smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000005587883 493936437 /nfs/dbraw/zinc/93/64/37/493936437.db2.gz POKLEAOMKLPXQX-LDADJPATSA-N -1 0 373.412 3.462 40 10 FGCBRM CCOc1c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000006350832 493960291 /nfs/dbraw/zinc/96/02/91/493960291.db2.gz XNEGZVHIOZRQJA-XNTDXEJSSA-N -1 0 372.808 3.209 40 10 FGCBRM CCCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000032109811 493976112 /nfs/dbraw/zinc/97/61/12/493976112.db2.gz FWEYSBWFZXBCIR-LGMDPLHJSA-N -1 0 366.417 3.336 40 10 FGCBRM COc1ccc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)cc1 ZINC000020226903 494470092 /nfs/dbraw/zinc/47/00/92/494470092.db2.gz ZNCUGCWBCQHPRR-GDNBJRDFSA-N -1 0 354.387 3.476 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000408722096 499594600 /nfs/dbraw/zinc/59/46/00/499594600.db2.gz DJXQHZXCMXXKJC-NTEUORMPSA-N -1 0 372.833 3.180 40 10 FGCBRM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 ZINC000408886965 570695289 /nfs/dbraw/zinc/69/52/89/570695289.db2.gz KMYOCMTYXXBLCN-ATVHPVEESA-N -1 0 374.421 3.377 40 10 FGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1C ZINC000408893059 570696015 /nfs/dbraw/zinc/69/60/15/570696015.db2.gz FDJOMGGPRRWZLX-NTEUORMPSA-N -1 0 370.792 3.329 40 10 FGCBRM CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)SC1=S ZINC000409038524 570715175 /nfs/dbraw/zinc/71/51/75/570715175.db2.gz VWUXIJQOYTWEQS-QPEQYQDCSA-N -1 0 351.449 3.007 40 10 FGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100548271 206224109 /nfs/dbraw/zinc/22/41/09/206224109.db2.gz OCGSJYWQLGXTJR-UVTDQMKNSA-N -1 0 367.321 3.222 40 10 FGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2OC(C)C)C1=O ZINC000006479462 263345591 /nfs/dbraw/zinc/34/55/91/263345591.db2.gz DJYUXBVAARUVAD-FOWTUZBSSA-N -1 0 364.401 3.449 40 10 FGCBRM COc1ccc(N2N=C(C)C(=CNc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000016160820 494380854 /nfs/dbraw/zinc/38/08/54/494380854.db2.gz YGBLGHPLTGTECW-BOPFTXTBSA-N -1 0 351.362 3.112 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408872265 570694304 /nfs/dbraw/zinc/69/43/04/570694304.db2.gz CDJVHFKLUIPDHX-SFQUDFHCSA-N -1 0 350.374 3.060 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)cc1Cl ZINC000408987481 570708258 /nfs/dbraw/zinc/70/82/58/570708258.db2.gz OWBOOPNZUSCNGF-ZSOIEALJSA-N -1 0 358.756 3.454 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2C)C1=O ZINC000409125682 570729865 /nfs/dbraw/zinc/72/98/65/570729865.db2.gz DSWPHKRHILURQJ-RVDMUPIBSA-N -1 0 366.442 3.143 40 10 FGCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375044 204205396 /nfs/dbraw/zinc/20/53/96/204205396.db2.gz NJVQXPNCQGFUDC-AQVMYJKNSA-N -1 0 363.460 3.200 40 10 FGCBRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375014 204206192 /nfs/dbraw/zinc/20/61/92/204206192.db2.gz LIIIRNSDVMUKBV-CKXDQPNJSA-N -1 0 363.460 3.344 40 10 FGCBRM CCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000001140168 493785781 /nfs/dbraw/zinc/78/57/81/493785781.db2.gz CTSDIUSBFIYCKR-DHDCSXOGSA-N -1 0 372.808 3.209 40 10 FGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCCC2)o1 ZINC000035362295 494075090 /nfs/dbraw/zinc/07/50/90/494075090.db2.gz OBBKZPVAGZOJON-VKAVYKQESA-N -1 0 351.406 3.121 40 10 FGCBRM CC1=Nc2ccccc2[C@H]1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000100925021 495067015 /nfs/dbraw/zinc/06/70/15/495067015.db2.gz DGNJZOUDHYRKGL-KFXIKWRMSA-N -1 0 351.406 3.214 40 10 FGCBRM CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1[O-] ZINC000101528397 495071637 /nfs/dbraw/zinc/07/16/37/495071637.db2.gz BOKMHIQOMLFIPA-NTEUORMPSA-N -1 0 368.305 3.015 40 10 FGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1cccc2ccccc21 ZINC000408547093 499591875 /nfs/dbraw/zinc/59/18/75/499591875.db2.gz UOVAHZGRCSWOAT-WJDWOHSUSA-N -1 0 361.357 3.007 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408771794 499594898 /nfs/dbraw/zinc/59/48/98/499594898.db2.gz ICNRLEVOEILJHV-LDADJPATSA-N -1 0 364.401 3.369 40 10 FGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1C ZINC000409220732 570742375 /nfs/dbraw/zinc/74/23/75/570742375.db2.gz FAHFYGQHNBCFSI-MHWRWJLKSA-N -1 0 367.474 3.090 40 10 FGCBRM CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000005373640 204205666 /nfs/dbraw/zinc/20/56/66/204205666.db2.gz DDUGJAULLCKRIZ-RNQWEJQRSA-N -1 0 365.476 3.396 40 10 FGCBRM COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000036250247 204368836 /nfs/dbraw/zinc/36/88/36/204368836.db2.gz UKZLWPJLXLAXOX-OVCLIPMQSA-N -1 0 367.361 3.424 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000409228101 263543568 /nfs/dbraw/zinc/54/35/68/263543568.db2.gz UCUXLJUAUXCNJZ-LFIBNONCSA-N -1 0 366.442 3.143 40 10 FGCBRM COc1cc(-n2[n-]c(C)c(C=Nc3c(C)n[nH]c3C)c2=O)ccc1Cl ZINC000059858471 493909460 /nfs/dbraw/zinc/90/94/60/493909460.db2.gz DJXNVWOCAWGHBT-JYRVWZFOSA-N -1 0 359.817 3.407 40 10 FGCBRM CC[C@H](C)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000109425803 494871935 /nfs/dbraw/zinc/87/19/35/494871935.db2.gz OOVJGJKGUBXBCM-MFVBVHDHSA-N -1 0 367.405 3.368 40 10 FGCBRM Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000104230887 495272259 /nfs/dbraw/zinc/27/22/59/495272259.db2.gz OXFDNFJVBHIBOG-IJYGLTAASA-N -1 0 351.322 3.106 40 10 FGCBRM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000408529777 499591442 /nfs/dbraw/zinc/59/14/42/499591442.db2.gz JYODGNWTXSAYEE-GZTJUZNOSA-N -1 0 363.417 3.499 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2C)C1=O ZINC000408796217 499594909 /nfs/dbraw/zinc/59/49/09/499594909.db2.gz DUSLVIDOEUVJCU-FOWTUZBSSA-N -1 0 364.401 3.369 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408865310 570693672 /nfs/dbraw/zinc/69/36/72/570693672.db2.gz AGPOKZRFQIFGGW-SDNWHVSQSA-N -1 0 370.792 3.405 40 10 FGCBRM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408984222 570708140 /nfs/dbraw/zinc/70/81/40/570708140.db2.gz IHPNPLVNISGHQW-DHDCSXOGSA-N -1 0 370.792 3.323 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000409250712 263547160 /nfs/dbraw/zinc/54/71/60/263547160.db2.gz XYNWGEMDQLDKNI-NTCAYCPXSA-N -1 0 366.442 3.225 40 10 FGCBRM CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000409345928 263550484 /nfs/dbraw/zinc/55/04/84/263550484.db2.gz MDZAEJXRLZLMRY-XNFYSYIQSA-N -1 0 351.449 3.150 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cc(C)ccc2C)C1=O ZINC000408535553 499591950 /nfs/dbraw/zinc/59/19/50/499591950.db2.gz TXOUHTKIHSXUNG-FOWTUZBSSA-N -1 0 363.417 3.445 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000408960145 499595565 /nfs/dbraw/zinc/59/55/65/499595565.db2.gz CKPVUYUYCOPWJL-GZTJUZNOSA-N -1 0 351.406 3.100 40 10 FGCBRM CCn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409239393 570743500 /nfs/dbraw/zinc/74/35/00/570743500.db2.gz NDIGDXVSOBTZID-JLHYYAGUSA-N -1 0 357.797 3.136 40 10 FGCBRM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(O)cc2)SC1=S ZINC000006221058 204240510 /nfs/dbraw/zinc/24/05/10/204240510.db2.gz HCQKRFOWSSSAFW-JLHYYAGUSA-N -1 0 351.449 3.238 40 10 FGCBRM Cc1ccc(N2C(=O)C(=CNc3ccccc3)C(=O)[N-]C2=S)cc1Cl ZINC000101653089 132234162 /nfs/dbraw/zinc/23/41/62/132234162.db2.gz GJXOIIZPNVGLRH-GXDHUFHOSA-N -1 0 371.849 3.392 40 10 FGCBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408534067 499591483 /nfs/dbraw/zinc/59/14/83/499591483.db2.gz URLJULNEURFFKL-FOWTUZBSSA-N -1 0 363.417 3.445 40 10 FGCBRM CCCCc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000408547046 499591966 /nfs/dbraw/zinc/59/19/66/499591966.db2.gz HQDITJRHRFLJBO-ATVHPVEESA-N -1 0 367.405 3.197 40 10 FGCBRM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000003071872 204076427 /nfs/dbraw/zinc/07/64/27/204076427.db2.gz ZAHJHACRNMXCJV-VWLVURMCSA-N -1 0 351.449 3.150 40 10 FGCBRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375046 204206211 /nfs/dbraw/zinc/20/62/11/204206211.db2.gz NJVQXPNCQGFUDC-CXFMPIOESA-N -1 0 363.460 3.200 40 10 FGCBRM O=Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000005375003 204206345 /nfs/dbraw/zinc/20/63/45/204206345.db2.gz DUQQBUSCANVVGK-UVTDQMKNSA-N -1 0 363.460 3.345 40 10 FGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O ZINC000006479393 263345324 /nfs/dbraw/zinc/34/53/24/263345324.db2.gz MDZJRJZGQIHSMV-XYOKQWHBSA-N -1 0 356.765 3.020 40 10 FGCBRM CCOc1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)C(=O)[N-]C2=S)c1 ZINC000408741196 263495130 /nfs/dbraw/zinc/49/51/30/263495130.db2.gz OKCHJQAYMXOLDT-GZTJUZNOSA-N -1 0 366.442 3.225 40 10 FGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002210690 493803393 /nfs/dbraw/zinc/80/33/93/493803393.db2.gz ZBBFKCJCVGSYEG-LFIBNONCSA-N -1 0 362.341 3.202 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O ZINC000408813578 499595102 /nfs/dbraw/zinc/59/51/02/499595102.db2.gz OJUJSICFZJHIOT-FOWTUZBSSA-N -1 0 364.401 3.369 40 10 FGCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2cccc(O)c2)C1=O ZINC000408942553 570702114 /nfs/dbraw/zinc/70/21/14/570702114.db2.gz ZHPIPMCVMHRWER-ZSOIEALJSA-N -1 0 356.765 3.020 40 10 FGCBRM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000005334154 204203485 /nfs/dbraw/zinc/20/34/85/204203485.db2.gz KWJLUDJDVNVVFR-YVLHZVERSA-N -1 0 365.389 3.426 40 10 FGCBRM COc1ccc(/C=C2\SC(=S)N([C@@H](CC(C)C)C(=O)[O-])C2=O)cc1 ZINC000005284592 204200971 /nfs/dbraw/zinc/20/09/71/204200971.db2.gz OOUBYGCUIICOLA-GFAPJHNFSA-N -1 0 365.476 3.396 40 10 FGCBRM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000013615682 206304498 /nfs/dbraw/zinc/30/44/98/206304498.db2.gz YKYFJYMYKGSYIJ-ZROIWOOFSA-N -1 0 363.200 3.463 40 10 FGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)N=C1C ZINC000016607374 494396423 /nfs/dbraw/zinc/39/64/23/494396423.db2.gz QPAPQRFSPBUJAU-ZJYZBMPFSA-N -1 0 358.401 3.374 40 10 FGCBRM O=C([O-])c1ccc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)cc1O ZINC000020227139 494470205 /nfs/dbraw/zinc/47/02/05/494470205.db2.gz BHJZTMRIMRNERS-NQDFZQDQSA-N -1 0 356.359 3.322 40 10 FGCBRM O=C([O-])c1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccccc1 ZINC000408532375 499591578 /nfs/dbraw/zinc/59/15/78/499591578.db2.gz UQFNEJSUYLHFAJ-DHDCSXOGSA-N -1 0 371.439 3.453 40 10 FGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408776287 499594831 /nfs/dbraw/zinc/59/48/31/499594831.db2.gz YHLWFKJJLUNQPL-MDWZMJQESA-N -1 0 372.833 3.185 40 10 FGCBRM CC(C)Oc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408866732 570693768 /nfs/dbraw/zinc/69/37/68/570693768.db2.gz IFVSYMMUWGUBST-VBKFSLOCSA-N -1 0 366.442 3.305 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408876275 570694592 /nfs/dbraw/zinc/69/45/92/570694592.db2.gz KMMAHUZYPDLCON-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000408890795 570695344 /nfs/dbraw/zinc/69/53/44/570695344.db2.gz ZJSPQUIYKYDQCB-SFQUDFHCSA-N -1 0 358.353 3.212 40 10 FGCBRM Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O ZINC000409141995 570732120 /nfs/dbraw/zinc/73/21/20/570732120.db2.gz KREJYAOZIGSLHR-XNTDXEJSSA-N -1 0 360.435 3.106 40 10 FGCBRM Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000004817419 207050537 /nfs/dbraw/zinc/05/05/37/207050537.db2.gz QTTDZDKFEMOZEY-OPQQBVKSSA-N -1 0 355.175 3.138 40 10 FGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc([N+](=O)[O-])cc1 ZINC000059135703 493902949 /nfs/dbraw/zinc/90/29/49/493902949.db2.gz IKUHVQCOENWFSE-FMIVXFBMSA-N -1 0 371.349 3.406 40 10 FGCBRM CCCCN1C(=O)/C(=C\c2cc(OC)c([O-])c([N+](=O)[O-])c2)SC1=S ZINC000036613180 494092400 /nfs/dbraw/zinc/09/24/00/494092400.db2.gz COAPDRVFGYDAJN-XYOKQWHBSA-N -1 0 368.436 3.310 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(C)c2C)C1=O ZINC000408531456 499591487 /nfs/dbraw/zinc/59/14/87/499591487.db2.gz KOBVXCKADDWOSC-FOWTUZBSSA-N -1 0 363.417 3.445 40 10 FGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccccc2Cl)C1=O ZINC000408528364 499591644 /nfs/dbraw/zinc/59/16/44/499591644.db2.gz FVHMSUHMOFJZGR-ZRDIBKRKSA-N -1 0 355.781 3.227 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1 ZINC000408854279 570692959 /nfs/dbraw/zinc/69/29/59/570692959.db2.gz BKQSTWHNCPHMBC-XMHGGMMESA-N -1 0 371.396 3.452 40 10 FGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000408893292 570696119 /nfs/dbraw/zinc/69/61/19/570696119.db2.gz DPAGLWJWOJOLHU-NTEUORMPSA-N -1 0 356.765 3.020 40 10 FGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000408892809 570696208 /nfs/dbraw/zinc/69/62/08/570696208.db2.gz DACOPDKLYDATQQ-UKTHLTGXSA-N -1 0 356.765 3.020 40 10 FGCBRM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1N ZINC000217684266 209659684 /nfs/dbraw/zinc/65/96/84/209659684.db2.gz MRQZBWGIENVRHK-UHFFFAOYSA-N -1 0 361.448 3.202 40 10 FGCBRM C[C@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000004745782 207045080 /nfs/dbraw/zinc/04/50/80/207045080.db2.gz RRAQXCYZVBFMBU-MHZFXIRXSA-N -1 0 353.852 3.484 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000004867078 132255629 /nfs/dbraw/zinc/25/56/29/132255629.db2.gz NIDVNKUYNQFOFK-ZROIWOOFSA-N -1 0 356.765 3.020 40 10 FGCBRM COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000006395075 493962442 /nfs/dbraw/zinc/96/24/42/493962442.db2.gz VGVHQQMRDUGHIM-WJDWOHSUSA-N -1 0 355.390 3.000 40 10 FGCBRM O=C([O-])c1cc(NC2=NC(=O)C(=CC=Cc3ccco3)S2)ccc1O ZINC000054164427 494201475 /nfs/dbraw/zinc/20/14/75/494201475.db2.gz MLSHVOIVQVEQEO-NQDFZQDQSA-N -1 0 356.359 3.322 40 10 FGCBRM COc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000016227935 494381929 /nfs/dbraw/zinc/38/19/29/494381929.db2.gz AONTVRJLQSGMPC-DHDCSXOGSA-N -1 0 367.317 3.110 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1C ZINC000408774110 499594854 /nfs/dbraw/zinc/59/48/54/499594854.db2.gz AUACMIKHQAIWPT-LDADJPATSA-N -1 0 363.417 3.036 40 10 FGCBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408865985 570693616 /nfs/dbraw/zinc/69/36/16/570693616.db2.gz CYRNJHMIKJCSQM-PTNGSMBKSA-N -1 0 368.364 3.279 40 10 FGCBRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1 ZINC000017949551 220219891 /nfs/dbraw/zinc/21/98/91/220219891.db2.gz SKYMKWHKGCGRJP-QZQOTICOSA-N -1 0 370.394 3.102 40 10 FGCBRM Nc1ccc(Nc2ccccc2C(=O)[O-])c2c1C(=O)c1ccccc1C2=O ZINC000005002966 207071442 /nfs/dbraw/zinc/07/14/42/207071442.db2.gz AMWKTROIQUGOTA-UHFFFAOYSA-N -1 0 358.353 3.486 40 10 FGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375047 207097045 /nfs/dbraw/zinc/09/70/45/207097045.db2.gz NJVQXPNCQGFUDC-ZVZFUOFVSA-N -1 0 363.460 3.200 40 10 FGCBRM CCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)C(=O)[N-]C2=S)cc1 ZINC000409378733 263553840 /nfs/dbraw/zinc/55/38/40/263553840.db2.gz QYGNOPBJIHCEFB-SFQUDFHCSA-N -1 0 350.443 3.389 40 10 FGCBRM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000012372477 494227546 /nfs/dbraw/zinc/22/75/46/494227546.db2.gz FNBFRLHMLNLQLA-JYRVWZFOSA-N -1 0 368.784 3.228 40 10 FGCBRM O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000016951612 494403662 /nfs/dbraw/zinc/40/36/62/494403662.db2.gz KIJSBNNAQVSOOK-FMQUCBEESA-N -1 0 355.379 3.398 40 10 FGCBRM COc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c1O ZINC000032116534 493976045 /nfs/dbraw/zinc/97/60/45/493976045.db2.gz PDEWAKXZNLQMSO-LCYFTJDESA-N -1 0 372.377 3.212 40 10 FGCBRM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCOC3)c2=O)cc1 ZINC000032501397 493993936 /nfs/dbraw/zinc/99/39/36/493993936.db2.gz UJHDQUVTSSTEHX-UHFFFAOYSA-N -1 0 367.401 3.354 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408966927 570704605 /nfs/dbraw/zinc/70/46/05/570704605.db2.gz RHYKKUAFUHWLJX-WOJGMQOQSA-N -1 0 365.433 3.408 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cc(C)ccc2C)C1=O ZINC000409233994 570744566 /nfs/dbraw/zinc/74/45/66/570744566.db2.gz VIMKXNPFXNJSNL-RVDMUPIBSA-N -1 0 366.442 3.143 40 10 FGCBRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000005373603 207097179 /nfs/dbraw/zinc/09/71/79/207097179.db2.gz SCAGRUNJHCHNBC-WGQGCQLISA-N -1 0 365.476 3.396 40 10 FGCBRM C[C@@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000005881057 207120772 /nfs/dbraw/zinc/12/07/72/207120772.db2.gz QYMOUTRWFZLVKJ-WIWNTQSISA-N -1 0 354.793 3.125 40 10 FGCBRM CCOc1c(Cl)cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000409409938 263556753 /nfs/dbraw/zinc/55/67/53/263556753.db2.gz XXBQAZHBGDIXNB-ZROIWOOFSA-N -1 0 372.808 3.209 40 10 FGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000033634252 494062170 /nfs/dbraw/zinc/06/21/70/494062170.db2.gz IZMLQGQBOKHTFV-SFQUDFHCSA-N -1 0 365.389 3.382 40 10 FGCBRM COc1cc(C=C2SC(Nc3ccccc3C(=O)[O-])=NC2=O)ccc1O ZINC000020227034 494469649 /nfs/dbraw/zinc/46/96/49/494469649.db2.gz OVFQSEBBFNMNEZ-DHDCSXOGSA-N -1 0 370.386 3.181 40 10 FGCBRM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC000192628720 497167964 /nfs/dbraw/zinc/16/79/64/497167964.db2.gz AVQFVBKJUUILCZ-UHFFFAOYSA-N -1 0 356.403 3.323 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(F)cc3)C2=O)c(C)c1 ZINC000408529198 499591570 /nfs/dbraw/zinc/59/15/70/499591570.db2.gz IPYWLDALFKJPQI-XNTDXEJSSA-N -1 0 353.353 3.021 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408802117 499595091 /nfs/dbraw/zinc/59/50/91/499595091.db2.gz DEGPCGSJNJSIOX-FOWTUZBSSA-N -1 0 350.374 3.060 40 10 FGCBRM Cc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c(C)c1 ZINC000409148982 570732400 /nfs/dbraw/zinc/73/24/00/570732400.db2.gz VJWXCCLIZSXZDE-ZXPNPXPCSA-N -1 0 352.415 3.284 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1C ZINC000409240834 570743617 /nfs/dbraw/zinc/74/36/17/570743617.db2.gz IJVVGRIQWQUXHN-RVDMUPIBSA-N -1 0 366.442 3.143 40 10 FGCBRM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2 ZINC000004623612 207031922 /nfs/dbraw/zinc/03/19/22/207031922.db2.gz JXLVSBCVKUJJGM-AVYPCKFXSA-N -1 0 363.417 3.113 40 10 FGCBRM COc1ccccc1C=C1SC(Nc2ccccc2C(=O)[O-])=NC1=O ZINC000020226897 494469663 /nfs/dbraw/zinc/46/96/63/494469663.db2.gz XIPZCWGPDPQVPT-GDNBJRDFSA-N -1 0 354.387 3.476 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(C)ccc3C)C2=O)c(C)c1 ZINC000408535380 499591979 /nfs/dbraw/zinc/59/19/79/499591979.db2.gz SMQPIQNVTWSPDM-LFIBNONCSA-N -1 0 363.417 3.499 40 10 FGCBRM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000108013523 494634989 /nfs/dbraw/zinc/63/49/89/494634989.db2.gz QAYLPUQDBKDJLP-LFIBNONCSA-N -1 0 352.390 3.239 40 10 FGCBRM COc1cc(-n2[n-]c(C)c(C=Nc3c(C)nn(C)c3C)c2=O)ccc1Cl ZINC000408755209 499594797 /nfs/dbraw/zinc/59/47/97/499594797.db2.gz BXUARDDAUDOWJD-NTEUORMPSA-N -1 0 373.844 3.417 40 10 FGCBRM COCCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3)o2)C1=O ZINC000409126004 570729736 /nfs/dbraw/zinc/72/97/36/570729736.db2.gz DJDNXEKBJCPBFS-GDNBJRDFSA-N -1 0 373.386 3.328 40 10 FGCBRM O=C([O-])CCCN1C(=O)C(=Cc2cc3ccccc3[nH]c2=O)SC1=S ZINC000005387713 206690009 /nfs/dbraw/zinc/69/00/09/206690009.db2.gz RWWNHWYJPHDDQU-LCYFTJDESA-N -1 0 374.443 3.006 40 10 FGCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1O ZINC000005373402 207097212 /nfs/dbraw/zinc/09/72/12/207097212.db2.gz PIELGBPLRFXIGM-AUWJEWJLSA-N -1 0 373.411 3.202 40 10 FGCBRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375045 207097647 /nfs/dbraw/zinc/09/76/47/207097647.db2.gz NJVQXPNCQGFUDC-CNPFRCOSSA-N -1 0 363.460 3.200 40 10 FGCBRM CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001871056 493798992 /nfs/dbraw/zinc/79/89/92/493798992.db2.gz YMROUWWXJZVOEG-UKTHLTGXSA-N -1 0 351.449 3.151 40 10 FGCBRM Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c2ccccc2n1C ZINC000059249776 493902627 /nfs/dbraw/zinc/90/26/27/493902627.db2.gz HKGLEYSORBGRPN-ATVHPVEESA-N -1 0 373.412 3.462 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000013576304 494289323 /nfs/dbraw/zinc/28/93/23/494289323.db2.gz PXSWFOGPJIACMA-JLHYYAGUSA-N -1 0 356.765 3.015 40 10 FGCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)S1 ZINC000020265126 494469942 /nfs/dbraw/zinc/46/99/42/494469942.db2.gz QLZMWGGIDSEEMS-ZROIWOOFSA-N -1 0 369.358 3.375 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408788958 499594890 /nfs/dbraw/zinc/59/48/90/499594890.db2.gz GSDPMEYTUCBBLR-RVDMUPIBSA-N -1 0 370.792 3.405 40 10 FGCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408816672 499595100 /nfs/dbraw/zinc/59/51/00/499595100.db2.gz RZDQZLAPKZZKSC-FOWTUZBSSA-N -1 0 350.374 3.140 40 10 FGCBRM O=C1[N-]C(=O)C(=Cc2c(Cc3cccc(F)c3)ccc3ccccc32)C(=O)N1 ZINC000408876515 570694865 /nfs/dbraw/zinc/69/48/65/570694865.db2.gz POZDTCXHSAKFOI-UHFFFAOYSA-N -1 0 374.371 3.319 40 10 FGCBRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NN=C3N=CC=CC3=O)cc2)n1 ZINC000104124382 222350706 /nfs/dbraw/zinc/35/07/06/222350706.db2.gz SKYMKWHKGCGRJP-MRCUWXFGSA-N -1 0 370.394 3.102 40 10 FGCBRM N#CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000034835250 494069513 /nfs/dbraw/zinc/06/95/13/494069513.db2.gz YNDFOZZGWWXWTQ-RGEXLXHISA-N -1 0 369.380 3.204 40 10 FGCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408802296 499595079 /nfs/dbraw/zinc/59/50/79/499595079.db2.gz YBOHHVQUVIZQNM-DTQAZKPQSA-N -1 0 350.374 3.142 40 10 FGCBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408810864 499595157 /nfs/dbraw/zinc/59/51/57/499595157.db2.gz JSOJGFFQXCOXQY-GXDHUFHOSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408820113 499595245 /nfs/dbraw/zinc/59/52/45/499595245.db2.gz UAFYDTWQXKXTBB-DHDCSXOGSA-N -1 0 356.403 3.458 40 10 FGCBRM Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000408879041 570694843 /nfs/dbraw/zinc/69/48/43/570694843.db2.gz DZGFVHFNFCWVIP-NTEUORMPSA-N -1 0 370.792 3.329 40 10 FGCBRM CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(CC)cc2)C1=O ZINC000408989053 570708788 /nfs/dbraw/zinc/70/87/88/570708788.db2.gz JOVJLXVAGMFVMD-LGMDPLHJSA-N -1 0 364.401 3.314 40 10 FGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)o1 ZINC000409237529 570743119 /nfs/dbraw/zinc/74/31/19/570743119.db2.gz VBLIISZTNPCPOT-MDWZMJQESA-N -1 0 360.822 3.381 40 10 FGCBRM CC[C@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000409410096 570757192 /nfs/dbraw/zinc/75/71/92/570757192.db2.gz YVADJXIDFGBAFH-VMOJBDSFSA-N -1 0 366.417 3.334 40 10 FGCBRM Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000101566541 222277830 /nfs/dbraw/zinc/27/78/30/222277830.db2.gz QTTDZDKFEMOZEY-GBIKHYSHSA-N -1 0 355.175 3.138 40 10 FGCBRM COc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1O ZINC000059135689 493902772 /nfs/dbraw/zinc/90/27/72/493902772.db2.gz IMYRRHDFCGKEBQ-LUAWRHEFSA-N -1 0 372.377 3.212 40 10 FGCBRM Cc1ccc(N2C(=O)/C(=C\c3ccn(C)c3)SC2=S)cc1C(=O)[O-] ZINC000005374027 493926711 /nfs/dbraw/zinc/92/67/11/493926711.db2.gz ROEQWOCKDRQQHL-VGOFMYFVSA-N -1 0 358.444 3.438 40 10 FGCBRM C=CCOc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl ZINC000107920257 494623052 /nfs/dbraw/zinc/62/30/52/494623052.db2.gz XRPKUIINCTZFMG-PTNGSMBKSA-N -1 0 354.793 3.366 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408805577 499595200 /nfs/dbraw/zinc/59/52/00/499595200.db2.gz GWHSCXDQDZEHDV-NTEUORMPSA-N -1 0 370.792 3.323 40 10 FGCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000408819082 499595216 /nfs/dbraw/zinc/59/52/16/499595216.db2.gz YCIMOIMQALUKQN-GHRIWEEISA-N -1 0 364.401 3.450 40 10 FGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408865483 570693700 /nfs/dbraw/zinc/69/37/00/570693700.db2.gz CSACEGNLLVGPMA-LFIBNONCSA-N -1 0 370.792 3.405 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408868372 570693943 /nfs/dbraw/zinc/69/39/43/570693943.db2.gz MGEDICXDUXZEAC-SFQUDFHCSA-N -1 0 350.374 3.060 40 10 FGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1 ZINC000408981340 570707310 /nfs/dbraw/zinc/70/73/10/570707310.db2.gz AUVALGPGJXTRMV-PDGQHHTCSA-N -1 0 364.401 3.232 40 10 FGCBRM CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000016160732 211156743 /nfs/dbraw/zinc/15/67/43/211156743.db2.gz IIZFTERXRCGJKU-DHDCSXOGSA-N -1 0 371.780 3.462 40 10 FGCBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000001192605 132380847 /nfs/dbraw/zinc/38/08/47/132380847.db2.gz LYEYBSVNDFVEIX-XNTDXEJSSA-N -1 0 356.765 3.015 40 10 FGCBRM COc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000059106158 493902229 /nfs/dbraw/zinc/90/22/29/493902229.db2.gz YSFNLLNKSLDBOD-LCYFTJDESA-N -1 0 356.309 3.047 40 10 FGCBRM CCc1nc(SC(=Cc2ccc(N(CC)CC)cc2O)C(=O)[O-])n[nH]1 ZINC000007342411 494016362 /nfs/dbraw/zinc/01/63/62/494016362.db2.gz YJONDTUTZJXGIV-ZROIWOOFSA-N -1 0 362.455 3.137 40 10 FGCBRM Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1C(N)=O ZINC000223282121 497035509 /nfs/dbraw/zinc/03/55/09/497035509.db2.gz RCGAGYIAQVGQDQ-UHFFFAOYSA-N -1 0 373.459 3.018 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2cccc(Cl)c2)C1=O ZINC000408534143 499591675 /nfs/dbraw/zinc/59/16/75/499591675.db2.gz UZRPJNPDAHMVBE-RVDMUPIBSA-N -1 0 369.808 3.481 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408799750 499594782 /nfs/dbraw/zinc/59/47/82/499594782.db2.gz IFJOTTQFURYQPA-OQLLNIDSSA-N -1 0 370.792 3.323 40 10 FGCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O ZINC000408893311 570696237 /nfs/dbraw/zinc/69/62/37/570696237.db2.gz DSMRSBUTAHNVMZ-MDWZMJQESA-N -1 0 356.765 3.020 40 10 FGCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O ZINC000408902551 570697509 /nfs/dbraw/zinc/69/75/09/570697509.db2.gz JQSFTBPEVLPVLB-LFIBNONCSA-N -1 0 368.364 3.279 40 10 FGCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1F ZINC000409148950 263534659 /nfs/dbraw/zinc/53/46/59/263534659.db2.gz UXIXFYQVHVZRKD-OVCLIPMQSA-N -1 0 374.393 3.354 40 10 FGCBRM COc1ccc(N2C(=O)C(=Cc3ccc(O)cc3)C(=O)[N-]C2=S)cc1 ZINC000038180991 494111759 /nfs/dbraw/zinc/11/17/59/494111759.db2.gz BHRMMFLIPGCPOU-GDNBJRDFSA-N -1 0 354.387 3.072 40 10 FGCBRM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccco1 ZINC000408722327 499594656 /nfs/dbraw/zinc/59/46/56/499594656.db2.gz HGLYAGKANGTOCS-JXMROGBWSA-N -1 0 367.213 3.418 40 10 FGCBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408865378 570693852 /nfs/dbraw/zinc/69/38/52/570693852.db2.gz DEJZDPSQZZITRE-OQLLNIDSSA-N -1 0 370.792 3.323 40 10 FGCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccoc1 ZINC000409090581 570722233 /nfs/dbraw/zinc/72/22/33/570722233.db2.gz RJKBOPBKKPDTNH-RMKNXTFCSA-N -1 0 351.145 3.253 40 10 FGCBRM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000033323393 494058382 /nfs/dbraw/zinc/05/83/82/494058382.db2.gz FSUULLGJESJFBJ-ZRQJSYPSSA-N -1 0 369.764 3.266 40 10 FGCBRM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3nc(-c4ccccc4)cs3)cc2o1 ZINC000170552777 496720251 /nfs/dbraw/zinc/72/02/51/496720251.db2.gz FXUDYDRDFJRGCR-UHFFFAOYSA-N -1 0 373.415 3.045 40 10 FGCBRM CC(C)COc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000408600532 499592748 /nfs/dbraw/zinc/59/27/48/499592748.db2.gz CPVPHLMGJVUMCR-QPEQYQDCSA-N -1 0 351.449 3.007 40 10 FGCBRM CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408785038 499594735 /nfs/dbraw/zinc/59/47/35/499594735.db2.gz XEUUVBILOKAFST-LFIBNONCSA-N -1 0 352.415 3.383 40 10 FGCBRM CCOc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000408877450 570694672 /nfs/dbraw/zinc/69/46/72/570694672.db2.gz VYSYLEJGGHPJQY-MHWRWJLKSA-N -1 0 370.792 3.405 40 10 FGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccco2)C1=O ZINC000409251225 570746683 /nfs/dbraw/zinc/74/66/83/570746683.db2.gz UDVPTSTUTBHKOX-MUGKHDKNSA-N -1 0 356.765 3.464 40 10 FGCBRM O=C([O-])CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000000966826 219347468 /nfs/dbraw/zinc/34/74/68/219347468.db2.gz LNSRBGSDKMPINU-JXMROGBWSA-N -1 0 372.265 3.125 40 10 FGCBRM Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccccc1C(=O)[O-] ZINC000015228778 220150121 /nfs/dbraw/zinc/15/01/21/220150121.db2.gz DHWGTJRXFFWLQH-DHDCSXOGSA-N -1 0 356.403 3.458 40 10 FGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000059135778 493902647 /nfs/dbraw/zinc/90/26/47/493902647.db2.gz RYOXGWAPXMETPU-FMIVXFBMSA-N -1 0 371.349 3.406 40 10 FGCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C/c2cccnc2)SC1=S ZINC000005372342 493927147 /nfs/dbraw/zinc/92/71/47/493927147.db2.gz BBHWOVLQSNUCMV-AUWJEWJLSA-N -1 0 356.428 3.494 40 10 FGCBRM CCN1C(=O)/C(=C/c2c3ccc(OC)cc3[nH]c2C(=O)[O-])SC1=S ZINC000256055674 528942539 /nfs/dbraw/zinc/94/25/39/528942539.db2.gz PGODXZSLQQVPKM-GHXNOFRVSA-N -1 0 362.432 3.096 40 10 FGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(C)c3)C2=O)cc1 ZINC000408986926 570708320 /nfs/dbraw/zinc/70/83/20/570708320.db2.gz NVGVSVGDTJZKFH-ATVHPVEESA-N -1 0 364.401 3.232 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000409134607 570731059 /nfs/dbraw/zinc/73/10/59/570731059.db2.gz WOFKLMKCXUUAOG-LFIBNONCSA-N -1 0 366.442 3.143 40 10 FGCBRM CCN1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O ZINC000001163442 219383861 /nfs/dbraw/zinc/38/38/61/219383861.db2.gz PKCSSTUWGJHRHQ-VZUCSPMQSA-N -1 0 362.183 3.252 40 10 FGCBRM Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000104230891 222352734 /nfs/dbraw/zinc/35/27/34/222352734.db2.gz OXFDNFJVBHIBOG-MJWGMMHASA-N -1 0 351.322 3.106 40 10 FGCBRM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000104975288 222363585 /nfs/dbraw/zinc/36/35/85/222363585.db2.gz BJEUIDWNNLPRGL-OQLLNIDSSA-N -1 0 371.780 3.462 40 10 FGCBRM CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)C1=O ZINC000059109652 493902857 /nfs/dbraw/zinc/90/28/57/493902857.db2.gz XGGJXRFLGPHQGE-GZTJUZNOSA-N -1 0 366.417 3.356 40 10 FGCBRM Cn1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000005373994 493926921 /nfs/dbraw/zinc/92/69/21/493926921.db2.gz GAUJTMLMYHWOMV-SSUFTNFISA-N -1 0 358.444 3.052 40 10 FGCBRM O=C([O-])COc1cccc(C=C2SC(Nc3ccccc3F)=NC2=O)c1 ZINC000210431309 496975673 /nfs/dbraw/zinc/97/56/73/496975673.db2.gz MWNNEUYDDMGNFI-DHDCSXOGSA-N -1 0 372.377 3.372 40 10 FGCBRM CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(=O)[O-] ZINC000408798698 499594829 /nfs/dbraw/zinc/59/48/29/499594829.db2.gz WPOKCWDLWARVPN-YBEGLDIGSA-N -1 0 357.406 3.104 40 10 FGCBRM CC(=C\c1ccco1)/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000408917611 499595266 /nfs/dbraw/zinc/59/52/66/499595266.db2.gz YIXHQLUEOIONIQ-ZLPZIFTNSA-N -1 0 356.378 3.196 40 10 FGCBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1 ZINC000408878424 570694833 /nfs/dbraw/zinc/69/48/33/570694833.db2.gz AOJUQCWMIBFFEY-LGMDPLHJSA-N -1 0 364.401 3.314 40 10 FGCBRM Cc1cc(C)cc(Cc2ccc(Cl)cc2C=C2C(=O)[N-]C(=O)NC2=O)c1 ZINC000408878475 570694884 /nfs/dbraw/zinc/69/48/84/570694884.db2.gz BCIHKDUEZHOJEN-UHFFFAOYSA-N -1 0 368.820 3.297 40 10 FGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(C)s2)C1=O ZINC000409239752 570743554 /nfs/dbraw/zinc/74/35/54/570743554.db2.gz DWYFHEVMZHVARC-JLHYYAGUSA-N -1 0 356.403 3.122 40 10 FGCBRM Cc1ccc(C)c(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c1 ZINC000409246074 570745308 /nfs/dbraw/zinc/74/53/08/570745308.db2.gz DMPZNDYRHYWTQO-ZXPNPXPCSA-N -1 0 352.415 3.284 40 10 FGCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C(=O)N1 ZINC000018255989 211197061 /nfs/dbraw/zinc/19/70/61/211197061.db2.gz QKIIJMCRQXHKJH-FMQUCBEESA-N -1 0 371.378 3.104 40 10 FGCBRM Cc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)o1 ZINC000409339514 263548976 /nfs/dbraw/zinc/54/89/76/263548976.db2.gz JJFQAENEXZBKPN-YRNVUSSQSA-N -1 0 350.446 3.196 40 10 FGCBRM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000005373556 493927281 /nfs/dbraw/zinc/92/72/81/493927281.db2.gz XEJGPWJVWNQYOX-WGQGCQLISA-N -1 0 365.476 3.396 40 10 FGCBRM CC[C@@H](C)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000109425797 494871733 /nfs/dbraw/zinc/87/17/33/494871733.db2.gz OOVJGJKGUBXBCM-GPLLRDDGSA-N -1 0 367.405 3.368 40 10 FGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408777317 499594847 /nfs/dbraw/zinc/59/48/47/499594847.db2.gz YGOVICHWMLATCS-ZROIWOOFSA-N -1 0 370.792 3.323 40 10 FGCBRM Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000408774282 499594928 /nfs/dbraw/zinc/59/49/28/499594928.db2.gz BXAKTXGEXPHDAU-MDWZMJQESA-N -1 0 372.833 3.185 40 10 FGCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)o1 ZINC000408818858 499595169 /nfs/dbraw/zinc/59/51/69/499595169.db2.gz QVEXMXIPDMFSSS-FOWTUZBSSA-N -1 0 367.405 3.101 40 10 FGCBRM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1C ZINC000408820533 499595263 /nfs/dbraw/zinc/59/52/63/499595263.db2.gz YISXSSUKQWOKJM-NVNXTCNLSA-N -1 0 356.403 3.425 40 10 FGCBRM CCCOc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408885257 263503940 /nfs/dbraw/zinc/50/39/40/263503940.db2.gz YJBWYLRMMLCPJM-SSZFMOIBSA-N -1 0 366.442 3.307 40 10 FGCBRM CCc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O ZINC000408535246 499592003 /nfs/dbraw/zinc/59/20/03/499592003.db2.gz YCPXJQVJWCJSLX-DTQAZKPQSA-N -1 0 363.417 3.390 40 10 FGCBRM COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(=O)[O-] ZINC000408995252 499595394 /nfs/dbraw/zinc/59/53/94/499595394.db2.gz BDLMURWKUFLJSZ-ATVHPVEESA-N -1 0 363.369 3.262 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000408807770 263497433 /nfs/dbraw/zinc/49/74/33/263497433.db2.gz KYMSGOXRHQHASX-ACCUITESSA-N -1 0 370.792 3.405 40 10 FGCBRM CC(C)COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000408601490 499592737 /nfs/dbraw/zinc/59/27/37/499592737.db2.gz KGPUVWFCBXARQU-SFQUDFHCSA-N -1 0 364.401 3.388 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408815479 499595174 /nfs/dbraw/zinc/59/51/74/499595174.db2.gz RKJJOMUZGMVGDG-OQLLNIDSSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1cc(C)cc(Cc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)cc2Cl)c1 ZINC000408866649 570693720 /nfs/dbraw/zinc/69/37/20/570693720.db2.gz HPRUHOFZULTIJM-UHFFFAOYSA-N -1 0 368.820 3.297 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408876496 570694659 /nfs/dbraw/zinc/69/46/59/570694659.db2.gz LOOHYGKLFUSUAU-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM Cn1cccc1/C=C1/SC(=S)N(c2ccc(CC(=O)[O-])cc2)C1=O ZINC000004291554 219562141 /nfs/dbraw/zinc/56/21/41/219562141.db2.gz IBHAJDOULMFEBJ-GXDHUFHOSA-N -1 0 358.444 3.058 40 10 FGCBRM COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000101568103 222277736 /nfs/dbraw/zinc/27/77/36/222277736.db2.gz SARVXNONKJZWEN-SDQBBNPISA-N -1 0 368.436 3.166 40 10 FGCBRM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375019 493927907 /nfs/dbraw/zinc/92/79/07/493927907.db2.gz ZBDQNTOLIHPORX-IAOKNECISA-N -1 0 363.460 3.200 40 10 FGCBRM CCc1nc(SC(=Cc2ccc(N3CCCC3)cc2C)C(=O)[O-])n[nH]1 ZINC000007342620 494017046 /nfs/dbraw/zinc/01/70/46/494017046.db2.gz JWLYSHFLFONDSK-RVDMUPIBSA-N -1 0 358.467 3.494 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(C)cc2C)C1=O ZINC000408533261 499591518 /nfs/dbraw/zinc/59/15/18/499591518.db2.gz RTZGFCYMXRCHTI-FOWTUZBSSA-N -1 0 363.417 3.445 40 10 FGCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408867174 570693636 /nfs/dbraw/zinc/69/36/36/570693636.db2.gz JEPCDLIFADANLB-OQLLNIDSSA-N -1 0 370.792 3.323 40 10 FGCBRM CCn1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409207783 570739218 /nfs/dbraw/zinc/73/92/18/570739218.db2.gz ZWXHVBDDSVQYDK-WJDWOHSUSA-N -1 0 351.406 3.066 40 10 FGCBRM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2ccc(O)cc2)S1 ZINC000020226892 220320370 /nfs/dbraw/zinc/32/03/70/220320370.db2.gz UOSHAZXGNIJERC-NVNXTCNLSA-N -1 0 354.387 3.481 40 10 FGCBRM Cn1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC000005373998 493926877 /nfs/dbraw/zinc/92/68/77/493926877.db2.gz GAUJTMLMYHWOMV-KADHNRKRSA-N -1 0 358.444 3.052 40 10 FGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl ZINC000408780189 499594917 /nfs/dbraw/zinc/59/49/17/499594917.db2.gz VBEUCEKKHLTDPY-FLIBITNWSA-N -1 0 374.755 3.154 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408847921 570691661 /nfs/dbraw/zinc/69/16/61/570691661.db2.gz WWSIYDZJNDZLMZ-XYOKQWHBSA-N -1 0 362.719 3.285 40 10 FGCBRM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000408873809 570694401 /nfs/dbraw/zinc/69/44/01/570694401.db2.gz VYKHQSABUYGGON-UVTDQMKNSA-N -1 0 372.833 3.180 40 10 FGCBRM O=C([N-]N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1cccs1 ZINC000409345112 570751693 /nfs/dbraw/zinc/75/16/93/570751693.db2.gz KHNOODYISBNDKU-XYOKQWHBSA-N -1 0 364.448 3.433 40 10 FGCBRM Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000101566546 222277685 /nfs/dbraw/zinc/27/76/85/222277685.db2.gz QTTDZDKFEMOZEY-GIPNMCIBSA-N -1 0 355.175 3.138 40 10 FGCBRM Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1 ZINC000104124346 222350473 /nfs/dbraw/zinc/35/04/73/222350473.db2.gz TYXHQWIUGPWYLC-MRCUWXFGSA-N -1 0 370.394 3.102 40 10 FGCBRM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1O ZINC000059136450 263416502 /nfs/dbraw/zinc/41/65/02/263416502.db2.gz PDYFLTWHDYHZRM-DHZHZOJOSA-N -1 0 372.377 3.212 40 10 FGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000005373563 493927120 /nfs/dbraw/zinc/92/71/20/493927120.db2.gz XEJGPWJVWNQYOX-NEQSRXPGSA-N -1 0 365.476 3.396 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000005593111 493936302 /nfs/dbraw/zinc/93/63/02/493936302.db2.gz WQVKADBMIWAFSP-ACCUITESSA-N -1 0 370.405 3.056 40 10 FGCBRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1F ZINC000033708835 494062189 /nfs/dbraw/zinc/06/21/89/494062189.db2.gz BJCMHWOKALDLTF-AQTBWJFISA-N -1 0 365.408 3.277 40 10 FGCBRM CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000101148850 222264160 /nfs/dbraw/zinc/26/41/60/222264160.db2.gz JBRLTLUCENDCHL-MHWRWJLKSA-N -1 0 351.362 3.117 40 10 FGCBRM CC(C)Oc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000408866467 263503035 /nfs/dbraw/zinc/50/30/35/263503035.db2.gz HNNHXTQLCLUWPT-KAMYIIQDSA-N -1 0 368.364 3.279 40 10 FGCBRM CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1 ZINC000005373636 493927327 /nfs/dbraw/zinc/92/73/27/493927327.db2.gz DDUGJAULLCKRIZ-XXYUJHKVSA-N -1 0 365.476 3.396 40 10 FGCBRM O=C([O-])c1ccc(COc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 ZINC000408530467 499591701 /nfs/dbraw/zinc/59/17/01/499591701.db2.gz LXJWPUADZJNNOW-DHDCSXOGSA-N -1 0 371.439 3.453 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1C ZINC000408785996 499594878 /nfs/dbraw/zinc/59/48/78/499594878.db2.gz DJTGPONPKXTWSI-RIYZIHGNSA-N -1 0 370.792 3.329 40 10 FGCBRM COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1C(=O)[O-] ZINC000408768434 499594937 /nfs/dbraw/zinc/59/49/37/499594937.db2.gz JBPDKZGJSWBVLU-ATVHPVEESA-N -1 0 369.417 3.390 40 10 FGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408875733 570694762 /nfs/dbraw/zinc/69/47/62/570694762.db2.gz KJODFVYVFXDILV-XNTDXEJSSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000408963385 570704123 /nfs/dbraw/zinc/70/41/23/570704123.db2.gz ZFKZEZCEJYNISW-LICLKQGHSA-N -1 0 369.396 3.491 40 10 FGCBRM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408968241 570705034 /nfs/dbraw/zinc/70/50/34/570705034.db2.gz XNCRJVFLGYHSQI-YRNVUSSQSA-N -1 0 350.758 3.207 40 10 FGCBRM CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(O)c(C(=O)[O-])c1 ZINC000016160729 220179914 /nfs/dbraw/zinc/17/99/14/220179914.db2.gz BJEUIDWNNLPRGL-DHDCSXOGSA-N -1 0 371.780 3.462 40 10 FGCBRM [O-]c1c(O)c(O)c(Br)c(Br)c1Br ZINC000001747827 493798395 /nfs/dbraw/zinc/79/83/95/493798395.db2.gz ARJKUIKBPQATMT-UHFFFAOYSA-N -1 0 362.799 3.091 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408818356 499595251 /nfs/dbraw/zinc/59/52/51/499595251.db2.gz XQYVGAQYODRYOU-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1 ZINC000408965442 570704675 /nfs/dbraw/zinc/70/46/75/570704675.db2.gz HNMVBKNDKCJHRA-XYOKQWHBSA-N -1 0 362.794 3.077 40 10 FGCBRM O=C1NC(=S)S/C1=C\c1cc(Br)cc(Cl)c1[O-] ZINC000013476303 220069639 /nfs/dbraw/zinc/06/96/39/220069639.db2.gz UCJRZERBHWQWEO-UQCOIBPSSA-N -1 0 350.646 3.297 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2Cl)C1=O ZINC000059502718 493907372 /nfs/dbraw/zinc/90/73/72/493907372.db2.gz LDQPUWFCSKVHRU-ZRDIBKRKSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1cc(C(=O)[O-])ccc1C ZINC000005571088 493935286 /nfs/dbraw/zinc/93/52/86/493935286.db2.gz MOUCTFQOWSJBKV-NVNXTCNLSA-N -1 0 356.403 3.425 40 10 FGCBRM Cc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000005678868 493939746 /nfs/dbraw/zinc/93/97/46/493939746.db2.gz LWTZTVSTHLFADX-LICLKQGHSA-N -1 0 352.365 3.417 40 10 FGCBRM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000408915049 499595094 /nfs/dbraw/zinc/59/50/94/499595094.db2.gz UCVQDYPCTOZJET-MHWRWJLKSA-N -1 0 363.348 3.282 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000408994070 499595608 /nfs/dbraw/zinc/59/56/08/499595608.db2.gz YGNRZFWKAPMDGE-FOWTUZBSSA-N -1 0 366.442 3.225 40 10 FGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2cccc(O)c2)C1=O ZINC000408938260 570701651 /nfs/dbraw/zinc/70/16/51/570701651.db2.gz PRLFULNNDOJBDV-LCYFTJDESA-N -1 0 356.765 3.020 40 10 FGCBRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000005373551 204206328 /nfs/dbraw/zinc/20/63/28/204206328.db2.gz XEJGPWJVWNQYOX-WXHLEUTKSA-N -1 0 365.476 3.396 40 10 FGCBRM O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000104124291 205997701 /nfs/dbraw/zinc/99/77/01/205997701.db2.gz KIJSBNNAQVSOOK-VXPUYCOJSA-N -1 0 355.379 3.398 40 10 FGCBRM Cc1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000004718876 206182082 /nfs/dbraw/zinc/18/20/82/206182082.db2.gz MIDBIFHKQBAFHK-GDNBJRDFSA-N -1 0 357.207 3.219 40 10 FGCBRM CCOc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)cc1OC ZINC000034718827 494067877 /nfs/dbraw/zinc/06/78/77/494067877.db2.gz XNEGZVHIOZRQJA-GDNBJRDFSA-N -1 0 372.808 3.209 40 10 FGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000408816224 499595114 /nfs/dbraw/zinc/59/51/14/499595114.db2.gz SZFMMYVFDXYXNT-LDADJPATSA-N -1 0 364.401 3.449 40 10 FGCBRM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408962431 499595483 /nfs/dbraw/zinc/59/54/83/499595483.db2.gz RYAGCAZUKIPNMY-FKKWJZCKSA-N -1 0 362.385 3.226 40 10 FGCBRM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000409014616 499595836 /nfs/dbraw/zinc/59/58/36/499595836.db2.gz XPGHZXCECJPSRM-NTUHNPAUSA-N -1 0 363.391 3.372 40 10 FGCBRM CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccncc3)C2=O)c2ccccc21 ZINC000409392114 263555551 /nfs/dbraw/zinc/55/55/51/263555551.db2.gz LEMDFZDMUFYWGY-GZTJUZNOSA-N -1 0 374.400 3.284 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000006355113 493960190 /nfs/dbraw/zinc/96/01/90/493960190.db2.gz RHDKYRLIULJFHL-FOWTUZBSSA-N -1 0 350.374 3.060 40 10 FGCBRM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=CNc1ccc2ccccc2c1 ZINC000408547099 499591873 /nfs/dbraw/zinc/59/18/73/499591873.db2.gz VWGTXPUIVGSSKJ-BOPFTXTBSA-N -1 0 361.357 3.007 40 10 FGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000408778899 499594911 /nfs/dbraw/zinc/59/49/11/499594911.db2.gz ZJVJDRJTNURWQS-NTEUORMPSA-N -1 0 370.792 3.274 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1C ZINC000409072808 499595646 /nfs/dbraw/zinc/59/56/46/499595646.db2.gz LEEUNYKXTAHTCH-GZTJUZNOSA-N -1 0 351.406 3.100 40 10 FGCBRM C[C@@H]1Cc2cc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)ccc2O1 ZINC000588228539 506243573 /nfs/dbraw/zinc/24/35/73/506243573.db2.gz LOHFBMADEYULMM-WWNSAXIVSA-N -1 0 372.783 3.264 40 10 FGCBRM Cc1c(Cl)cccc1N1C(=O)[N-]C(=O)C(=Cc2ccccc2O)C1=O ZINC000408890467 570695253 /nfs/dbraw/zinc/69/52/53/570695253.db2.gz UGGBGHPBKMRKBB-FMIVXFBMSA-N -1 0 356.765 3.020 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1C ZINC000408898447 570696499 /nfs/dbraw/zinc/69/64/99/570696499.db2.gz LJYAVFUVTANUOS-OQLLNIDSSA-N -1 0 370.792 3.329 40 10 FGCBRM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2 ZINC000004623606 204150888 /nfs/dbraw/zinc/15/08/88/204150888.db2.gz JXLVSBCVKUJJGM-MDOVXXIYSA-N -1 0 363.417 3.113 40 10 FGCBRM Cc1cc(I)cc2c1N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21 ZINC000004817417 204165467 /nfs/dbraw/zinc/16/54/67/204165467.db2.gz QTTDZDKFEMOZEY-OUJBWJOFSA-N -1 0 355.175 3.138 40 10 FGCBRM O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Br)c1[O-] ZINC000013476307 206302942 /nfs/dbraw/zinc/30/29/42/206302942.db2.gz PCXDHHTZCKUWJH-UQCOIBPSSA-N -1 0 350.646 3.297 40 10 FGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O ZINC000006479420 263345229 /nfs/dbraw/zinc/34/52/29/263345229.db2.gz LPIXLVNWAALHHH-SFQUDFHCSA-N -1 0 364.401 3.449 40 10 FGCBRM COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000059435440 493906787 /nfs/dbraw/zinc/90/67/87/493906787.db2.gz ZVIYYTAYQVBHBZ-ATVHPVEESA-N -1 0 369.417 3.390 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000408780606 499594902 /nfs/dbraw/zinc/59/49/02/499594902.db2.gz GBCXPVYIXXSBLS-UKTHLTGXSA-N -1 0 358.756 3.454 40 10 FGCBRM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408852832 570691984 /nfs/dbraw/zinc/69/19/84/570691984.db2.gz JBUYYRCUSIAGEL-VQHVLOKHSA-N -1 0 366.826 3.372 40 10 FGCBRM CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409245571 570744952 /nfs/dbraw/zinc/74/49/52/570744952.db2.gz VZLPGJZCQLCFMJ-SFQUDFHCSA-N -1 0 367.474 3.463 40 10 FGCBRM CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000408941565 570701576 /nfs/dbraw/zinc/70/15/76/570701576.db2.gz XBRBMRFLKCOHMV-LGMDPLHJSA-N -1 0 350.374 3.142 40 10 FGCBRM CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409088307 570721440 /nfs/dbraw/zinc/72/14/40/570721440.db2.gz KYKOTUKQADDAAE-JLHYYAGUSA-N -1 0 373.865 3.301 40 10 FGCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375012 204205527 /nfs/dbraw/zinc/20/55/27/204205527.db2.gz LIIIRNSDVMUKBV-GFAPJHNFSA-N -1 0 363.460 3.344 40 10 FGCBRM Cc1ccc(C(=O)[O-])cc1N1C(=O)/C(=C\c2cccn2C)SC1=S ZINC000005371643 204206067 /nfs/dbraw/zinc/20/60/67/204206067.db2.gz DSDYGEFJZUUJCY-NTEUORMPSA-N -1 0 358.444 3.438 40 10 FGCBRM Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223508016 132279689 /nfs/dbraw/zinc/27/96/89/132279689.db2.gz IBLMJWWSHUOUDJ-UHFFFAOYSA-N -1 0 367.449 3.155 40 10 FGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408804618 263496138 /nfs/dbraw/zinc/49/61/38/263496138.db2.gz YYAZNJLJKMTQEL-GHRIWEEISA-N -1 0 350.374 3.142 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408784459 499594751 /nfs/dbraw/zinc/59/47/51/499594751.db2.gz RHWOVLQMWRWLCS-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM CCCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408796108 499594766 /nfs/dbraw/zinc/59/47/66/499594766.db2.gz DREFDPJDAJLZEN-GHRIWEEISA-N -1 0 364.401 3.450 40 10 FGCBRM Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)[N-]C1=S ZINC000408780315 499594862 /nfs/dbraw/zinc/59/48/62/499594862.db2.gz XFGVZMGVQRZDLL-XYOKQWHBSA-N -1 0 372.833 3.185 40 10 FGCBRM COc1ccc(N2C(=O)/C(=C\c3ccccc3Cl)C(=O)[N-]C2=S)cc1 ZINC000408762733 499594979 /nfs/dbraw/zinc/59/49/79/499594979.db2.gz LBCSNDALYQMSJE-UVTDQMKNSA-N -1 0 372.833 3.180 40 10 FGCBRM CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)[N-]C2=S)cc1 ZINC000408993771 499595519 /nfs/dbraw/zinc/59/55/19/499595519.db2.gz FPDRBOFXUPWLFM-GXDHUFHOSA-N -1 0 372.471 3.287 40 10 FGCBRM CCc1ccc(N2C(=O)/C(=C/c3sccc3C)C(=O)[N-]C2=S)cc1 ZINC000408992341 499595568 /nfs/dbraw/zinc/59/55/68/499595568.db2.gz AIUWZSQSHGUMMN-GXDHUFHOSA-N -1 0 356.472 3.450 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O ZINC000409134147 570730819 /nfs/dbraw/zinc/73/08/19/570730819.db2.gz MYJQMRHICPSAOI-RVDMUPIBSA-N -1 0 366.442 3.143 40 10 FGCBRM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S ZINC000004745779 204160818 /nfs/dbraw/zinc/16/08/18/204160818.db2.gz RRAQXCYZVBFMBU-ONBLTVQMSA-N -1 0 353.852 3.484 40 10 FGCBRM CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000005947709 493946161 /nfs/dbraw/zinc/94/61/61/493946161.db2.gz WTNRNYFMMMWPEP-GZTJUZNOSA-N -1 0 367.405 3.425 40 10 FGCBRM O=C([O-])c1csc(-n2nc(-c3ccc(O)c(O)c3)cc2C(F)(F)F)n1 ZINC000033413663 494060137 /nfs/dbraw/zinc/06/01/37/494060137.db2.gz NXBLMXWDCUOCJA-UHFFFAOYSA-N -1 0 371.296 3.124 40 10 FGCBRM CCc1ccc(N2C(=O)C(=Cc3ccc(O)c(O)c3)C(=O)[N-]C2=S)cc1 ZINC000038177212 494111712 /nfs/dbraw/zinc/11/17/12/494111712.db2.gz ZQDTYLIANBRVOA-NTEUORMPSA-N -1 0 368.414 3.332 40 10 FGCBRM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408997636 570709872 /nfs/dbraw/zinc/70/98/72/570709872.db2.gz HOWXNGNCFXFFOC-NVNXTCNLSA-N -1 0 371.824 3.148 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c1C ZINC000409088320 570721782 /nfs/dbraw/zinc/72/17/82/570721782.db2.gz LBAOEJYCCQLYPY-GZTJUZNOSA-N -1 0 367.474 3.265 40 10 FGCBRM O=C([O-])Cc1ccc(N2C(=O)/C(=C/c3ccncc3)SC2=S)cc1 ZINC000004193752 204127949 /nfs/dbraw/zinc/12/79/49/204127949.db2.gz TUMVMYLEAAHBJD-ZROIWOOFSA-N -1 0 356.428 3.115 40 10 FGCBRM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(C=O)cc2)SC1=S ZINC000005375020 204205656 /nfs/dbraw/zinc/20/56/56/204205656.db2.gz ZBDQNTOLIHPORX-HRYODUOUSA-N -1 0 363.460 3.200 40 10 FGCBRM NS(=O)(=O)c1ccc(NN=C2C=c3ccccc3=C(C(=O)[O-])C2=O)cc1 ZINC000013099120 494279513 /nfs/dbraw/zinc/27/95/13/494279513.db2.gz ROSNSSVBDFGLGW-VXPUYCOJSA-N -1 0 371.374 3.306 40 10 in-vitro FGCBRM Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000108995510 494818337 /nfs/dbraw/zinc/81/83/37/494818337.db2.gz MGWRVOLIJAFEJP-ATVHPVEESA-N -1 0 365.408 3.196 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408817038 499595303 /nfs/dbraw/zinc/59/53/03/499595303.db2.gz ZNSYDBHQIYVASC-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408871614 570694378 /nfs/dbraw/zinc/69/43/78/570694378.db2.gz HUDDNXNHWQJKGA-CXUHLZMHSA-N -1 0 370.792 3.323 40 10 FGCBRM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2 ZINC000004623609 204150458 /nfs/dbraw/zinc/15/04/58/204150458.db2.gz JXLVSBCVKUJJGM-BXTJHSDWSA-N -1 0 363.417 3.113 40 10 FGCBRM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005371234 204205560 /nfs/dbraw/zinc/20/55/60/204205560.db2.gz BKVBUWDYAXIFQC-YFBAIUBQSA-N -1 0 351.449 3.093 40 10 FGCBRM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000005373601 204205806 /nfs/dbraw/zinc/20/58/06/204205806.db2.gz SCAGRUNJHCHNBC-WXHLEUTKSA-N -1 0 365.476 3.396 40 10 FGCBRM Cc1ccc(N2[N-]C(=O)/C(=C\c3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000000779677 206132973 /nfs/dbraw/zinc/13/29/73/206132973.db2.gz WNMHJUTWXNPPLZ-MKMNVTDBSA-N -1 0 370.792 3.147 40 10 FGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016157347 494380451 /nfs/dbraw/zinc/38/04/51/494380451.db2.gz RMFAKWGDVHOSGV-GDNBJRDFSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000104230882 495272407 /nfs/dbraw/zinc/27/24/07/495272407.db2.gz OXFDNFJVBHIBOG-AMGRQBIBSA-N -1 0 351.322 3.106 40 10 FGCBRM O=C([O-])COc1ccc(C=C2SC(Nc3ccccc3F)=NC2=O)cc1 ZINC000210412010 496976087 /nfs/dbraw/zinc/97/60/87/496976087.db2.gz UZMLURGHXIXZJC-DHDCSXOGSA-N -1 0 372.377 3.372 40 10 FGCBRM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(O)cc1 ZINC000408531362 499591585 /nfs/dbraw/zinc/59/15/85/499591585.db2.gz NUOSFTVBOQXGOT-SFQUDFHCSA-N -1 0 373.368 3.124 40 10 FGCBRM CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000409345924 570753028 /nfs/dbraw/zinc/75/30/28/570753028.db2.gz MDZAEJXRLZLMRY-SEEODLKFSA-N -1 0 351.449 3.150 40 10 FGCBRM O=C([O-])c1cccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c1 ZINC000000857529 209378284 /nfs/dbraw/zinc/37/82/84/209378284.db2.gz GATRTEBLRZYUDV-UHFFFAOYSA-N -1 0 368.341 3.399 40 10 FGCBRM COc1ccc(/C=C2\SC(=S)N([C@H](CC(C)C)C(=O)[O-])C2=O)cc1 ZINC000005284633 207091702 /nfs/dbraw/zinc/09/17/02/207091702.db2.gz OOUBYGCUIICOLA-CKXDQPNJSA-N -1 0 365.476 3.396 40 10 FGCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000005373598 207096910 /nfs/dbraw/zinc/09/69/10/207096910.db2.gz SCAGRUNJHCHNBC-OIQXIXSWSA-N -1 0 365.476 3.396 40 10 FGCBRM Cc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1 ZINC000100962680 132233591 /nfs/dbraw/zinc/23/35/91/132233591.db2.gz VYQHAVCFOCWULI-RVDMUPIBSA-N -1 0 351.431 3.047 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408884348 263504524 /nfs/dbraw/zinc/50/45/24/263504524.db2.gz YPJPLMJRFVBHQR-UVTDQMKNSA-N -1 0 370.792 3.274 40 10 FGCBRM O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc([N+](=O)[O-])cc2)S1 ZINC000020265146 494469995 /nfs/dbraw/zinc/46/99/95/494469995.db2.gz KQVZZMUELPGYIE-ZROIWOOFSA-N -1 0 369.358 3.375 40 10 FGCBRM CC(C)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408604177 499592755 /nfs/dbraw/zinc/59/27/55/499592755.db2.gz UDEPARKHUQLEQV-LDADJPATSA-N -1 0 364.401 3.388 40 10 FGCBRM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)[N-]C2=S)cc1 ZINC000408787943 499594924 /nfs/dbraw/zinc/59/49/24/499594924.db2.gz BDORPJATBLGMAZ-GZTJUZNOSA-N -1 0 367.474 3.036 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)c1 ZINC000408873175 570694324 /nfs/dbraw/zinc/69/43/24/570694324.db2.gz OBQCINFVHIBREC-QGOAFFKASA-N -1 0 364.401 3.314 40 10 FGCBRM CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)SC1=S ZINC000409005010 570711354 /nfs/dbraw/zinc/71/13/54/570711354.db2.gz CTVGFAUURUOXJG-WDZFZDKYSA-N -1 0 357.840 3.025 40 10 FGCBRM Cc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccccc1 ZINC000409128673 570730249 /nfs/dbraw/zinc/73/02/49/570730249.db2.gz TUGOECKMSOYIEQ-DHDCSXOGSA-N -1 0 356.403 3.215 40 10 FGCBRM Cc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc2n1C ZINC000409097861 499595676 /nfs/dbraw/zinc/59/56/76/499595676.db2.gz NTJRFHRFWKDLGD-NTEUORMPSA-N -1 0 360.460 3.163 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000409018110 499595832 /nfs/dbraw/zinc/59/58/32/499595832.db2.gz RFPCWKNQHHZSLM-MHWRWJLKSA-N -1 0 370.405 3.056 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1 ZINC000409222263 570742694 /nfs/dbraw/zinc/74/26/94/570742694.db2.gz WKVULCJFQAAKQJ-FOWTUZBSSA-N -1 0 366.442 3.225 40 10 FGCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409142338 263533003 /nfs/dbraw/zinc/53/30/03/263533003.db2.gz KVSLNHNIKXWINX-OVCLIPMQSA-N -1 0 374.393 3.354 40 10 FGCBRM CC[C@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000409350668 263550108 /nfs/dbraw/zinc/55/01/08/263550108.db2.gz YSIGFMZNGFNFAO-AAIQCTMTSA-N -1 0 351.449 3.150 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000059336663 493904785 /nfs/dbraw/zinc/90/47/85/493904785.db2.gz VAWKNIVGHDUOBF-MDWZMJQESA-N -1 0 374.755 3.154 40 10 FGCBRM COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(C=C2NC(=O)[N-]C2=O)c1C ZINC000206089116 496974078 /nfs/dbraw/zinc/97/40/78/496974078.db2.gz GLFGUNRWWFKULM-QPEQYQDCSA-N -1 0 356.338 3.032 40 10 FGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1 ZINC000408802889 499595204 /nfs/dbraw/zinc/59/52/04/499595204.db2.gz IVPPJZAIVASBMQ-SFQUDFHCSA-N -1 0 364.401 3.449 40 10 FGCBRM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408961079 499595617 /nfs/dbraw/zinc/59/56/17/499595617.db2.gz AAJPOVAUYKDVIM-GFJWLWTISA-N -1 0 366.348 3.057 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000408878858 570694641 /nfs/dbraw/zinc/69/46/41/570694641.db2.gz CSBYPYWBHDDJLE-FOWTUZBSSA-N -1 0 350.374 3.060 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000409120408 570728011 /nfs/dbraw/zinc/72/80/11/570728011.db2.gz VOFXMEYHCOJRJD-WOJGMQOQSA-N -1 0 365.433 3.408 40 10 FGCBRM CCc1nnc(S/C(=C\c2ccc(N(CC)CC)cc2O)C(=O)[O-])o1 ZINC000007342649 494016898 /nfs/dbraw/zinc/01/68/98/494016898.db2.gz RRAXLULNNSHNMR-ZROIWOOFSA-N -1 0 363.439 3.402 40 10 FGCBRM N#Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000033871434 494064408 /nfs/dbraw/zinc/06/44/08/494064408.db2.gz UCTXCEHGVGUESX-PDGQHHTCSA-N -1 0 355.353 3.280 40 10 FGCBRM COc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(C)(C)C ZINC000034883078 494068824 /nfs/dbraw/zinc/06/88/24/494068824.db2.gz WAGAATKELMXRHE-VBKFSLOCSA-N -1 0 366.417 3.334 40 10 FGCBRM COc1cc(/C=C2/SC(=S)N(CC(C)C)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000036613178 494092159 /nfs/dbraw/zinc/09/21/59/494092159.db2.gz SARVXNONKJZWEN-WUXMJOGZSA-N -1 0 368.436 3.166 40 10 FGCBRM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016102308 494376878 /nfs/dbraw/zinc/37/68/78/494376878.db2.gz BIEOQFVSIMNLLE-WJDWOHSUSA-N -1 0 369.808 3.072 40 10 FGCBRM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408872522 570694182 /nfs/dbraw/zinc/69/41/82/570694182.db2.gz FRYFJPRQVDRBEO-ATVHPVEESA-N -1 0 366.442 3.305 40 10 FGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000408890887 570695321 /nfs/dbraw/zinc/69/53/21/570695321.db2.gz HZAHTDGBNVOOFB-XNTDXEJSSA-N -1 0 370.792 3.274 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000409145546 570732938 /nfs/dbraw/zinc/73/29/38/570732938.db2.gz QSYVHCLKHRHWIK-LFIBNONCSA-N -1 0 366.442 3.143 40 10 FGCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OC ZINC000409404913 570757993 /nfs/dbraw/zinc/75/79/93/570757993.db2.gz FIGDTKLKSFHYHB-ZROIWOOFSA-N -1 0 372.808 3.209 40 10 FGCBRM CC1=Nc2ccccc2[C@@H]1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000100925020 209218531 /nfs/dbraw/zinc/21/85/31/209218531.db2.gz DGNJZOUDHYRKGL-YLQKULKDSA-N -1 0 351.406 3.214 40 10 FGCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccoc1 ZINC000409236144 263544585 /nfs/dbraw/zinc/54/45/85/263544585.db2.gz DLTJOBXIMPPQAT-WUXMJOGZSA-N -1 0 366.320 3.130 40 10 FGCBRM CCCN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O ZINC000409237085 263545273 /nfs/dbraw/zinc/54/52/73/263545273.db2.gz IRAIAASQKVWJSQ-XNTDXEJSSA-N -1 0 354.362 3.256 40 10 FGCBRM O=C([O-])CCCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S ZINC000002700858 493816283 /nfs/dbraw/zinc/81/62/83/493816283.db2.gz UFOPSUOQAYYCEH-LCYFTJDESA-N -1 0 373.459 3.143 40 10 FGCBRM COc1ccc(NC2=NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)S2)cc1 ZINC000013343510 494286607 /nfs/dbraw/zinc/28/66/07/494286607.db2.gz QOEQVFGKHMDCIG-XNTDXEJSSA-N -1 0 354.387 3.476 40 10 FGCBRM CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000101527247 495071676 /nfs/dbraw/zinc/07/16/76/495071676.db2.gz MKGWRGMTPKGTHR-OQLLNIDSSA-N -1 0 368.305 3.015 40 10 FGCBRM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000408786620 499594728 /nfs/dbraw/zinc/59/47/28/499594728.db2.gz SXLPCQLGZQYHMA-RIYZIHGNSA-N -1 0 370.792 3.329 40 10 FGCBRM COc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408810831 499595163 /nfs/dbraw/zinc/59/51/63/499595163.db2.gz QBIKWEJGLIQPQB-JLHYYAGUSA-N -1 0 370.792 3.323 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408799770 499595295 /nfs/dbraw/zinc/59/52/95/499595295.db2.gz KXGWYUSDXSOYLJ-SFQUDFHCSA-N -1 0 364.401 3.449 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3O)C2=O)cc1Cl ZINC000408986533 570707953 /nfs/dbraw/zinc/70/79/53/570707953.db2.gz MROBURGEXCHMDW-JYRVWZFOSA-N -1 0 356.765 3.020 40 10 FGCBRM CCc1ccc(N2C(=O)/C(=C/c3ccccc3C)C(=O)[N-]C2=S)cc1 ZINC000409379585 570755554 /nfs/dbraw/zinc/75/55/54/570755554.db2.gz XYQHHNHRBQNABL-SFQUDFHCSA-N -1 0 350.443 3.389 40 10 FGCBRM O=C1C=CC(=NNc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C(=O)N1 ZINC000104123669 209257713 /nfs/dbraw/zinc/25/77/13/209257713.db2.gz QKIIJMCRQXHKJH-VXPUYCOJSA-N -1 0 371.378 3.104 40 10 FGCBRM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000003071874 206955525 /nfs/dbraw/zinc/95/55/25/206955525.db2.gz ZAHJHACRNMXCJV-FNWMBBJUSA-N -1 0 351.449 3.150 40 10 FGCBRM NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1 ZINC000013123441 207451993 /nfs/dbraw/zinc/45/19/93/207451993.db2.gz NBQJKNSAKITVLO-VXPUYCOJSA-N -1 0 371.374 3.306 40 10 in-vitro FGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408810656 499595281 /nfs/dbraw/zinc/59/52/81/499595281.db2.gz JJTBKSNGIIZVHX-GHRIWEEISA-N -1 0 364.401 3.450 40 10 FGCBRM CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000408960138 499595533 /nfs/dbraw/zinc/59/55/33/499595533.db2.gz CGYJPDYGVLWCDM-ZSOIEALJSA-N -1 0 368.305 3.015 40 10 FGCBRM CCn1cc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21 ZINC000409102737 499595708 /nfs/dbraw/zinc/59/57/08/499595708.db2.gz ZPXCRSGPMLKYEF-NTEUORMPSA-N -1 0 360.460 3.337 40 10 FGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Cl)C2=O)cc1 ZINC000408739925 263494129 /nfs/dbraw/zinc/49/41/29/263494129.db2.gz GSFXGTGWROHHBW-RVDMUPIBSA-N -1 0 370.792 3.405 40 10 FGCBRM COc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1C(=O)[O-] ZINC000033714221 494062927 /nfs/dbraw/zinc/06/29/27/494062927.db2.gz QTESZONRNLVTAY-GDNBJRDFSA-N -1 0 354.387 3.476 40 10 FGCBRM O=C1[N-]C(=O)C(=Cc2c(Cc3ccccc3F)ccc3ccccc32)C(=O)N1 ZINC000408867917 570693865 /nfs/dbraw/zinc/69/38/65/570693865.db2.gz KQVBJYIBEJBLRY-UHFFFAOYSA-N -1 0 374.371 3.319 40 10 FGCBRM CCOc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2CC)C1=O ZINC000408883428 570694721 /nfs/dbraw/zinc/69/47/21/570694721.db2.gz UNRRSFJSRBQGRV-SSZFMOIBSA-N -1 0 364.401 3.314 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000409393165 570756433 /nfs/dbraw/zinc/75/64/33/570756433.db2.gz PJCFIGOSOMZGSA-FOWTUZBSSA-N -1 0 359.341 3.008 40 10 FGCBRM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Cl ZINC000209578866 571310114 /nfs/dbraw/zinc/31/01/14/571310114.db2.gz HPLVTXAMPPNFEI-LCYFTJDESA-N -1 0 370.792 3.323 40 10 FGCBRM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3sccc3C)C2=O)c1 ZINC000408999390 263515822 /nfs/dbraw/zinc/51/58/22/263515822.db2.gz KTCKHXOIXUONOU-GXDHUFHOSA-N -1 0 356.403 3.122 40 10 FGCBRM O=C1[N-]C(=O)C(=Cc2c(OCc3ccccc3)ccc3ccccc32)C(=O)N1 ZINC000408799875 499595139 /nfs/dbraw/zinc/59/51/39/499595139.db2.gz IWSKYNWUPYBFEF-UHFFFAOYSA-N -1 0 372.380 3.168 40 10 FGCBRM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)ccc1O ZINC000038162840 535658743 /nfs/dbraw/zinc/65/87/43/535658743.db2.gz TZFZJRATRMFFRR-UVTDQMKNSA-N -1 0 368.414 3.463 40 10 FGCBRM Cc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(C)n1-c1cccc(F)c1 ZINC000409131944 570729380 /nfs/dbraw/zinc/72/93/80/570729380.db2.gz ZFOPUSFWYIBUTK-VIZOYTHASA-N -1 0 374.393 3.354 40 10 FGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016607867 211165188 /nfs/dbraw/zinc/16/51/88/211165188.db2.gz SWUNBHFXWVDCPI-HNNXBMFYSA-N -1 0 372.362 3.386 40 10 FGCBRM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005371232 493927310 /nfs/dbraw/zinc/92/73/10/493927310.db2.gz BKVBUWDYAXIFQC-OEMOTLHWSA-N -1 0 351.449 3.093 40 10 FGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1C ZINC000408781214 499594704 /nfs/dbraw/zinc/59/47/04/499594704.db2.gz BJTSSADCZLRXKM-LICLKQGHSA-N -1 0 367.474 3.090 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408797048 499594724 /nfs/dbraw/zinc/59/47/24/499594724.db2.gz FNWJVEPIAMKOIH-SDNWHVSQSA-N -1 0 370.792 3.405 40 10 FGCBRM Cc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c(C)c1 ZINC000408915135 499595057 /nfs/dbraw/zinc/59/50/57/499595057.db2.gz VFQHCUXSBHJRGA-LICLKQGHSA-N -1 0 352.365 3.417 40 10 FGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C ZINC000409220585 570742221 /nfs/dbraw/zinc/74/22/21/570742221.db2.gz BUDVJIZIHSTZTI-NTEUORMPSA-N -1 0 371.824 3.270 40 10 FGCBRM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100988542 222258935 /nfs/dbraw/zinc/25/89/35/222258935.db2.gz SWUNBHFXWVDCPI-OAHLLOKOSA-N -1 0 372.362 3.386 40 10 FGCBRM NS(=O)(=O)c1ccc(NN=C2c3ccccc3C=C(C(=O)[O-])C2=O)cc1 ZINC000003954397 493861351 /nfs/dbraw/zinc/86/13/51/493861351.db2.gz NBQJKNSAKITVLO-FMQUCBEESA-N -1 0 371.374 3.306 40 10 in-vitro FGCBRM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1 ZINC000005373359 493926997 /nfs/dbraw/zinc/92/69/97/493926997.db2.gz YHQGKKZNBAMSGL-ZROIWOOFSA-N -1 0 357.412 3.496 40 10 FGCBRM CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O ZINC000006963807 493990123 /nfs/dbraw/zinc/99/01/23/493990123.db2.gz XDGIZZLYEJCGSK-IZZDOVSWSA-N -1 0 357.840 3.025 40 10 FGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000113832665 495331543 /nfs/dbraw/zinc/33/15/43/495331543.db2.gz IFJCMGOWUHGYTO-QGOAFFKASA-N -1 0 364.401 3.450 40 10 FGCBRM CCOc1cc(C)c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OCC ZINC000107591888 495529353 /nfs/dbraw/zinc/52/93/53/495529353.db2.gz IQROREJVGOXBCX-ATVHPVEESA-N -1 0 366.417 3.254 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408801362 499595180 /nfs/dbraw/zinc/59/51/80/499595180.db2.gz AEUIDOWBMRHUMM-GXDHUFHOSA-N -1 0 370.792 3.323 40 10 FGCBRM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(CC)c2C)C1=O ZINC000409072854 499595681 /nfs/dbraw/zinc/59/56/81/499595681.db2.gz DYPFNFMNOIWTBM-SFQUDFHCSA-N -1 0 365.433 3.354 40 10 FGCBRM COc1ccc(N2C(=O)C(=Cc3ccc(C)o3)C(=O)[N-]C2=S)c(OC)c1 ZINC000000868439 536656452 /nfs/dbraw/zinc/65/64/52/536656452.db2.gz ASAOFYDUIVILKP-MDWZMJQESA-N -1 0 372.402 3.277 40 10 FGCBRM COc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1O ZINC000408936676 570701135 /nfs/dbraw/zinc/70/11/35/570701135.db2.gz HDMKPZLXWPKGEN-RIYZIHGNSA-N -1 0 370.792 3.496 40 10 FGCBRM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)cc1 ZINC000409074656 570718864 /nfs/dbraw/zinc/71/88/64/570718864.db2.gz UJVUNZQKCWMXAN-LDADJPATSA-N -1 0 365.433 3.354 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1 ZINC000409207976 570739243 /nfs/dbraw/zinc/73/92/43/570739243.db2.gz AEGPSZGVNJQLKR-JXMROGBWSA-N -1 0 351.145 3.253 40 10 FGCBRM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)c1 ZINC000409243790 570746233 /nfs/dbraw/zinc/74/62/33/570746233.db2.gz UHOSGFACLCMZBE-LFIBNONCSA-N -1 0 366.442 3.143 40 10 FGCBRM COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000034772759 210248149 /nfs/dbraw/zinc/24/81/49/210248149.db2.gz MDIJJHPJRWQYGV-ATVHPVEESA-N -1 0 363.369 3.262 40 10 FGCBRM Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223598566 132279520 /nfs/dbraw/zinc/27/95/20/132279520.db2.gz MIBPKEIQJJDUND-CYBMUJFWSA-N -1 0 369.465 3.245 40 10 FGCBRM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccccc1Br ZINC000408816515 263498425 /nfs/dbraw/zinc/49/84/25/263498425.db2.gz UALZKUDXRUGUQC-JYRVWZFOSA-N -1 0 360.211 3.037 40 10 FGCBRM NS(=O)(=O)c1ccc(NN=C2C=c3ccccc3=C(C(=O)[O-])C2=O)cc1 ZINC000003954398 493861027 /nfs/dbraw/zinc/86/10/27/493861027.db2.gz ROSNSSVBDFGLGW-FMQUCBEESA-N -1 0 371.374 3.306 40 10 in-vitro FGCBRM COc1cccc(NC2=NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3[O-])S2)c1 ZINC000033326768 494058899 /nfs/dbraw/zinc/05/88/99/494058899.db2.gz ODBFWDNWDHNEBT-OVCLIPMQSA-N -1 0 371.374 3.391 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408786717 499594907 /nfs/dbraw/zinc/59/49/07/499594907.db2.gz VBAUJKKBROHSRQ-GXDHUFHOSA-N -1 0 370.792 3.405 40 10 FGCBRM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408812438 499595291 /nfs/dbraw/zinc/59/52/91/499595291.db2.gz ORYICWNLSKEKAM-AUWJEWJLSA-N -1 0 360.211 3.037 40 10 FGCBRM C[C@H]1Cc2cc(/C=C3\C(=O)[N-]N(c4ccc(F)c(Cl)c4)C3=O)ccc2O1 ZINC000588228538 506243009 /nfs/dbraw/zinc/24/30/09/506243009.db2.gz LOHFBMADEYULMM-CEITULEQSA-N -1 0 372.783 3.264 40 10 FGCBRM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 ZINC000408968196 570705042 /nfs/dbraw/zinc/70/50/42/570705042.db2.gz XECGIBPUKGUVQX-YRNVUSSQSA-N -1 0 364.785 3.212 40 10 FGCBRM COc1ccc(N2N=C(C)C(=CNc3cc(C(=O)[O-])ccc3C)C2=O)cc1 ZINC000016347097 211158552 /nfs/dbraw/zinc/15/85/52/211158552.db2.gz HOAAOTOTJFEABT-BOPFTXTBSA-N -1 0 365.389 3.420 40 10 FGCBRM CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O ZINC000409239882 263545732 /nfs/dbraw/zinc/54/57/32/263545732.db2.gz RJKZTPHVTSIGPP-XNTDXEJSSA-N -1 0 354.362 3.256 40 10 FGCBRM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1 ZINC000004854409 493896685 /nfs/dbraw/zinc/89/66/85/493896685.db2.gz JGFJRCLVHKIQML-UHFFFAOYSA-N -1 0 361.697 3.098 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408809027 499595177 /nfs/dbraw/zinc/59/51/77/499595177.db2.gz HBNUVAPFVHYIAR-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408814248 499595237 /nfs/dbraw/zinc/59/52/37/499595237.db2.gz OOFKNMDEUFINCF-QGOAFFKASA-N -1 0 364.401 3.450 40 10 FGCBRM CCCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408940768 570701518 /nfs/dbraw/zinc/70/15/18/570701518.db2.gz VAYFJMDEIXNYBX-AQTBWJFISA-N -1 0 364.401 3.450 40 10 FGCBRM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(C2CCCC2)C1=O ZINC000409206449 570739314 /nfs/dbraw/zinc/73/93/14/570739314.db2.gz JTQSBRMJBGBZAP-ATVHPVEESA-N -1 0 364.401 3.253 40 10 FGCBRM CC[C@@H](C)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc1OC ZINC000409410094 570757110 /nfs/dbraw/zinc/75/71/10/570757110.db2.gz YVADJXIDFGBAFH-MTOJCTJASA-N -1 0 366.417 3.334 40 10 FGCBRM Cc1[n-]n(C(=O)c2ccccc2)c(=O)c1N=Nc1ccc([N+](=O)[O-])cc1 ZINC000104230875 222352338 /nfs/dbraw/zinc/35/23/38/222352338.db2.gz OXFDNFJVBHIBOG-RAJOGRCSSA-N -1 0 351.322 3.106 40 10 FGCBRM COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc([N+](=O)[O-])c1[O-] ZINC000028911983 493807313 /nfs/dbraw/zinc/80/73/13/493807313.db2.gz NFEPTXYFVMKGQJ-ZROIWOOFSA-N -1 0 371.374 3.391 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000005774261 493942348 /nfs/dbraw/zinc/94/23/48/493942348.db2.gz LJPPZBAZUPSFBX-UVTDQMKNSA-N -1 0 360.291 3.372 40 10 FGCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)o1 ZINC000006325599 493959409 /nfs/dbraw/zinc/95/94/09/493959409.db2.gz QJHHWQCLLNMBPC-NTCAYCPXSA-N -1 0 367.405 3.101 40 10 FGCBRM CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000408807768 499595148 /nfs/dbraw/zinc/59/51/48/499595148.db2.gz KYLQBHNNZITBHH-XNTDXEJSSA-N -1 0 370.792 3.405 40 10 FGCBRM CCOc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)c1 ZINC000408877171 570694797 /nfs/dbraw/zinc/69/47/97/570694797.db2.gz SQQXLISFMHZWCG-LGMDPLHJSA-N -1 0 364.401 3.314 40 10 FGCBRM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccco1 ZINC000409236277 570742645 /nfs/dbraw/zinc/74/26/45/570742645.db2.gz GAPISNCEZKWPDF-XYOKQWHBSA-N -1 0 366.320 3.130 40 10 FGCBRM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2sccc2C)C1=O ZINC000409242600 570746208 /nfs/dbraw/zinc/74/62/08/570746208.db2.gz OXVGNYJIUAEJMY-ZRDIBKRKSA-N -1 0 356.403 3.122 40 10 FGCBRM O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000018153246 211192563 /nfs/dbraw/zinc/19/25/63/211192563.db2.gz QSBBSKSGACMGTB-FMQUCBEESA-N -1 0 355.379 3.398 40 10 FGCBRM CC(=O)c1ccc(N2N=C(C)C(=Cc3ccc([O-])c([N+](=O)[O-])c3)C2=O)cc1 ZINC000005954275 493946503 /nfs/dbraw/zinc/94/65/03/493946503.db2.gz MKZPKPKIYVLTPO-SXGWCWSVSA-N -1 0 365.345 3.309 40 10 FGCBRM CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)[O-])c(OC)c1 ZINC000007365683 494018958 /nfs/dbraw/zinc/01/89/58/494018958.db2.gz GBPFGLCJBLHQPT-DHDCSXOGSA-N -1 0 363.439 3.451 40 10 FGCBRM Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1cccc(C(=O)[O-])c1 ZINC000408994808 499595543 /nfs/dbraw/zinc/59/55/43/499595543.db2.gz JKCONQREJJZXII-ZSOIEALJSA-N -1 0 358.444 3.281 40 10 FGCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c1 ZINC000408883017 570695282 /nfs/dbraw/zinc/69/52/82/570695282.db2.gz PZDQPJKUWGRYEK-DHDCSXOGSA-N -1 0 372.833 3.180 40 10 FGCBRM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc1OC(C)C ZINC000409407530 570758191 /nfs/dbraw/zinc/75/81/91/570758191.db2.gz MLTVRDQEAYXZFB-ATVHPVEESA-N -1 0 366.417 3.334 40 10 FGCBRM O=C([O-])COc1ccccc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000033491447 494059778 /nfs/dbraw/zinc/05/97/78/494059778.db2.gz SGIWHJVMGCHTBD-GDNBJRDFSA-N -1 0 354.387 3.232 40 10 FGCBRM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1C ZINC000408785426 499594904 /nfs/dbraw/zinc/59/49/04/499594904.db2.gz YVSQZWBQUCYKNW-MDWZMJQESA-N -1 0 370.792 3.329 40 10 FGCBRM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(F)c2)C1=O ZINC000408913133 499595191 /nfs/dbraw/zinc/59/51/91/499595191.db2.gz KZSACCLUKNBEMA-MHWRWJLKSA-N -1 0 368.364 3.279 40 10 FGCBRM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1 ZINC000409103859 499595766 /nfs/dbraw/zinc/59/57/66/499595766.db2.gz XENJPPZURKFKSE-VQHVLOKHSA-N -1 0 351.145 3.253 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408866403 570693946 /nfs/dbraw/zinc/69/39/46/570693946.db2.gz FOPPKHCPLWTTTA-LFIBNONCSA-N -1 0 370.792 3.405 40 10 FGCBRM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408883061 570695337 /nfs/dbraw/zinc/69/53/37/570695337.db2.gz SWUXVMFVLRGCHV-OQLLNIDSSA-N -1 0 356.765 3.015 40 10 FGCBRM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1C ZINC000409236958 570743068 /nfs/dbraw/zinc/74/30/68/570743068.db2.gz INDNXJDEIZZMMT-UKTHLTGXSA-N -1 0 373.865 3.127 40 10 FGCBRM CCCN1C(=O)/C(=C\c2cc(OCC)c([O-])c([N+](=O)[O-])c2)SC1=S ZINC000409338343 570751570 /nfs/dbraw/zinc/75/15/70/570751570.db2.gz IEEHDVZLBSHUAK-XYOKQWHBSA-N -1 0 368.436 3.310 40 10 FGCBRM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000005247656 493921511 /nfs/dbraw/zinc/92/15/11/493921511.db2.gz JEVQATLVQFDDMI-WJDWOHSUSA-N -1 0 370.792 3.405 40 10 FGCBRM CCc1nc(SC(=Cc2ccc(N3CCCC3)c(C)c2)C(=O)[O-])n[nH]1 ZINC000007342619 494016844 /nfs/dbraw/zinc/01/68/44/494016844.db2.gz YTEZPEWLZGQERW-RVDMUPIBSA-N -1 0 358.467 3.494 40 10 FGCBRM CC[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000409350673 570752399 /nfs/dbraw/zinc/75/23/99/570752399.db2.gz YSIGFMZNGFNFAO-GARZTLJTSA-N -1 0 351.449 3.150 40 10 FGCBRM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1coc2ccccc2c1=O ZINC000013564903 220075380 /nfs/dbraw/zinc/07/53/80/220075380.db2.gz PROBHLUWQMBRQT-YVLHZVERSA-N -1 0 374.352 3.297 40 10 FGCBRM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000004976929 493904990 /nfs/dbraw/zinc/90/49/90/493904990.db2.gz WQFOKEUAYINDNF-UHFFFAOYSA-N -1 0 363.178 3.408 40 10 FGCBRM CCCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005371238 493926777 /nfs/dbraw/zinc/92/67/77/493926777.db2.gz WYXOHLNKVHUPIV-FNWMBBJUSA-N -1 0 351.449 3.237 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3F)C2=O)cc1Cl ZINC000108247201 494668377 /nfs/dbraw/zinc/66/83/77/494668377.db2.gz JHXSUBRNAJEGAF-JYRVWZFOSA-N -1 0 358.756 3.454 40 10 FGCBRM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000408812743 499595089 /nfs/dbraw/zinc/59/50/89/499595089.db2.gz MIYMVGBSLYOGFF-SFQUDFHCSA-N -1 0 350.374 3.140 40 10 FGCBRM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c(C)c1 ZINC000408886973 570695371 /nfs/dbraw/zinc/69/53/71/570695371.db2.gz NEIHKQJEXDQCOY-NTEUORMPSA-N -1 0 370.792 3.329 40 10 FGCBRM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408998175 570710164 /nfs/dbraw/zinc/71/01/64/570710164.db2.gz TWNKAVSZAOQROH-UHFFFAOYSA-N -1 0 365.433 3.141 40 10 FGCBRM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000004623616 493884274 /nfs/dbraw/zinc/88/42/74/493884274.db2.gz JXLVSBCVKUJJGM-AUSJPIAWSA-N -1 0 363.417 3.113 40 10 FGCBRM C[C@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)ccc2O1 ZINC000005881425 493945566 /nfs/dbraw/zinc/94/55/66/493945566.db2.gz QYMOUTRWFZLVKJ-RCEBRVLHSA-N -1 0 354.793 3.125 40 10 FGCBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000408811611 499595107 /nfs/dbraw/zinc/59/51/07/499595107.db2.gz VXFIADCLNDBZMR-XNTDXEJSSA-N -1 0 370.792 3.323 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408963918 570704250 /nfs/dbraw/zinc/70/42/50/570704250.db2.gz AQOPFYDWKACSLL-VQHVLOKHSA-N -1 0 350.758 3.207 40 10 FGCBRM CCCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000005371236 493926716 /nfs/dbraw/zinc/92/67/16/493926716.db2.gz WYXOHLNKVHUPIV-VWLVURMCSA-N -1 0 351.449 3.237 40 10 FGCBRM O=C([O-])[C@H]1c2cc(O)c(O)cc2C(=O)O[C@@H]1c1ccc(Cl)cc1Cl ZINC000033414015 494060311 /nfs/dbraw/zinc/06/03/11/494060311.db2.gz QWRLTPGZLBALJA-UONOGXRCSA-N -1 0 369.156 3.485 40 10 FGCBRM Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S ZINC000008550924 494095987 /nfs/dbraw/zinc/09/59/87/494095987.db2.gz WWCYJSJTACYDKW-ZROIWOOFSA-N -1 0 358.444 3.341 40 10 FGCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c1 ZINC000408869249 570694226 /nfs/dbraw/zinc/69/42/26/570694226.db2.gz QBTOCONXXKMSIF-OQLLNIDSSA-N -1 0 356.765 3.015 40 10 FGCBRM COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1[O-] ZINC000408901645 570695934 /nfs/dbraw/zinc/69/59/34/570695934.db2.gz GYKKERSLBVWANT-OQLLNIDSSA-N -1 0 353.334 3.115 40 10 FGCBRM Cc1ccc(N2[N-]C(=O)/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1C ZINC000000779700 219320856 /nfs/dbraw/zinc/32/08/56/219320856.db2.gz ZVPZZPNUJOTKPN-MTEHDHEFSA-N -1 0 363.373 3.229 40 10 FGCBRM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000005373542 493926937 /nfs/dbraw/zinc/92/69/37/493926937.db2.gz XEJGPWJVWNQYOX-OIQXIXSWSA-N -1 0 365.476 3.396 40 10 FGCBRM CCN1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)SC1=S ZINC000006387043 493962042 /nfs/dbraw/zinc/96/20/42/493962042.db2.gz NILUGBMBLZFVAG-UVTDQMKNSA-N -1 0 358.444 3.397 40 10 FGCBRM O=C([O-])c1ccc(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1 ZINC000408529975 499591448 /nfs/dbraw/zinc/59/14/48/499591448.db2.gz JVJWYLVTVWLTSE-DHDCSXOGSA-N -1 0 371.439 3.453 40 10 FGCBRM COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000408759388 499594896 /nfs/dbraw/zinc/59/48/96/499594896.db2.gz DFDMVGSWTKLHHQ-GDNBJRDFSA-N -1 0 372.833 3.180 40 10 FGCBRM Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000408995495 499595471 /nfs/dbraw/zinc/59/54/71/499595471.db2.gz AOPASUTXEABQIZ-ZSOIEALJSA-N -1 0 358.444 3.281 40 10 FGCBRM CCCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000408994404 499595552 /nfs/dbraw/zinc/59/55/52/499595552.db2.gz ZLXFSFMCNKZYFD-GHRIWEEISA-N -1 0 366.442 3.307 40 10 FGCBRM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408984264 570708083 /nfs/dbraw/zinc/70/80/83/570708083.db2.gz ILUVGNOZUFELIK-AQTBWJFISA-N -1 0 364.401 3.314 40 10 FGCBRM Cc1cccc(N2C(=O)/C(=C/C=C/c3ccco3)C(=O)[N-]C2=S)c1C ZINC000409132796 570729423 /nfs/dbraw/zinc/72/94/23/570729423.db2.gz KCCDVBOMBIGGNN-YKVSOSGNSA-N -1 0 352.415 3.284 40 10 FGCBRM CCn1cccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409250095 570745901 /nfs/dbraw/zinc/74/59/01/570745901.db2.gz WADWFYJBRXZQIE-NTEUORMPSA-N -1 0 373.865 3.301 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CO ZINC000100962823 132233495 /nfs/dbraw/zinc/23/34/95/132233495.db2.gz KLCVFIVKKSFTLK-BOPFTXTBSA-N -1 0 366.417 3.179 40 10 FGCBRM CCN1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)SC1=S ZINC000033806899 494063494 /nfs/dbraw/zinc/06/34/94/494063494.db2.gz OHZUDMPOVAUIEP-UVTDQMKNSA-N -1 0 358.444 3.397 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408776915 499594963 /nfs/dbraw/zinc/59/49/63/499594963.db2.gz SAFZQJLNXHJXDA-LDADJPATSA-N -1 0 364.401 3.369 40 10 FGCBRM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408874237 570694353 /nfs/dbraw/zinc/69/43/53/570694353.db2.gz AJLIOBCJLRZDJP-SFQUDFHCSA-N -1 0 364.401 3.369 40 10 FGCBRM O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000104124441 222350366 /nfs/dbraw/zinc/35/03/66/222350366.db2.gz QSBBSKSGACMGTB-VXPUYCOJSA-N -1 0 355.379 3.398 40 10 FGCBRM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006479383 263344966 /nfs/dbraw/zinc/34/49/66/263344966.db2.gz WUYVQUAAYVVORN-GXDHUFHOSA-N -1 0 370.792 3.323 40 10 FGCBRM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000059106203 493902572 /nfs/dbraw/zinc/90/25/72/493902572.db2.gz BAFNHVPHWRIXQV-NTEUORMPSA-N -1 0 355.281 3.241 40 10 FGCBRM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000409103179 499595721 /nfs/dbraw/zinc/59/57/21/499595721.db2.gz XGWHORMBNSUWQF-GZTJUZNOSA-N -1 0 367.474 3.265 40 10 FGCBRM COc1cc(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408872800 570694171 /nfs/dbraw/zinc/69/41/71/570694171.db2.gz IYXOSNJZCOCKRM-CXUHLZMHSA-N -1 0 370.792 3.323 40 10 FGCBRM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408893761 570695064 /nfs/dbraw/zinc/69/50/64/570695064.db2.gz HJHNEFUGCDFWOB-UKTHLTGXSA-N -1 0 356.765 3.020 40 10 FGCBRM Cc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000409330988 570750316 /nfs/dbraw/zinc/75/03/16/570750316.db2.gz DAHBKKWWTOIMPQ-HJWRWDBZSA-N -1 0 352.350 3.374 40 10 FGCBRM CCN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001085290 132380067 /nfs/dbraw/zinc/38/00/67/132380067.db2.gz HZSNRTFTOUUFRA-QGOAFFKASA-N -1 0 363.417 3.118 40 10 FGCBRM O=C(NC1=NC(=O)/C(=C/c2ccc([O-])c(Cl)c2)S1)c1ccccc1 ZINC000409147711 263534196 /nfs/dbraw/zinc/53/41/96/263534196.db2.gz NLRPRHAEEJWQQF-ZROIWOOFSA-N -1 0 358.806 3.446 40 10 FGCBRM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S ZINC000005373607 493926828 /nfs/dbraw/zinc/92/68/28/493926828.db2.gz SCAGRUNJHCHNBC-NEQSRXPGSA-N -1 0 365.476 3.396 40 10 FGCBRM COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c1 ZINC000408884329 570694851 /nfs/dbraw/zinc/69/48/51/570694851.db2.gz TVCAJENFDUVWOF-JYRVWZFOSA-N -1 0 374.755 3.154 40 10 FGCBRM Cc1ccnc([N-]S(=O)(=O)c2ccc(N=Nc3ccc(=O)[nH]c3)cc2)n1 ZINC000018324019 220231382 /nfs/dbraw/zinc/23/13/82/220231382.db2.gz TYXHQWIUGPWYLC-QZQOTICOSA-N -1 0 370.394 3.102 40 10 FGCBRM Cc1cc2c(cc1C=C1C(=O)[N-]C(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223598505 132279681 /nfs/dbraw/zinc/27/96/81/132279681.db2.gz MIBPKEIQJJDUND-ZDUSSCGKSA-N -1 0 369.465 3.245 40 10 FGCBRM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000001233260 132381243 /nfs/dbraw/zinc/38/12/43/132381243.db2.gz MYRKLVZIUAHQBN-NBVRZTHBSA-N -1 0 363.417 3.199 40 10 FGCBRM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)c1 ZINC000012032579 494200363 /nfs/dbraw/zinc/20/03/63/494200363.db2.gz WYYHOPRRRYYUIF-ZSOIEALJSA-N -1 0 357.412 3.496 40 10 FGCBRM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408819049 499595255 /nfs/dbraw/zinc/59/52/55/499595255.db2.gz XWICFGSQMRFDPD-SFQUDFHCSA-N -1 0 350.374 3.060 40 10 FGCBRM Cc1ccc(Cl)cc1N1C(=O)[N-]C(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000408882684 570695354 /nfs/dbraw/zinc/69/53/54/570695354.db2.gz QEQYJMDKWNMNCL-RIYZIHGNSA-N -1 0 356.765 3.020 40 10 FGCBRM Cc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)[N-]C2=S)cc1Cl ZINC000409237035 570743029 /nfs/dbraw/zinc/74/30/29/570743029.db2.gz VAZIUCAOELUDPR-RIYZIHGNSA-N -1 0 372.833 3.185 40 10 FGCBRM