981780.db2.gz QKGXBVLMXASWAU-XFXZXTDPSA-N -1 0 366.377 3.374 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1OC ZINC000015010451 494333024 /nfs/dbraw/zinc/33/30/24/494333024.db2.gz NCZMQVYSALFPRC-GXDHUFHOSA-N -1 0 368.414 3.375 50 10 FGCARM CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000026771511 494837805 /nfs/dbraw/zinc/83/78/05/494837805.db2.gz BKZFZSRSNMYIDX-JLHYYAGUSA-N -1 0 351.449 3.151 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001829363 204021435 /nfs/dbraw/zinc/02/14/35/204021435.db2.gz PCXNIDMYQSYNFU-LCFDYFRESA-N -1 0 371.480 3.233 50 10 FGCARM CCC(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000002921269 204067985 /nfs/dbraw/zinc/06/79/85/204067985.db2.gz FSEGXKIBKVPCRY-KRWDZBQOSA-N -1 0 351.362 3.464 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1Cl ZINC000004783821 204163390 /nfs/dbraw/zinc/16/33/90/204163390.db2.gz WTMOHMGNLGJZOQ-UKTHLTGXSA-N -1 0 362.813 3.143 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3Cl)s2)C(=O)N1 ZINC000005554966 204215064 /nfs/dbraw/zinc/21/50/64/204215064.db2.gz FLRFVDCETUISIL-UHFFFAOYSA-N -1 0 367.213 3.471 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000005200433 204197331 /nfs/dbraw/zinc/19/73/31/204197331.db2.gz ABPQACATGYGFCJ-DHDCSXOGSA-N -1 0 362.307 3.175 50 10 FGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1 ZINC000009263179 204361396 /nfs/dbraw/zinc/36/13/96/204361396.db2.gz HNINHEABYGLJHI-BOPFTXTBSA-N -1 0 350.374 3.182 50 10 FGCARM CC(C)C[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002090526 206153127 /nfs/dbraw/zinc/15/31/27/206153127.db2.gz AZGRIGAFRKZOIP-INIZCTEOSA-N -1 0 355.390 3.241 50 10 FGCARM Cn1cccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000005164151 206190146 /nfs/dbraw/zinc/19/01/46/206190146.db2.gz PRATVMXZUPWLSX-QLKUMGTLSA-N -1 0 358.444 3.052 50 10 FGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(F)c1 ZINC000101066714 222261067 /nfs/dbraw/zinc/26/10/67/222261067.db2.gz HQKARJVZDDHEOF-VBKFSLOCSA-N -1 0 357.385 3.090 50 10 FGCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N(C)C2=O)o1 ZINC000001201844 493789671 /nfs/dbraw/zinc/78/96/71/493789671.db2.gz WPLBGMWTORBJLF-MDWZMJQESA-N -1 0 355.306 3.095 50 10 FGCARM O=C([O-])c1cccc(NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2)c1 ZINC000020110093 494467426 /nfs/dbraw/zinc/46/74/26/494467426.db2.gz HSRWAWNXXYDESJ-VIZOYTHASA-N -1 0 368.370 3.196 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)c1 ZINC000001180377 536597144 /nfs/dbraw/zinc/59/71/44/536597144.db2.gz MHTSRLKGFKVQSI-WOJGMQOQSA-N -1 0 364.401 3.287 50 10 FGCARM O=C1NC(=S)S/C1=C/c1cc(Cl)cc(Br)c1[O-] ZINC000003027610 204074560 /nfs/dbraw/zinc/07/45/60/204074560.db2.gz PCXDHHTZCKUWJH-FARCUNLSSA-N -1 0 350.646 3.297 50 10 FGCARM CC(C)CCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000003340416 204092916 /nfs/dbraw/zinc/09/29/16/204092916.db2.gz XMBDCEYBMOIHBC-NTEUORMPSA-N -1 0 365.476 3.397 50 10 FGCARM COc1cccc(-n2[n-]c3c(ccc4c3C(=O)c3ccccc3C4=O)c2=O)c1 ZINC000004427542 204138464 /nfs/dbraw/zinc/13/84/64/204138464.db2.gz WNYMHMNFIZAPEM-UHFFFAOYSA-N -1 0 370.364 3.103 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000005351136 204204327 /nfs/dbraw/zinc/20/43/27/204204327.db2.gz VHIDFALVVYHCIO-ZROIWOOFSA-N -1 0 361.444 3.071 50 10 FGCARM CN1c2ccccc2C(C)(C)/C1=C\C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000005128031 204192702 /nfs/dbraw/zinc/19/27/02/204192702.db2.gz WOANOBPXYMWGAU-UQNWOCKMSA-N -1 0 374.487 3.127 50 10 FGCARM Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c1 ZINC000006277082 204243846 /nfs/dbraw/zinc/24/38/46/204243846.db2.gz JWESIOVEMXACPW-SFQUDFHCSA-N -1 0 372.384 3.001 50 10 FGCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1O ZINC000004356729 206177419 /nfs/dbraw/zinc/17/74/19/206177419.db2.gz WPDJWPKOLWLIQD-AUWJEWJLSA-N -1 0 373.411 3.202 50 10 FGCARM Cc1ccccc1N1C(=O)C(=Cc2ccc(O)c(O)c2)C(=O)[N-]C1=S ZINC000002350406 132383332 /nfs/dbraw/zinc/38/33/32/132383332.db2.gz MINMIVUNVNNWIP-XYOKQWHBSA-N -1 0 354.387 3.078 50 10 FGCARM CC(C)[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000000942422 493779465 /nfs/dbraw/zinc/77/94/65/493779465.db2.gz YOCIUTZYUSFEOO-LJQANCHMSA-N -1 0 367.401 3.364 50 10 FGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)o1 ZINC000033323421 494058177 /nfs/dbraw/zinc/05/81/77/494058177.db2.gz LCFKJAOKJBLEEX-VBKFSLOCSA-N -1 0 367.405 3.305 50 10 FGCARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000065619716 494221057 /nfs/dbraw/zinc/22/10/57/494221057.db2.gz KRHBBJKZKLMXHS-CYBMUJFWSA-N -1 0 360.841 3.373 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)cc1Cl ZINC000015013092 494333875 /nfs/dbraw/zinc/33/38/75/494333875.db2.gz JGTMHRCMSRKDJE-UTGYAATFSA-N -1 0 356.765 3.464 50 10 FGCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cc2ccccc2[nH]c1=O ZINC000100147415 495063907 /nfs/dbraw/zinc/06/39/07/495063907.db2.gz QHWTXCGSYUIOEL-GZTJUZNOSA-N -1 0 373.368 3.032 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(F)c2)SC1=S ZINC000006096969 209448686 /nfs/dbraw/zinc/44/86/86/209448686.db2.gz PCXNIDMYQSYNFU-SERMCNLOSA-N -1 0 371.480 3.233 50 10 FGCARM CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)N(CC)C1=S ZINC000004803449 207049358 /nfs/dbraw/zinc/04/93/58/207049358.db2.gz ZKYQMMPDUISYSM-PTNGSMBKSA-N -1 0 370.430 3.455 50 10 FGCARM COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)c1 ZINC000005197870 207086060 /nfs/dbraw/zinc/08/60/60/207086060.db2.gz NFAUJLIITSUBOR-BOPFTXTBSA-N -1 0 366.373 3.208 50 10 FGCARM O=C1NC(=S)S/C1=C/c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1[O-] ZINC000005773992 207116021 /nfs/dbraw/zinc/11/60/21/207116021.db2.gz PNGFBRVOYPBKLN-NTEUORMPSA-N -1 0 372.427 3.380 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S ZINC000006660539 207152143 /nfs/dbraw/zinc/15/21/43/207152143.db2.gz KYDQRDQPJVAXBB-UVTDQMKNSA-N -1 0 358.444 3.301 50 10 FGCARM CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000011865496 207326220 /nfs/dbraw/zinc/32/62/20/207326220.db2.gz YTWACHHBSSXCNS-MRXNPFEDSA-N -1 0 355.390 3.385 50 10 FGCARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CCCN3CCC)C1=O ZINC000002413839 132383494 /nfs/dbraw/zinc/38/34/94/132383494.db2.gz HTAYAQZUFYDTRB-SAPNQHFASA-N -1 0 369.465 3.111 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000002837223 132384125 /nfs/dbraw/zinc/38/41/25/132384125.db2.gz ZAPPTKCNVSFYAP-GZTJUZNOSA-N -1 0 363.417 3.499 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000001154043 493787399 /nfs/dbraw/zinc/78/73/99/493787399.db2.gz IVKGIFKEHNLJNF-RIYZIHGNSA-N -1 0 372.808 3.127 50 10 FGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000001786440 493799190 /nfs/dbraw/zinc/79/91/90/493799190.db2.gz LXMBGQDOVMXPCX-KWJWQAOWSA-N -1 0 351.449 3.150 50 10 FGCARM C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)ccc2O1 ZINC000002200401 493803594 /nfs/dbraw/zinc/80/35/94/493803594.db2.gz ZLALLAXUWUMLAU-RSYJBZMQSA-N -1 0 363.460 3.076 50 10 FGCARM COc1ccccc1[C@@H](NC(C)=O)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684848 493886686 /nfs/dbraw/zinc/88/66/86/493886686.db2.gz JSRAGGGSNGZCQL-QGZVFWFLSA-N -1 0 367.361 3.083 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006096985 493951442 /nfs/dbraw/zinc/95/14/42/493951442.db2.gz NGBCUZOLYWHZEJ-YIXGCBLDSA-N -1 0 359.519 3.156 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000015013029 494334186 /nfs/dbraw/zinc/33/41/86/494334186.db2.gz CMRRMSLKAPWIIZ-PDGQHHTCSA-N -1 0 364.401 3.449 50 10 FGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000016667776 494399039 /nfs/dbraw/zinc/39/90/39/494399039.db2.gz LQQCMTBFJWDVOE-SDNWHVSQSA-N -1 0 369.808 3.072 50 10 FGCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001071727 219364275 /nfs/dbraw/zinc/36/42/75/219364275.db2.gz XJXLVDHRPXFZQZ-GZTJUZNOSA-N -1 0 359.385 3.138 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004745932 209425632 /nfs/dbraw/zinc/42/56/32/209425632.db2.gz VODYDPBUAABDHZ-XATLRAQKSA-N -1 0 369.489 3.243 50 10 FGCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)c(C)c1 ZINC000006471447 207142827 /nfs/dbraw/zinc/14/28/27/207142827.db2.gz ZQLBKXIRDYFAKK-UHFFFAOYSA-N -1 0 364.492 3.143 50 10 FGCARM O=Cc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000000686968 493770189 /nfs/dbraw/zinc/77/01/89/493770189.db2.gz LMNWEDHNXYHLOH-NTUHNPAUSA-N -1 0 361.184 3.267 50 10 FGCARM Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000001172845 493788469 /nfs/dbraw/zinc/78/84/69/493788469.db2.gz YJQHINYTKHRISI-DHDCSXOGSA-N -1 0 356.403 3.458 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001786491 493798939 /nfs/dbraw/zinc/79/89/39/493798939.db2.gz VRKITGGQGSFAON-FNWMBBJUSA-N -1 0 367.517 3.403 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@H](C)c3ccccc3)C2=O)cc1C ZINC000006131735 493953483 /nfs/dbraw/zinc/95/34/83/493953483.db2.gz KVTDSPBIYMMROZ-PWDRBQJJSA-N -1 0 363.417 3.121 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(OC)c1 ZINC000009013388 494111527 /nfs/dbraw/zinc/11/15/27/494111527.db2.gz YHMFAMJZLDXMAC-OQLLNIDSSA-N -1 0 370.336 3.350 50 10 FGCARM O=S(=O)([N-]c1ccccc1OC(F)F)c1cccc2nsnc21 ZINC000019077956 494434496 /nfs/dbraw/zinc/43/44/96/494434496.db2.gz LZTSOSVWBIGVFP-UHFFFAOYSA-N -1 0 357.363 3.094 50 10 FGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000021487202 494496948 /nfs/dbraw/zinc/49/69/48/494496948.db2.gz KTYGAQCRLRUJII-WTWVRAIASA-N -1 0 360.460 3.478 50 10 FGCARM O=C([O-])CCC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccccc1O ZINC000080316223 494676097 /nfs/dbraw/zinc/67/60/97/494676097.db2.gz VNSDZQGVSVDOTA-MRXNPFEDSA-N -1 0 356.353 3.074 50 10 FGCARM CCOc1ccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCCC2)cc1 ZINC000334159041 497884389 /nfs/dbraw/zinc/88/43/89/497884389.db2.gz ZJGKYYGJYZCMBY-UHFFFAOYSA-N -1 0 352.398 3.298 50 10 FGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000006007847 207124785 /nfs/dbraw/zinc/12/47/85/207124785.db2.gz RHSYBTCGCHMKMY-VSUWBIFXSA-N -1 0 372.265 3.123 50 10 FGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1F ZINC000002892740 132384305 /nfs/dbraw/zinc/38/43/05/132384305.db2.gz XFOZDUUCNGWUNS-XFXZXTDPSA-N -1 0 359.744 3.058 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1Cl ZINC000001796370 493799396 /nfs/dbraw/zinc/79/93/96/493799396.db2.gz RXWVAYAOMBVHCZ-GXDHUFHOSA-N -1 0 361.829 3.355 50 10 FGCARM NC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1 ZINC000002884492 493823987 /nfs/dbraw/zinc/82/39/87/493823987.db2.gz DVEWQLDDFLVLMR-UHFFFAOYSA-N -1 0 352.365 3.400 50 10 FGCARM CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(=O)[N-]C2=S)cc1 ZINC000004723861 493889694 /nfs/dbraw/zinc/88/96/94/493889694.db2.gz IOQPTPXNZJAKMN-ATVHPVEESA-N -1 0 366.442 3.225 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000013765756 494295655 /nfs/dbraw/zinc/29/56/55/494295655.db2.gz VYFLSDOIBJEZJP-FLIBITNWSA-N -1 0 359.388 3.328 50 10 FGCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000015724081 494366098 /nfs/dbraw/zinc/36/60/98/494366098.db2.gz RXVVJFCPFXYUAD-SXGWCWSVSA-N -1 0 351.318 3.099 50 10 FGCARM CCOc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000016156529 494380477 /nfs/dbraw/zinc/38/04/77/494380477.db2.gz CTSDIUSBFIYCKR-OQLLNIDSSA-N -1 0 372.808 3.209 50 10 FGCARM Cn1cccc1/C=C1/SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000027229466 494857817 /nfs/dbraw/zinc/85/78/17/494857817.db2.gz PRATVMXZUPWLSX-JWAFFJSPSA-N -1 0 358.444 3.052 50 10 FGCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1Cl ZINC000101469878 209226457 /nfs/dbraw/zinc/22/64/57/209226457.db2.gz OQHJWEZZFRTYKK-WGLILOHCSA-N -1 0 355.785 3.289 50 10 FGCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc(C)c1OC(F)F ZINC000096663511 206807962 /nfs/dbraw/zinc/80/79/62/206807962.db2.gz NAXXXEPGQMROQX-BJMVGYQFSA-N -1 0 373.402 3.191 50 10 FGCARM COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000004614049 207032674 /nfs/dbraw/zinc/03/26/74/207032674.db2.gz OFURJNOVUGHIST-SXGWCWSVSA-N -1 0 366.373 3.208 50 10 FGCARM O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000009421701 207271354 /nfs/dbraw/zinc/27/13/54/207271354.db2.gz DLLXIYBZVBHULM-MHWRWJLKSA-N -1 0 364.792 3.192 50 10 FGCARM COc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1C ZINC000011291114 207310803 /nfs/dbraw/zinc/31/08/03/207310803.db2.gz RZUHTUVMQQYYNI-LCYFTJDESA-N -1 0 351.449 3.070 50 10 FGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1 ZINC000008995207 132260616 /nfs/dbraw/zinc/26/06/16/132260616.db2.gz SAXIHYRQBAZXDF-LGMZDBLJSA-N -1 0 368.345 3.360 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000001192621 132380783 /nfs/dbraw/zinc/38/07/83/132380783.db2.gz OMIIVUNBBSGRFP-YRNVUSSQSA-N -1 0 361.697 3.348 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000009265507 132845094 /nfs/dbraw/zinc/84/50/94/132845094.db2.gz HURFLEWOPQUPAH-JXAWBTAJSA-N -1 0 357.369 3.144 50 10 FGCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(N)=O)cc2)cc1 ZINC000002883168 493824652 /nfs/dbraw/zinc/82/46/52/493824652.db2.gz AYYMXWWOTHYFHO-UHFFFAOYSA-N -1 0 364.401 3.269 50 10 FGCARM COc1ccccc1[C@H](NC(C)=O)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684847 493886776 /nfs/dbraw/zinc/88/67/76/493886776.db2.gz JSRAGGGSNGZCQL-KRWDZBQOSA-N -1 0 367.361 3.083 50 10 FGCARM COC(=O)c1c2c(sc1NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2 ZINC000013249703 494282358 /nfs/dbraw/zinc/28/23/58/494282358.db2.gz OLTQKJFZYGDIDZ-UHFFFAOYSA-N -1 0 365.451 3.387 50 10 FGCARM COC(=O)c1c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)sc2c1CCC2 ZINC000013249707 494282586 /nfs/dbraw/zinc/28/25/86/494282586.db2.gz RKRDSEIHTLINPJ-ZDUSSCGKSA-N -1 0 373.430 3.220 50 10 FGCARM O=S(=O)([N-]c1ccccc1N1CCCCC1)c1cccc2nsnc21 ZINC000019077498 494435023 /nfs/dbraw/zinc/43/50/23/494435023.db2.gz UJCIRHKBQHNRSC-UHFFFAOYSA-N -1 0 374.491 3.482 50 10 FGCARM COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c2ccccc12 ZINC000001059551 219360379 /nfs/dbraw/zinc/36/03/79/219360379.db2.gz LUKYDOFHPQHDOL-RIYZIHGNSA-N -1 0 359.428 3.134 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(SC(F)F)cc3)o2)C(=O)N1 ZINC000001453191 209391231 /nfs/dbraw/zinc/39/12/31/209391231.db2.gz DXVHLZHRWDITMS-UHFFFAOYSA-N -1 0 364.329 3.011 50 10 FGCARM O=C([O-])CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1 ZINC000096307128 209149533 /nfs/dbraw/zinc/14/95/33/209149533.db2.gz JNHPHRQYIZZXJX-RVDMUPIBSA-N -1 0 360.435 3.043 50 10 FGCARM O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[N-]c1ccccc1 ZINC000004522215 207024952 /nfs/dbraw/zinc/02/49/52/207024952.db2.gz SDMCEPFAHUNUAV-UHFFFAOYSA-N -1 0 363.394 3.263 50 10 FGCARM COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])c1O ZINC000005043646 207074735 /nfs/dbraw/zinc/07/47/35/207074735.db2.gz JKSIRUDZUKZIEE-CYBMUJFWSA-N -1 0 374.418 3.005 50 10 FGCARM O=C([O-])c1cn(-c2ccccc2)c2c1NC(=O)C[C@H]2c1ccc(O)c(O)c1 ZINC000061718137 221134684 /nfs/dbraw/zinc/13/46/84/221134684.db2.gz HPDOZENAJFPRPJ-ZDUSSCGKSA-N -1 0 364.357 3.061 50 10 FGCARM Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000100401511 132232830 /nfs/dbraw/zinc/23/28/30/132232830.db2.gz COXBYBLRDGVXPH-UVTDQMKNSA-N -1 0 355.781 3.227 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001192490 132380805 /nfs/dbraw/zinc/38/08/05/132380805.db2.gz JNPNTPXTUWHBJF-LDADJPATSA-N -1 0 364.401 3.485 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)c1 ZINC000001215328 132381094 /nfs/dbraw/zinc/38/10/94/132381094.db2.gz MLFXQJNBFNQIMI-MDWZMJQESA-N -1 0 355.306 3.311 50 10 FGCARM O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Cl)c([O-])c(Cl)c1 ZINC000001237229 493790222 /nfs/dbraw/zinc/79/02/22/493790222.db2.gz PRXJNGXCSJOWMV-YRNVUSSQSA-N -1 0 359.234 3.002 50 10 FGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3C)C2=O)cc1 ZINC000005024268 493908686 /nfs/dbraw/zinc/90/86/86/493908686.db2.gz DCIRTPUHFBSFAI-ATVHPVEESA-N -1 0 350.374 3.060 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)cc1C ZINC000009350990 494122259 /nfs/dbraw/zinc/12/22/59/494122259.db2.gz NDKHXJDZESTRET-YBEGLDIGSA-N -1 0 353.353 3.021 50 10 FGCARM COc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000013810603 494297104 /nfs/dbraw/zinc/29/71/04/494297104.db2.gz HEWZPKNYDOXVDC-GHXNOFRVSA-N -1 0 363.200 3.463 50 10 FGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1O ZINC000001250590 535658433 /nfs/dbraw/zinc/65/84/33/535658433.db2.gz FLTUKBDHCRMNMV-FMIVXFBMSA-N -1 0 370.336 3.437 50 10 FGCARM CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001184358 206866135 /nfs/dbraw/zinc/86/61/35/206866135.db2.gz BKZFZSRSNMYIDX-RAXLEYEMSA-N -1 0 351.449 3.151 50 10 FGCARM CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000012635891 207404169 /nfs/dbraw/zinc/40/41/69/207404169.db2.gz DNGXCKVUTJPWSN-AVMBBCFPSA-N -1 0 351.449 3.150 50 10 FGCARM CCc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1 ZINC000001185818 132380843 /nfs/dbraw/zinc/38/08/43/132380843.db2.gz IMTODWJJUIJGGA-KAMYIIQDSA-N -1 0 354.406 3.219 50 10 FGCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000002281243 132383059 /nfs/dbraw/zinc/38/30/59/132383059.db2.gz FOOMHTDIORKAFC-XFXZXTDPSA-N -1 0 366.377 3.374 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000002486391 493809936 /nfs/dbraw/zinc/80/99/36/493809936.db2.gz NUUBFQMTRMAPEL-MNOVXSKESA-N -1 0 363.435 3.019 50 10 FGCARM COc1ccc([C@@H](NC(C)=O)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000004684852 493887012 /nfs/dbraw/zinc/88/70/12/493887012.db2.gz GISQJPACQMPEBB-QGZVFWFLSA-N -1 0 367.361 3.083 50 10 FGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000004704519 493889226 /nfs/dbraw/zinc/88/92/26/493889226.db2.gz AAVDBLWESGINDL-LDADJPATSA-N -1 0 364.401 3.485 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000008738777 494102282 /nfs/dbraw/zinc/10/22/82/494102282.db2.gz OSEHRZOLUSOCJW-SSZFMOIBSA-N -1 0 365.389 3.141 50 10 FGCARM COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000013590195 494290544 /nfs/dbraw/zinc/29/05/44/494290544.db2.gz XRXDBDILUUKGAS-PTNGSMBKSA-N -1 0 352.350 3.322 50 10 FGCARM C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)ccc2O1 ZINC000016810410 494401521 /nfs/dbraw/zinc/40/15/21/494401521.db2.gz ZLALLAXUWUMLAU-ADVUTCEVSA-N -1 0 363.460 3.076 50 10 FGCARM COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCOCC2)c1=O ZINC000019571855 494449891 /nfs/dbraw/zinc/44/98/91/494449891.db2.gz LGCSEAKELVCXQB-UHFFFAOYSA-N -1 0 367.401 3.006 50 10 FGCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000022184954 494516615 /nfs/dbraw/zinc/51/66/15/494516615.db2.gz QBGACHRKGQIBGJ-RIYZIHGNSA-N -1 0 360.211 3.037 50 10 FGCARM O=C([O-])/C=C\c1cnc(/C=C\c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000606445930 507406298 /nfs/dbraw/zinc/40/62/98/507406298.db2.gz AQCKMNHWJNHMMB-SXUARNTMSA-N -1 0 360.410 3.387 50 10 FGCARM COc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000752649 536982104 /nfs/dbraw/zinc/98/21/04/536982104.db2.gz WBKADJDGQGGXCC-UVTDQMKNSA-N -1 0 356.765 3.015 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])[C@H](C)CC ZINC000002137306 209393547 /nfs/dbraw/zinc/39/35/47/209393547.db2.gz DGCSYLIWTOPBBP-KZULUSFZSA-N -1 0 361.438 3.430 50 10 FGCARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000101141391 209222161 /nfs/dbraw/zinc/22/21/61/209222161.db2.gz SVDJWXUQXPMMSX-OQLLNIDSSA-N -1 0 371.780 3.462 50 10 FGCARM CC(C)C(=O)N[C@@H](c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004140298 207003350 /nfs/dbraw/zinc/00/33/50/207003350.db2.gz YXSQDCUYDOWPHY-OAHLLOKOSA-N -1 0 355.350 3.303 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1 ZINC000004363294 207016076 /nfs/dbraw/zinc/01/60/76/207016076.db2.gz SNFHHFDFMCYFTB-UHFFFAOYSA-N -1 0 361.697 3.098 50 10 FGCARM CCN1C(=O)[N-]C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O ZINC000004676098 207037162 /nfs/dbraw/zinc/03/71/62/207037162.db2.gz YRQBQOZBTIWTIG-BOPFTXTBSA-N -1 0 365.433 3.193 50 10 FGCARM Cc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1C ZINC000101061398 132233342 /nfs/dbraw/zinc/23/33/42/132233342.db2.gz LULOQOAHIIJKSX-YBEGLDIGSA-N -1 0 369.421 3.186 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000100986889 132233478 /nfs/dbraw/zinc/23/34/78/132233478.db2.gz JFCSNNZKFJTESF-XFXZXTDPSA-N -1 0 359.744 3.058 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCCC3=CCCCC3)C2=O)cc1C ZINC000101072174 132233640 /nfs/dbraw/zinc/23/36/40/132233640.db2.gz RFWHKNDDAKMOOV-QGOAFFKASA-N -1 0 367.449 3.250 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000001192724 132380838 /nfs/dbraw/zinc/38/08/38/132380838.db2.gz KNKZYXQKHRQLIK-XYOKQWHBSA-N -1 0 357.347 3.471 50 10 FGCARM Cc1ccc(N2C(=O)C(=CNc3ccc(F)cc3)C(=O)[N-]C2=S)cc1C ZINC000005626012 132829230 /nfs/dbraw/zinc/82/92/30/132829230.db2.gz LULOQOAHIIJKSX-MHWRWJLKSA-N -1 0 369.421 3.186 50 10 FGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2O)SC1=S ZINC000001908294 493798869 /nfs/dbraw/zinc/79/88/69/493798869.db2.gz QRBSZNBHIQXSRW-RAXLEYEMSA-N -1 0 351.449 3.238 50 10 FGCARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc2n1C ZINC000004649279 493885832 /nfs/dbraw/zinc/88/58/32/493885832.db2.gz JHLVJGHTXZTVRU-PDGQHHTCSA-N -1 0 373.412 3.462 50 10 FGCARM O=C([O-])c1ccccc1/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O ZINC000016764726 494400734 /nfs/dbraw/zinc/40/07/34/494400734.db2.gz PNDHWWHGCWJEDP-ZROIWOOFSA-N -1 0 357.412 3.496 50 10 FGCARM CC(C)COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)NC1=O ZINC000027532001 494870908 /nfs/dbraw/zinc/87/09/08/494870908.db2.gz SUYALQOCYIUBND-UHFFFAOYSA-N -1 0 367.199 3.074 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000004613968 209500738 /nfs/dbraw/zinc/50/07/38/209500738.db2.gz VRJCVLURZYXJNO-WDEREUQCSA-N -1 0 365.451 3.243 50 10 FGCARM CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002100721 209393891 /nfs/dbraw/zinc/39/38/91/209393891.db2.gz JLWPTBYEBSJQOY-PIGZYNQJSA-N -1 0 355.390 3.241 50 10 FGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1C(C)C ZINC000004815155 207051922 /nfs/dbraw/zinc/05/19/22/207051922.db2.gz GMUGTRZBROWEEN-GZTJUZNOSA-N -1 0 357.454 3.480 50 10 FGCARM CC(C)c1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCC3)cc1 ZINC000005940143 207123428 /nfs/dbraw/zinc/12/34/28/207123428.db2.gz LHEVFSZOHKMYAL-UHFFFAOYSA-N -1 0 364.492 3.260 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2cccc3cccnc23)SC1=S ZINC000006660808 207152221 /nfs/dbraw/zinc/15/22/21/207152221.db2.gz YZVHSCHGSWQPLK-RAXLEYEMSA-N -1 0 358.444 3.301 50 10 FGCARM Cc1ccc2nc(C)cc(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])c2c1 ZINC000032972125 208061705 /nfs/dbraw/zinc/06/17/05/208061705.db2.gz WGSWTEHIURQHSP-UHFFFAOYSA-N -1 0 351.362 3.395 50 10 FGCARM Cn1c(C=C2C(=O)[N-]C(=O)NC2=O)ccc1-c1ccc(Br)cc1 ZINC000077099423 208195844 /nfs/dbraw/zinc/19/58/44/208195844.db2.gz FQPXXUFRFYZRPN-UHFFFAOYSA-N -1 0 374.194 3.044 50 10 FGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001066709 132379840 /nfs/dbraw/zinc/37/98/40/132379840.db2.gz KZWHYDFZLWFHNB-GSPDUGTFSA-N -1 0 358.806 3.321 50 10 FGCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1Cc1ccccc1C ZINC000005102370 493913471 /nfs/dbraw/zinc/91/34/71/493913471.db2.gz QJERPAROCVKICZ-UHFFFAOYSA-N -1 0 373.412 3.056 50 10 FGCARM COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c2ccccc12 ZINC000013602836 494290581 /nfs/dbraw/zinc/29/05/81/494290581.db2.gz LUKYDOFHPQHDOL-ZSOIEALJSA-N -1 0 359.428 3.134 50 10 FGCARM CCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000016937655 494404056 /nfs/dbraw/zinc/40/40/56/494404056.db2.gz PECYOSWZEPRIPP-RAXLEYEMSA-N -1 0 351.449 3.151 50 10 FGCARM COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000012653840 210234300 /nfs/dbraw/zinc/23/43/00/210234300.db2.gz XVLRPVRCGVMPQH-RPHSKFLZSA-N -1 0 351.449 3.006 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000002486385 219446298 /nfs/dbraw/zinc/44/62/98/219446298.db2.gz NUUBFQMTRMAPEL-WDEREUQCSA-N -1 0 363.435 3.019 50 10 FGCARM CCOc1ccc(/C=C2/SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1 ZINC000027530425 211465937 /nfs/dbraw/zinc/46/59/37/211465937.db2.gz SNMPVKBQCAFOTE-OQZOHAQUSA-N -1 0 351.449 3.150 50 10 FGCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000001817322 210371811 /nfs/dbraw/zinc/37/18/11/210371811.db2.gz NEKSCRPLGMYFGM-RNQWEJQRSA-N -1 0 356.428 3.109 50 10 FGCARM O=C([O-])c1cc(O)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000802313 210272442 /nfs/dbraw/zinc/27/24/42/210272442.db2.gz ZIXISAPRWJDNPZ-UHFFFAOYSA-N -1 0 366.329 3.188 50 10 FGCARM COc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000001173483 132380672 /nfs/dbraw/zinc/38/06/72/132380672.db2.gz AONTVRJLQSGMPC-OQLLNIDSSA-N -1 0 367.317 3.110 50 10 FGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000001220122 493790516 /nfs/dbraw/zinc/79/05/16/493790516.db2.gz POLAXLQUQUEMGA-RNQWEJQRSA-N -1 0 364.492 3.063 50 10 FGCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)ccc1OC(C)C ZINC000004180379 493868159 /nfs/dbraw/zinc/86/81/59/493868159.db2.gz NLESZASVXWJCMQ-GZTJUZNOSA-N -1 0 366.417 3.252 50 10 FGCARM Cc1ccc(C)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCC3)c1 ZINC000006471453 493965213 /nfs/dbraw/zinc/96/52/13/493965213.db2.gz FPMOIYZUCXHVGX-UHFFFAOYSA-N -1 0 364.492 3.143 50 10 FGCARM COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000033395841 494060190 /nfs/dbraw/zinc/06/01/90/494060190.db2.gz MPDTWZMDASDWNU-YQCJOKCJSA-N -1 0 351.449 3.006 50 10 FGCARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O ZINC000005043652 219643401 /nfs/dbraw/zinc/64/34/01/219643401.db2.gz LLPPRWQGHVXABR-QGZVFWFLSA-N -1 0 352.390 3.325 50 10 FGCARM O=C1[N-]N(c2cccc(Br)c2)C(=O)/C1=C\C=C\c1ccco1 ZINC000015836390 220167433 /nfs/dbraw/zinc/16/74/33/220167433.db2.gz UGUVOIURXLEMCW-NTOUICHMSA-N -1 0 359.179 3.060 50 10 FGCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1Cc1cccnc1 ZINC000036158066 211655999 /nfs/dbraw/zinc/65/59/99/211655999.db2.gz GNDRCPVAALJCQC-AUWJEWJLSA-N -1 0 373.415 3.097 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001771637 210370315 /nfs/dbraw/zinc/37/03/15/210370315.db2.gz PMSGPLROFRAQCY-LCFDYFRESA-N -1 0 371.480 3.233 50 10 FGCARM Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000001030312 210303209 /nfs/dbraw/zinc/30/32/09/210303209.db2.gz MYIRZCGNDMMBKU-UHFFFAOYSA-N -1 0 355.306 3.061 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccccc3Cl)C2=O)c1 ZINC000100401430 132232845 /nfs/dbraw/zinc/23/28/45/132232845.db2.gz SMSOHQYHOWVPPW-RAXLEYEMSA-N -1 0 355.781 3.227 50 10 FGCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccncc2)SC1=S ZINC000001271115 493791465 /nfs/dbraw/zinc/79/14/65/493791465.db2.gz YURKUQBFLHYZLE-QLKUMGTLSA-N -1 0 356.428 3.109 50 10 FGCARM CCOc1ccc(N=Nc2c(N)[n-]n3c2nc2c(c3=O)CCCC2)cc1 ZINC000004649608 493885366 /nfs/dbraw/zinc/88/53/66/493885366.db2.gz ZJGKYYGJYZCMBY-QURGRASLSA-N -1 0 352.398 3.298 50 10 FGCARM Cc1ccc(O)c(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000005961196 493947835 /nfs/dbraw/zinc/94/78/35/493947835.db2.gz GBZCTGRYVBSRIM-RZNTYIFUSA-N -1 0 363.200 3.469 50 10 FGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccco1 ZINC000015659375 494364046 /nfs/dbraw/zinc/36/40/46/494364046.db2.gz ORVGTRYOUVKRBF-NTOUICHMSA-N -1 0 358.806 3.321 50 10 FGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)ccc1O ZINC000038160984 535658967 /nfs/dbraw/zinc/65/89/67/535658967.db2.gz SKTAGVOLVHXDAP-ZROIWOOFSA-N -1 0 368.345 3.003 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001201670 536597115 /nfs/dbraw/zinc/59/71/15/536597115.db2.gz JOOBAUSKYKIOMX-LDADJPATSA-N -1 0 364.401 3.485 50 10 FGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001233288 536598529 /nfs/dbraw/zinc/59/85/29/536598529.db2.gz RMFAKWGDVHOSGV-XNTDXEJSSA-N -1 0 356.765 3.015 50 10 FGCARM Cc1oc2c(ccc([O-])c2CN2CCOCC2)c(=O)c1-c1ccccc1 ZINC000020392284 210236529 /nfs/dbraw/zinc/23/65/29/210236529.db2.gz CLSISILCABZETM-UHFFFAOYSA-N -1 0 351.402 3.306 50 10 FGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000001156121 219382389 /nfs/dbraw/zinc/38/23/89/219382389.db2.gz JMMZNRHHHLCSTO-QRYYFKOISA-N -1 0 371.437 3.014 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1Cl ZINC000015013884 211115324 /nfs/dbraw/zinc/11/53/24/211115324.db2.gz WTMOHMGNLGJZOQ-LCYFTJDESA-N -1 0 362.813 3.143 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000013570626 211041073 /nfs/dbraw/zinc/04/10/73/211041073.db2.gz ZBBFKCJCVGSYEG-WJDWOHSUSA-N -1 0 362.341 3.202 50 10 FGCARM Cc1cc(I)cc2c1N[C@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000012436998 210957786 /nfs/dbraw/zinc/95/77/86/210957786.db2.gz QTTDZDKFEMOZEY-BREBYQMCSA-N -1 0 355.175 3.138 50 10 FGCARM COc1cc2cccnc2c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000000821817 210275314 /nfs/dbraw/zinc/27/53/14/210275314.db2.gz KZWWEGJMYGYLRS-UHFFFAOYSA-N -1 0 372.431 3.049 50 10 FGCARM O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNCCC1=CCCCC1 ZINC000101046701 222260725 /nfs/dbraw/zinc/26/07/25/222260725.db2.gz LGTLKQDHOCLPDR-SAPNQHFASA-N -1 0 359.470 3.152 50 10 FGCARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(N)cc1 ZINC000003252146 493834087 /nfs/dbraw/zinc/83/40/87/493834087.db2.gz AKQFSJGSWXMWPE-UHFFFAOYSA-N -1 0 371.256 3.231 50 10 FGCARM CCCCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000005951519 493946604 /nfs/dbraw/zinc/94/66/04/493946604.db2.gz HNAKAMQENXPDMN-UHFFFAOYSA-N -1 0 353.440 3.387 50 10 FGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCCC3)C2=O)cc1 ZINC000006782275 493978579 /nfs/dbraw/zinc/97/85/79/493978579.db2.gz ZPGGTGJDLTUZBA-VBKFSLOCSA-N -1 0 356.426 3.108 50 10 FGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1O ZINC000013775011 494296717 /nfs/dbraw/zinc/29/67/17/494296717.db2.gz CQAOIUKPSORVEY-DHZHZOJOSA-N -1 0 356.309 3.047 50 10 FGCARM Cc1cccc(N2C(=O)C(=CNc3ccccc3C)C(=O)[N-]C2=S)c1 ZINC000016662498 494398724 /nfs/dbraw/zinc/39/87/24/494398724.db2.gz KZSXWNSAEACNBE-PTNGSMBKSA-N -1 0 351.431 3.047 50 10 FGCARM COC(=O)c1cccc(-n2c(C)cc(C=C3NC(=O)[N-]C3=O)c2C)c1C ZINC000027552223 494873602 /nfs/dbraw/zinc/87/36/02/494873602.db2.gz USWWGAVITKLWJP-DHDCSXOGSA-N -1 0 353.378 3.210 50 10 FGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 ZINC000217683393 496999172 /nfs/dbraw/zinc/99/91/72/496999172.db2.gz JXLVSBCVKUJJGM-SXGZJXTBSA-N -1 0 363.417 3.113 50 10 FGCARM COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1C ZINC000096931591 210241252 /nfs/dbraw/zinc/24/12/52/210241252.db2.gz RZUHTUVMQQYYNI-UKTHLTGXSA-N -1 0 351.449 3.070 50 10 FGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)coc32)CC1 ZINC000020395320 210237160 /nfs/dbraw/zinc/23/71/60/210237160.db2.gz RGEHECBQILDZLE-UHFFFAOYSA-N -1 0 364.445 3.303 50 10 FGCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000033821724 210171181 /nfs/dbraw/zinc/17/11/81/210171181.db2.gz DXXQWHGIQHEWGY-JYRVWZFOSA-N -1 0 368.784 3.228 50 10 FGCARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC000001050101 210073520 /nfs/dbraw/zinc/07/35/20/210073520.db2.gz RZKVSQRQJQUEKE-UHFFFAOYSA-N -1 0 359.403 3.363 50 10 aggregator FGCARM COc1cc(C)c(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1C ZINC000015836513 220167843 /nfs/dbraw/zinc/16/78/43/220167843.db2.gz TTWVDLNXVWXSFG-WJDWOHSUSA-N -1 0 356.422 3.107 50 10 FGCARM COc1ccc(C(C)(C)C)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256413 211088273 /nfs/dbraw/zinc/08/82/73/211088273.db2.gz GKNAWYDOSPQPQI-UHFFFAOYSA-N -1 0 361.423 3.330 50 10 FGCARM CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000005149722 210603500 /nfs/dbraw/zinc/60/35/00/210603500.db2.gz MSKYNGWPKUVWHF-UGMNDJHYSA-N -1 0 360.460 3.243 50 10 FGCARM CN(C)c1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004817231 210566347 /nfs/dbraw/zinc/56/63/47/210566347.db2.gz ADETYNXHGKOOCO-INIZCTEOSA-N -1 0 371.462 3.357 50 10 FGCARM CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002100722 210380782 /nfs/dbraw/zinc/38/07/82/210380782.db2.gz JLWPTBYEBSJQOY-APPDUMDISA-N -1 0 355.390 3.241 50 10 FGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001916880 210375572 /nfs/dbraw/zinc/37/55/72/210375572.db2.gz XTSOELVQZHNYGU-RAXLEYEMSA-N -1 0 351.449 3.238 50 10 FGCARM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001163926 210328162 /nfs/dbraw/zinc/32/81/62/210328162.db2.gz AQMXIIVKYIXQPK-LFIBNONCSA-N -1 0 352.415 3.071 50 10 FGCARM CCN(CC)c1ccc(-n2c(C)cc(/C=C3\NC(=O)[N-]C3=O)c2C)cc1 ZINC000001013419 210301388 /nfs/dbraw/zinc/30/13/88/210301388.db2.gz MOYUFPFXOZLGFO-PDGQHHTCSA-N -1 0 352.438 3.121 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(C)c1 ZINC000002251036 132382918 /nfs/dbraw/zinc/38/29/18/132382918.db2.gz NJPHVZRHJPLRMK-SFQUDFHCSA-N -1 0 363.417 3.036 50 10 FGCARM CC(=O)N[C@@H](c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684853 493886793 /nfs/dbraw/zinc/88/67/93/493886793.db2.gz VNUHGJFWJAIONI-KRWDZBQOSA-N -1 0 351.362 3.383 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CN[C@@H](C)c3ccccc3)C2=O)cc1C ZINC000006131734 493953411 /nfs/dbraw/zinc/95/34/11/493953411.db2.gz KVTDSPBIYMMROZ-BRYHAGSVSA-N -1 0 363.417 3.121 50 10 FGCARM CC(C)c1ccccc1NC=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006257212 493956473 /nfs/dbraw/zinc/95/64/73/493956473.db2.gz PTDHOONTWYDFJB-ATVHPVEESA-N -1 0 363.417 3.384 50 10 FGCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000033334224 494059106 /nfs/dbraw/zinc/05/91/06/494059106.db2.gz WJGNCBWDZIHBJH-GSPDUGTFSA-N -1 0 359.179 3.060 50 10 FGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000008205933 494075779 /nfs/dbraw/zinc/07/57/79/494075779.db2.gz UIHHFGAFGCMKOT-NTUHNPAUSA-N -1 0 363.391 3.372 50 10 FGCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000015822904 494369891 /nfs/dbraw/zinc/36/98/91/494369891.db2.gz IMNOQKSOVCNZEZ-XFXZXTDPSA-N -1 0 374.755 3.154 50 10 FGCARM CCCCCC[C@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000002416039 535004245 /nfs/dbraw/zinc/00/42/45/535004245.db2.gz PEPPBCYERXTTFF-WIOAZZGGSA-N -1 0 361.417 3.241 50 10 FGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000014010977 211068394 /nfs/dbraw/zinc/06/83/94/211068394.db2.gz WURBBPCVWCWEIH-WQRHYEAKSA-N -1 0 365.433 3.309 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000001173402 132380714 /nfs/dbraw/zinc/38/07/14/132380714.db2.gz VZLRRACTUSPWHM-LDADJPATSA-N -1 0 358.353 3.212 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000001250584 132381573 /nfs/dbraw/zinc/38/15/73/132381573.db2.gz PTHKUDUHPWJYGZ-FMIVXFBMSA-N -1 0 370.336 3.350 50 10 FGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])s2)C1=O ZINC000001821304 132382413 /nfs/dbraw/zinc/38/24/13/132382413.db2.gz XIRKSALHAUKBGO-CSKARUKUSA-N -1 0 373.346 3.172 50 10 FGCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000002915495 132384248 /nfs/dbraw/zinc/38/42/48/132384248.db2.gz XQYLCKUADKMRIJ-RIYZIHGNSA-N -1 0 360.797 3.310 50 10 FGCARM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000002892662 132384352 /nfs/dbraw/zinc/38/43/52/132384352.db2.gz FBGHVROWCAALNV-WJDWOHSUSA-N -1 0 351.431 3.047 50 10 FGCARM Cc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000015012676 132876125 /nfs/dbraw/zinc/87/61/25/132876125.db2.gz GYMZNROPXVCDIC-GDNBJRDFSA-N -1 0 356.834 3.480 50 10 FGCARM Cc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1 ZINC000100826063 222254645 /nfs/dbraw/zinc/25/46/45/222254645.db2.gz WYUDOHCMUUVHLV-FOWTUZBSSA-N -1 0 367.474 3.383 50 10 FGCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 ZINC000103020638 222319579 /nfs/dbraw/zinc/31/95/79/222319579.db2.gz JXLVSBCVKUJJGM-STXHMFSFSA-N -1 0 363.417 3.113 50 10 FGCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](CC(C)C)C(=O)[O-] ZINC000002216501 263144755 /nfs/dbraw/zinc/14/47/55/263144755.db2.gz QEKIVQJVRWDTOQ-MRXNPFEDSA-N -1 0 361.438 3.430 50 10 FGCARM Cc1cc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c(C)n1-c1ccc(F)cc1 ZINC000262811999 497626346 /nfs/dbraw/zinc/62/63/46/497626346.db2.gz BCKWQUUYHSKSDR-CQSZACIVSA-N -1 0 372.318 3.369 50 10 FGCARM Cc1cccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000101350413 570819410 /nfs/dbraw/zinc/81/94/10/570819410.db2.gz FQJCNSNHYMHQSQ-XNTDXEJSSA-N -1 0 355.781 3.227 50 10 FGCARM CC(C)(C)n1nc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cc1C1CC1 ZINC000048165164 570934987 /nfs/dbraw/zinc/93/49/87/570934987.db2.gz NTXNAXNFFVOPIL-UHFFFAOYSA-N -1 0 358.398 3.059 50 10 FGCARM COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000016027994 211154390 /nfs/dbraw/zinc/15/43/90/211154390.db2.gz XVLRPVRCGVMPQH-YQCJOKCJSA-N -1 0 351.449 3.006 50 10 FGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000004824097 132255031 /nfs/dbraw/zinc/25/50/31/132255031.db2.gz NIBGIMGUGKGCIU-LHQXNBGVSA-N -1 0 352.390 3.213 50 10 FGCARM Cc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)[N-]C1=S ZINC000000752213 132378218 /nfs/dbraw/zinc/37/82/18/132378218.db2.gz LMRBPIYKWBNPMI-XNTDXEJSSA-N -1 0 361.426 3.308 50 10 FGCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)cc1 ZINC000005346201 493925779 /nfs/dbraw/zinc/92/57/79/493925779.db2.gz SQOHSHZDGWQCQO-RIYZIHGNSA-N -1 0 373.411 3.202 50 10 FGCARM Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000006860976 493983599 /nfs/dbraw/zinc/98/35/99/493983599.db2.gz IGZCCSASSSUXHQ-UVTDQMKNSA-N -1 0 355.781 3.227 50 10 FGCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000008995598 494111789 /nfs/dbraw/zinc/11/17/89/494111789.db2.gz YLXZWQBMQUKVDJ-LFIBNONCSA-N -1 0 353.353 3.398 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000009043861 494113150 /nfs/dbraw/zinc/11/31/50/494113150.db2.gz VYFLSDOIBJEZJP-DHZHZOJOSA-N -1 0 359.388 3.328 50 10 FGCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000013765246 494295198 /nfs/dbraw/zinc/29/51/98/494295198.db2.gz SASZDIRTPKDBRU-UHFFFAOYSA-N -1 0 366.458 3.450 50 10 FGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000013773888 494296548 /nfs/dbraw/zinc/29/65/48/494296548.db2.gz ULLUSRLWUGLJBY-UVTDQMKNSA-N -1 0 371.190 3.116 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000000723696 210266298 /nfs/dbraw/zinc/26/62/98/210266298.db2.gz FXLKNNQWUAUHQO-GXDHUFHOSA-N -1 0 367.317 3.110 50 10 FGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000001186087 219386509 /nfs/dbraw/zinc/38/65/09/219386509.db2.gz LQDVJQWCEYWUMV-UHFFFAOYSA-N -1 0 371.396 3.202 50 10 FGCARM COc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O ZINC000026771423 211453699 /nfs/dbraw/zinc/45/36/99/211453699.db2.gz RLXXJLGITYTWFS-RPHSKFLZSA-N -1 0 351.449 3.006 50 10 FGCARM C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000012377921 210947935 /nfs/dbraw/zinc/94/79/35/210947935.db2.gz OPJMPDNYXRIESN-ADVUTCEVSA-N -1 0 361.444 3.070 50 10 FGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S ZINC000002428347 210397551 /nfs/dbraw/zinc/39/75/51/210397551.db2.gz VQTCTJBYHCJMGX-CKNOQMABSA-N -1 0 374.487 3.489 50 10 FGCARM O=C([O-])CCC(=O)N1N=C(c2ccccc2F)C[C@H]1c1ccccc1O ZINC000080316217 221695739 /nfs/dbraw/zinc/69/57/39/221695739.db2.gz VNSDZQGVSVDOTA-INIZCTEOSA-N -1 0 356.353 3.074 50 10 FGCARM CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1 ZINC000004356835 493874712 /nfs/dbraw/zinc/87/47/12/493874712.db2.gz SNMPVKBQCAFOTE-FNWMBBJUSA-N -1 0 351.449 3.150 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1 ZINC000004704621 493888759 /nfs/dbraw/zinc/88/87/59/493888759.db2.gz ATCIFUIXEGKVAO-UHFFFAOYSA-N -1 0 361.697 3.098 50 10 FGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000005214844 493920127 /nfs/dbraw/zinc/92/01/27/493920127.db2.gz XLUYPDFTJMZMFG-VSUWBIFXSA-N -1 0 372.265 3.123 50 10 FGCARM NC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc3ccccc3c1)CCC2 ZINC000006507473 493965964 /nfs/dbraw/zinc/96/59/64/493965964.db2.gz IBBXFZJWFHNGAS-UHFFFAOYSA-N -1 0 372.471 3.290 50 10 FGCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000008997168 494111993 /nfs/dbraw/zinc/11/19/93/494111993.db2.gz KNIYTMDMZGATPO-GZTJUZNOSA-N -1 0 367.380 3.394 50 10 FGCARM COc1ccc(NC(C)=O)cc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000102228543 570829743 /nfs/dbraw/zinc/82/97/43/570829743.db2.gz SHDNBPXHRLWIQG-ATVHPVEESA-N -1 0 364.405 3.372 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(Br)cc3)C2=O)cc1 ZINC000004471682 210081689 /nfs/dbraw/zinc/08/16/89/210081689.db2.gz NLIRNWUZRHAAJR-GDNBJRDFSA-N -1 0 357.207 3.219 50 10 FGCARM O=C([O-])[C@@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O ZINC000004681208 210552074 /nfs/dbraw/zinc/55/20/74/210552074.db2.gz TWADQDKHELMUTE-XJKSGUPXSA-N -1 0 365.838 3.452 50 10 FGCARM C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)ccc2O1 ZINC000002200403 210384006 /nfs/dbraw/zinc/38/40/06/210384006.db2.gz ZLALLAXUWUMLAU-GMROUXNLSA-N -1 0 363.460 3.076 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C)cc2)SC1=S ZINC000001786488 210370866 /nfs/dbraw/zinc/37/08/66/210370866.db2.gz VRKITGGQGSFAON-VWLVURMCSA-N -1 0 367.517 3.403 50 10 FGCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000008974431 132260591 /nfs/dbraw/zinc/26/05/91/132260591.db2.gz SDZGFBYJQDRCTJ-KAMYIIQDSA-N -1 0 353.353 3.398 50 10 FGCARM Cc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C(=O)[N-]C2=S)cc1 ZINC000001297308 132381519 /nfs/dbraw/zinc/38/15/19/132381519.db2.gz WLDGJAGCVLLUMW-XYOKQWHBSA-N -1 0 357.347 3.168 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000001825417 132382399 /nfs/dbraw/zinc/38/23/99/132382399.db2.gz KFLJCZCQHOHEJD-XYOKQWHBSA-N -1 0 373.346 3.172 50 10 FGCARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(N)cc2)c1=O ZINC000100502042 222244889 /nfs/dbraw/zinc/24/48/89/222244889.db2.gz REUFKMZHYKRDTD-UHFFFAOYSA-N -1 0 351.406 3.342 50 10 FGCARM CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002100717 493801218 /nfs/dbraw/zinc/80/12/18/493801218.db2.gz JLWPTBYEBSJQOY-DIFFPNOSSA-N -1 0 355.390 3.241 50 10 FGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000002486389 493810309 /nfs/dbraw/zinc/81/03/09/493810309.db2.gz NUUBFQMTRMAPEL-QWRGUYRKSA-N -1 0 363.435 3.019 50 10 FGCARM CCCCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2C)cc1 ZINC000003003977 493827704 /nfs/dbraw/zinc/82/77/04/493827704.db2.gz GFRHILUZFUXBMH-UHFFFAOYSA-N -1 0 365.433 3.186 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1 ZINC000008739347 494102122 /nfs/dbraw/zinc/10/21/22/494102122.db2.gz WOGISSLYRYBUMU-UHFFFAOYSA-N -1 0 358.357 3.129 50 10 FGCARM CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1 ZINC000012635894 494248209 /nfs/dbraw/zinc/24/82/09/494248209.db2.gz DNGXCKVUTJPWSN-PEHNMLCRSA-N -1 0 351.449 3.150 50 10 FGCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1C ZINC000014011377 494300309 /nfs/dbraw/zinc/30/03/09/494300309.db2.gz RVOKMCOVOYWIFB-MHWRWJLKSA-N -1 0 371.824 3.445 50 10 FGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000000713042 524533984 /nfs/dbraw/zinc/53/39/84/524533984.db2.gz YIKVTTODIBALQN-GZTJUZNOSA-N -1 0 359.385 3.153 50 10 biogenic,in-vitro FGCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccco1 ZINC000001178334 695535974 /nfs/dbraw/zinc/53/59/74/695535974.db2.gz DNEOPHCCLCIPQW-GHXNOFRVSA-N -1 0 367.213 3.418 50 10 FGCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001207782 219389688 /nfs/dbraw/zinc/38/96/88/219389688.db2.gz RHSYBTCGCHMKMY-LWYMYGMPSA-N -1 0 372.265 3.123 50 10 FGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000006007547 219709450 /nfs/dbraw/zinc/70/94/50/219709450.db2.gz RHSYBTCGCHMKMY-FSEMZKDTSA-N -1 0 372.265 3.123 50 10 FGCARM CCN(CC)c1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1 ZINC000013343385 220064384 /nfs/dbraw/zinc/06/43/84/220064384.db2.gz GGDINTSNJLMZOH-KAMYIIQDSA-N -1 0 364.492 3.209 50 10 FGCARM CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)c2cccc(C)c2[nH]c1=O ZINC000013409523 220067504 /nfs/dbraw/zinc/06/75/04/220067504.db2.gz JQGGYSLWRDLXKW-WJDWOHSUSA-N -1 0 359.385 3.348 50 10 FGCARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000019080084 220235033 /nfs/dbraw/zinc/23/50/33/220235033.db2.gz MHLQYAAJUZQGHC-UHFFFAOYSA-N -1 0 369.855 3.463 50 10 FGCARM Cc1oc2c(ccc([O-])c2CN2CCN(C)CC2)c(=O)c1-c1ccccc1 ZINC000020393742 220326148 /nfs/dbraw/zinc/32/61/48/220326148.db2.gz AXUKCNUFWFNSMK-UHFFFAOYSA-N -1 0 364.445 3.221 50 10 FGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001207428 132381112 /nfs/dbraw/zinc/38/11/12/132381112.db2.gz NSJLEMBWTUEBMK-LFIBNONCSA-N -1 0 370.792 3.405 50 10 FGCARM Cc1cccc(-n2[n-]c3c(ccc4c3C(=O)c3ccccc3C4=O)c2=O)c1 ZINC000100484835 222245057 /nfs/dbraw/zinc/24/50/57/222245057.db2.gz YXGILANZIAAYJB-UHFFFAOYSA-N -1 0 354.365 3.403 50 10 FGCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000101469824 222275722 /nfs/dbraw/zinc/27/57/22/222275722.db2.gz CAONCLBWLWFOEZ-WGLILOHCSA-N -1 0 355.785 3.289 50 10 FGCARM O=C([O-])CCCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O ZINC000004502753 263333742 /nfs/dbraw/zinc/33/37/42/263333742.db2.gz TZBZXYUTOGVCIX-AWEZNQCLSA-N -1 0 358.419 3.386 50 10 FGCARM Cc1cc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c([N+](=O)[O-])cc1C ZINC000003109026 493831123 /nfs/dbraw/zinc/83/11/23/493831123.db2.gz QYTPDYMLXCOCAT-UHFFFAOYSA-N -1 0 355.306 3.061 50 10 FGCARM Cc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)o1 ZINC000004356928 493874561 /nfs/dbraw/zinc/87/45/61/493874561.db2.gz BUXTWARIGGNSKA-GWQWUEFDSA-N -1 0 373.455 3.485 50 10 FGCARM CC(=O)N[C@H](c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684854 493887069 /nfs/dbraw/zinc/88/70/69/493887069.db2.gz VNUHGJFWJAIONI-QGZVFWFLSA-N -1 0 351.362 3.383 50 10 FGCARM CN(C)c1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004817232 493894186 /nfs/dbraw/zinc/89/41/86/493894186.db2.gz ADETYNXHGKOOCO-MRXNPFEDSA-N -1 0 371.462 3.357 50 10 FGCARM CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000014011079 494300090 /nfs/dbraw/zinc/30/00/90/494300090.db2.gz LVMUOGLTZIGUJL-VBKFSLOCSA-N -1 0 350.374 3.060 50 10 FGCARM CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000001018455 535485248 /nfs/dbraw/zinc/48/52/48/535485248.db2.gz CVQRAOGRHULDCN-XNTDXEJSSA-N -1 0 370.405 3.056 50 10 FGCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1C ZINC000001133290 535963462 /nfs/dbraw/zinc/96/34/62/535963462.db2.gz KBRZJGPGVUHDMD-GXDHUFHOSA-N -1 0 371.437 3.095 50 10 FGCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000001202545 536604246 /nfs/dbraw/zinc/60/42/46/536604246.db2.gz NHWQOIFNVFDBCA-LFIBNONCSA-N -1 0 364.357 3.288 50 10 FGCARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000001202602 219388663 /nfs/dbraw/zinc/38/86/63/219388663.db2.gz CKRGQCVSRAIKTA-YRNVUSSQSA-N -1 0 365.172 3.345 50 10 FGCARM Cc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)o1 ZINC000004356957 219569148 /nfs/dbraw/zinc/56/91/48/219569148.db2.gz UOWJBQSLPMKBHW-NTUHNPAUSA-N -1 0 361.400 3.398 50 10 FGCARM O=C(NCc1ccccc1)c1nnc(-c2sc3ncccc3c2[O-])s1 ZINC000012522417 220001704 /nfs/dbraw/zinc/00/17/04/220001704.db2.gz DTECDVRAMKKTSR-UHFFFAOYSA-N -1 0 368.443 3.450 50 10 FGCARM O=C1/C(=C/c2cc([N+](=O)[O-])ccc2[O-])SC(=S)N1Cc1ccco1 ZINC000015660050 220158332 /nfs/dbraw/zinc/15/83/32/220158332.db2.gz WEEITMDTXSXAGR-QPEQYQDCSA-N -1 0 362.388 3.295 50 10 FGCARM O=C([O-])c1cc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)ccc1O ZINC000027530371 220536132 /nfs/dbraw/zinc/53/61/32/220536132.db2.gz VCMWPBAOVYUENA-VGOFMYFVSA-N -1 0 373.411 3.202 50 10 FGCARM CN(C)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000096792793 222130457 /nfs/dbraw/zinc/13/04/57/222130457.db2.gz ALDUZFVXEIJHAN-KAMYIIQDSA-N -1 0 361.401 3.105 50 10 FGCARM O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1O ZINC000004681209 263335635 /nfs/dbraw/zinc/33/56/35/263335635.db2.gz TWADQDKHELMUTE-BBRMVZONSA-N -1 0 365.838 3.452 50 10 FGCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001748030 493798141 /nfs/dbraw/zinc/79/81/41/493798141.db2.gz XLUYPDFTJMZMFG-LOBLAWFCSA-N -1 0 372.265 3.123 50 10 FGCARM CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002100719 493801306 /nfs/dbraw/zinc/80/13/06/493801306.db2.gz JLWPTBYEBSJQOY-GTNSWQLSSA-N -1 0 355.390 3.241 50 10 FGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004478798 493877119 /nfs/dbraw/zinc/87/71/19/493877119.db2.gz FAAGTJHTKMANHP-PCRWRXJSSA-N -1 0 359.428 3.177 50 10 FGCARM Cc1ccc(N2C(=O)C(=Cc3nc4ccccc4[nH]3)C(=O)[N-]C2=S)cc1 ZINC000006813149 493981773 /nfs/dbraw/zinc/98/17/73/493981773.db2.gz NTIBFLNLKKFHBF-RAXLEYEMSA-N -1 0 362.414 3.114 50 10 FGCARM COC(=O)c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1[O-] ZINC000020677090 494479413 /nfs/dbraw/zinc/47/94/13/494479413.db2.gz VTLIGLBUDQWNON-UHFFFAOYSA-N -1 0 370.430 3.292 50 10 FGCARM COC(=O)c1sc(-n2cnc3cc(OC)c(OC)cc32)c(Cl)c1[O-] ZINC000011906983 219941892 /nfs/dbraw/zinc/94/18/92/219941892.db2.gz PJFUAVOJXJUCNE-UHFFFAOYSA-N -1 0 368.798 3.250 50 10 FGCARM Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2)C1=O ZINC000000771803 132378428 /nfs/dbraw/zinc/37/84/28/132378428.db2.gz GYMZNROPXVCDIC-XNTDXEJSSA-N -1 0 356.834 3.480 50 10 FGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000001066726 132379903 /nfs/dbraw/zinc/37/99/03/132379903.db2.gz VUYZEDYDSXOJNK-XICJKMHVSA-N -1 0 362.385 3.308 50 10 FGCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1 ZINC000097963970 222217944 /nfs/dbraw/zinc/21/79/44/222217944.db2.gz CAONCLBWLWFOEZ-IWKHNONTSA-N -1 0 355.785 3.289 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001835915 493798948 /nfs/dbraw/zinc/79/89/48/493798948.db2.gz NGBCUZOLYWHZEJ-CBFJXKFUSA-N -1 0 359.519 3.156 50 10 FGCARM COc1c(Cl)cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000002309475 493805720 /nfs/dbraw/zinc/80/57/20/493805720.db2.gz HEWZPKNYDOXVDC-KPKJPENVSA-N -1 0 363.200 3.463 50 10 FGCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](CC)C2 ZINC000004646584 493884350 /nfs/dbraw/zinc/88/43/50/493884350.db2.gz AZGNILTUXNTFJL-SNVBAGLBSA-N -1 0 353.440 3.243 50 10 FGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(O)c3)C2=O)cc1Cl ZINC000004704218 493889307 /nfs/dbraw/zinc/88/93/07/493889307.db2.gz FAEQZOXXZUQEFR-ZSOIEALJSA-N -1 0 356.765 3.020 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006007511 493948793 /nfs/dbraw/zinc/94/87/93/493948793.db2.gz PMSGPLROFRAQCY-SERMCNLOSA-N -1 0 371.480 3.233 50 10 FGCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(C)c2C)C1=O ZINC000008739143 494102771 /nfs/dbraw/zinc/10/27/71/494102771.db2.gz LXHDJICPKGVGRD-LFIBNONCSA-N -1 0 351.406 3.075 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000012420265 494231414 /nfs/dbraw/zinc/23/14/14/494231414.db2.gz MOORPLHGYGULKX-JYRVWZFOSA-N -1 0 363.200 3.463 50 10 FGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000021487201 220357915 /nfs/dbraw/zinc/35/79/15/220357915.db2.gz KTYGAQCRLRUJII-GUNGLEHYSA-N -1 0 360.460 3.478 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001171137 132380632 /nfs/dbraw/zinc/38/06/32/132380632.db2.gz CUARFCCFGPEPAS-NBVRZTHBSA-N -1 0 373.437 3.309 50 10 FGCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1 ZINC000003353957 493840011 /nfs/dbraw/zinc/84/00/11/493840011.db2.gz RGADPTDOEWIUCQ-RIYZIHGNSA-N -1 0 357.412 3.496 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004745934 493891362 /nfs/dbraw/zinc/89/13/62/493891362.db2.gz VODYDPBUAABDHZ-KPCVXNCWSA-N -1 0 369.489 3.243 50 10 FGCARM COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000036022954 494083942 /nfs/dbraw/zinc/08/39/42/494083942.db2.gz ISUJVUFRWOMWGG-ZSOIEALJSA-N -1 0 353.334 3.115 50 10 FGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000017027709 494405974 /nfs/dbraw/zinc/40/59/74/494405974.db2.gz VHADPGFRAUJGCM-KAMYIIQDSA-N -1 0 352.346 3.211 50 10 FGCARM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000101148544 570817286 /nfs/dbraw/zinc/81/72/86/570817286.db2.gz IIZFTERXRCGJKU-OQLLNIDSSA-N -1 0 371.780 3.462 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001835917 219419786 /nfs/dbraw/zinc/41/97/86/219419786.db2.gz NGBCUZOLYWHZEJ-SBMLRHLQSA-N -1 0 359.519 3.156 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1 ZINC000004471492 219576297 /nfs/dbraw/zinc/57/62/97/219576297.db2.gz DMYJUXHACAFZLA-GDNBJRDFSA-N -1 0 357.207 3.219 50 10 FGCARM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000001174294 132380748 /nfs/dbraw/zinc/38/07/48/132380748.db2.gz LQHKHDFGSYTRNV-MHWRWJLKSA-N -1 0 370.792 3.405 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)cc1 ZINC000001228777 132381329 /nfs/dbraw/zinc/38/13/29/132381329.db2.gz ZIGHQZNYRYFBLE-GXDHUFHOSA-N -1 0 356.765 3.015 50 10 FGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100401461 222243458 /nfs/dbraw/zinc/24/34/58/222243458.db2.gz IWIGNKGGVOTHJA-DHDCSXOGSA-N -1 0 373.771 3.054 50 10 FGCARM CCCCCCc1c(C)c2ccc([O-])c(C[NH2+][C@@H](C)C(=O)[O-])c2oc1=O ZINC000002129416 493800975 /nfs/dbraw/zinc/80/09/75/493800975.db2.gz WQBHXMNVRLHENQ-ZDUSSCGKSA-N -1 0 361.438 3.493 50 10 FGCARM C=C(c1cccc(Br)c1)C1SC(=S)N(CC(=O)[O-])C1=O ZINC000002700352 493816615 /nfs/dbraw/zinc/81/66/15/493816615.db2.gz LKARXJWIKJXNIK-XFFZJAGNSA-N -1 0 372.265 3.125 50 10 FGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccco2)SC1=S ZINC000004478797 493877598 /nfs/dbraw/zinc/87/75/98/493877598.db2.gz FAAGTJHTKMANHP-LFGHMXSPSA-N -1 0 359.428 3.177 50 10 FGCARM CN(C)C(=O)N[C@@H](c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684883 493886585 /nfs/dbraw/zinc/88/65/85/493886585.db2.gz VTVQJSLLZFZDJG-INIZCTEOSA-N -1 0 366.377 3.209 50 10 FGCARM CCOc1cccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)[N-]C2=S)c1 ZINC000004742432 493890823 /nfs/dbraw/zinc/89/08/23/493890823.db2.gz JKVVVGSQYUWGPB-GZTJUZNOSA-N -1 0 366.442 3.225 50 10 FGCARM COc1ccc([N+](=O)[O-])cc1N=Cc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000005433579 493929386 /nfs/dbraw/zinc/92/93/86/493929386.db2.gz FCCKHRAECDCVLZ-GDNBJRDFSA-N -1 0 370.340 3.461 50 10 FGCARM Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)C(=O)[N-]C2=S)cc1 ZINC000018194593 494428584 /nfs/dbraw/zinc/42/85/84/494428584.db2.gz PAICIOSNMUOYEE-NTEUORMPSA-N -1 0 372.833 3.185 50 10 FGCARM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000101673397 570821856 /nfs/dbraw/zinc/82/18/56/570821856.db2.gz VCAXJJYXYYTEEN-MHWRWJLKSA-N -1 0 357.406 3.104 50 10 FGCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000000669312 219311524 /nfs/dbraw/zinc/31/15/24/219311524.db2.gz JBIVLRBTPPKKDP-NTUHNPAUSA-N -1 0 355.756 3.422 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2nc(-c3ccc(Cl)cc3)n3ccccc23)C(=O)N1 ZINC000000956899 219348021 /nfs/dbraw/zinc/34/80/21/219348021.db2.gz WOIRIARQOMIBDE-UHFFFAOYSA-N -1 0 366.764 3.244 50 10 FGCARM CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000018996587 220232778 /nfs/dbraw/zinc/23/27/78/220232778.db2.gz JBRLTLUCENDCHL-YBEGLDIGSA-N -1 0 351.362 3.117 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/C=C/c1ccccc1 ZINC000002277053 132253422 /nfs/dbraw/zinc/25/34/22/132253422.db2.gz CODHQAQCPIBXSG-UYQSWCAZSA-N -1 0 352.390 3.213 50 10 FGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000001174429 132380604 /nfs/dbraw/zinc/38/06/04/132380604.db2.gz QZRAKMKISOICHV-GXDHUFHOSA-N -1 0 370.792 3.323 50 10 FGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000001197255 132381047 /nfs/dbraw/zinc/38/10/47/132381047.db2.gz YDJBGTCOKFOKEI-WOJGMQOQSA-N -1 0 364.401 3.485 50 10 FGCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)c1 ZINC000003292754 493837240 /nfs/dbraw/zinc/83/72/40/493837240.db2.gz GRZLHGXVUKGZAV-ZROIWOOFSA-N -1 0 357.412 3.496 50 10 FGCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O ZINC000005112974 493914540 /nfs/dbraw/zinc/91/45/40/493914540.db2.gz UOUIMVWZKPHIKY-UKTHLTGXSA-N -1 0 370.792 3.274 50 10 FGCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/C=C/c1ccco1 ZINC000013535660 494289164 /nfs/dbraw/zinc/28/91/64/494289164.db2.gz CIMDIXJFAGASGD-PPRDQHCASA-N -1 0 358.806 3.321 50 10 FGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1Cl ZINC000014011130 494299898 /nfs/dbraw/zinc/29/98/98/494299898.db2.gz LJYTZTCVAWMELP-ZROIWOOFSA-N -1 0 370.792 3.323 50 10 FGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c1 ZINC000017206293 494409586 /nfs/dbraw/zinc/40/95/86/494409586.db2.gz XSAQFRAUNPJPLA-YBEGLDIGSA-N -1 0 353.353 3.021 50 10 FGCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533585 494871092 /nfs/dbraw/zinc/87/10/92/494871092.db2.gz VODYDPBUAABDHZ-VTKSJHKGSA-N -1 0 369.489 3.243 50 10 FGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CC=CNc3ccccc3)C2=O)cc1 ZINC000008994828 536656574 /nfs/dbraw/zinc/65/65/74/536656574.db2.gz NQZDSRHGZYFTQL-SCQDGKBBSA-N -1 0 363.373 3.035 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2cccc3ccccc32)C(=O)N1 ZINC000001216992 219390794 /nfs/dbraw/zinc/39/07/94/219390794.db2.gz XTWYFELNWVBEPA-UHFFFAOYSA-N -1 0 372.380 3.168 50 10 FGCARM CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1O ZINC000005046209 219643487 /nfs/dbraw/zinc/64/34/87/219643487.db2.gz QZDGPGALLMYPJQ-MHWRWJLKSA-N -1 0 366.373 3.295 50 10 FGCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000013512980 220070522 /nfs/dbraw/zinc/07/05/22/220070522.db2.gz NYCGCTCIEMVNQO-SFQUDFHCSA-N -1 0 365.433 3.456 50 10 FGCARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000014256602 220121259 /nfs/dbraw/zinc/12/12/59/220121259.db2.gz DECQNWMFJIQJEX-UHFFFAOYSA-N -1 0 368.212 3.095 50 10 FGCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000015659709 220158289 /nfs/dbraw/zinc/15/82/89/220158289.db2.gz OKOSFSLFSWXDGJ-YBEGLDIGSA-N -1 0 351.318 3.099 50 10 FGCARM CC(C)CCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000016035623 220176337 /nfs/dbraw/zinc/17/63/37/220176337.db2.gz XMBDCEYBMOIHBC-ZROIWOOFSA-N -1 0 365.476 3.397 50 10 FGCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000101343503 222270502 /nfs/dbraw/zinc/27/05/02/222270502.db2.gz PPEKDYIIMWJSGI-GUXCAODWSA-N -1 0 366.392 3.467 50 10 FGCARM CC(C)C[C@@H]([NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21)C(=O)[O-] ZINC000002090528 493800901 /nfs/dbraw/zinc/80/09/01/493800901.db2.gz AZGRIGAFRKZOIP-MRXNPFEDSA-N -1 0 355.390 3.241 50 10 FGCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1 ZINC000002188991 493802468 /nfs/dbraw/zinc/80/24/68/493802468.db2.gz AXFDIPYNEJVVIV-OQLLNIDSSA-N -1 0 372.471 3.380 50 10 FGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCCC2 ZINC000005021077 493909150 /nfs/dbraw/zinc/90/91/50/493909150.db2.gz UCGQTYPPDYLQHS-WDEREUQCSA-N -1 0 365.451 3.243 50 10 FGCARM CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000005394294 493928567 /nfs/dbraw/zinc/92/85/67/493928567.db2.gz BXSVUZVOBPZZGJ-YBEGLDIGSA-N -1 0 365.389 3.426 50 10 FGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNNc1ccccc1 ZINC000038182274 494111881 /nfs/dbraw/zinc/11/18/81/494111881.db2.gz RFBAOUTWWCCJEL-DTQAZKPQSA-N -1 0 354.410 3.296 50 10 FGCARM Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(O)cc2)C(=O)[N-]C1=S ZINC000009263207 494118949 /nfs/dbraw/zinc/11/89/49/494118949.db2.gz MDPCPCMSMQDRRB-LCYFTJDESA-N -1 0 372.833 3.185 50 10 FGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)ccc1O ZINC000017029280 494406111 /nfs/dbraw/zinc/40/61/11/494406111.db2.gz GDODOUUVRHTPRE-LCYFTJDESA-N -1 0 352.346 3.216 50 10 FGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1F ZINC000002892780 695536682 /nfs/dbraw/zinc/53/66/82/695536682.db2.gz RPYMMXAPAMYQIG-XFXZXTDPSA-N -1 0 359.744 3.058 50 10 FGCARM O=S(=O)([N-]c1cccc(Br)c1)c1cccc2nsnc21 ZINC000000829999 219327929 /nfs/dbraw/zinc/32/79/29/219327929.db2.gz RFSFOIANSKBRIP-UHFFFAOYSA-N -1 0 370.253 3.255 50 10 FGCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccnc2)SC1=S ZINC000005857642 219702292 /nfs/dbraw/zinc/70/22/92/219702292.db2.gz NEKSCRPLGMYFGM-KADHNRKRSA-N -1 0 356.428 3.109 50 10 FGCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006007513 219709585 /nfs/dbraw/zinc/70/95/85/219709585.db2.gz PMSGPLROFRAQCY-OYGDSYQHSA-N -1 0 371.480 3.233 50 10 FGCARM Cn1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c2ccccc21 ZINC000013787167 220094990 /nfs/dbraw/zinc/09/49/90/220094990.db2.gz JOBWFYRBNAWYRA-ZROIWOOFSA-N -1 0 360.460 3.244 50 10 FGCARM O=c1c2ccc([O-])c(CN3CCCOC3)c2occ1-c1ccc(F)cc1 ZINC000032501400 220661989 /nfs/dbraw/zinc/66/19/89/220661989.db2.gz KGDGSBANGUAWFW-UHFFFAOYSA-N -1 0 355.365 3.485 50 10 FGCARM Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000001307735 132381495 /nfs/dbraw/zinc/38/14/95/132381495.db2.gz VUAWBBWLHKIWNB-WJDWOHSUSA-N -1 0 361.426 3.421 50 10 FGCARM COc1ccc2ccccc2c1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000001416033 493794332 /nfs/dbraw/zinc/79/43/32/493794332.db2.gz YKTAUBXUHMMMHG-RIYZIHGNSA-N -1 0 359.428 3.134 50 10 FGCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1 ZINC000003141917 493830761 /nfs/dbraw/zinc/83/07/61/493830761.db2.gz BCZLPMSPYWJEHB-UHFFFAOYSA-N -1 0 351.145 3.003 50 10 FGCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S ZINC000006661051 493972713 /nfs/dbraw/zinc/97/27/13/493972713.db2.gz PYKQUGQATHQQRO-UVTDQMKNSA-N -1 0 358.444 3.301 50 10 FGCARM O=c1c2ccc([O-])c(CN3CCCOC3)c2occ1-c1ccccc1F ZINC000032501406 493994277 /nfs/dbraw/zinc/99/42/77/493994277.db2.gz DCROFPKMGRSACF-UHFFFAOYSA-N -1 0 355.365 3.485 50 10 FGCARM CCc1cccc2c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c[nH]c21 ZINC000007166484 494004360 /nfs/dbraw/zinc/00/43/60/494004360.db2.gz VCDOJLSJEPRLOC-JYRVWZFOSA-N -1 0 360.460 3.406 50 10 FGCARM COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000033395840 494059677 /nfs/dbraw/zinc/05/96/77/494059677.db2.gz MPDTWZMDASDWNU-RPHSKFLZSA-N -1 0 351.449 3.006 50 10 FGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)C2=O)c(C)c1 ZINC000096581062 495013154 /nfs/dbraw/zinc/01/31/54/495013154.db2.gz FNSXHAHAXCSJFH-MLPAPPSSSA-N -1 0 370.792 3.147 50 10 FGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)ccc1O ZINC000015836563 535659116 /nfs/dbraw/zinc/65/91/16/535659116.db2.gz FLTUKBDHCRMNMV-XFXZXTDPSA-N -1 0 370.336 3.437 50 10 FGCARM