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)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000005587883 493936441 /nfs/dbraw/zinc/93/64/41/493936441.db2.gz POKLEAOMKLPXQX-LDADJPATSA-N 0 2 373.412 3.462 40 10 FGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1C ZINC000408893059 570696018 /nfs/dbraw/zinc/69/60/18/570696018.db2.gz FDJOMGGPRRWZLX-NTEUORMPSA-N 0 2 370.792 3.329 40 10 FGCBLN CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100548271 206224117 /nfs/dbraw/zinc/22/41/17/206224117.db2.gz OCGSJYWQLGXTJR-UVTDQMKNSA-N 0 2 367.321 3.222 40 10 FGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(C)C)C1=O ZINC000006479462 263345596 /nfs/dbraw/zinc/34/55/96/263345596.db2.gz DJYUXBVAARUVAD-FOWTUZBSSA-N 0 2 364.401 3.449 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408872265 570694309 /nfs/dbraw/zinc/69/43/09/570694309.db2.gz CDJVHFKLUIPDHX-SFQUDFHCSA-N 0 2 350.374 3.060 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(F)c3)C2=O)cc1Cl ZINC000408987481 570708266 /nfs/dbraw/zinc/70/82/66/570708266.db2.gz OWBOOPNZUSCNGF-ZSOIEALJSA-N 0 2 358.756 3.454 40 10 FGCBLN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O ZINC000101528397 495071639 /nfs/dbraw/zinc/07/16/39/495071639.db2.gz BOKMHIQOMLFIPA-NTEUORMPSA-N 0 2 368.305 3.015 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000408771794 499594899 /nfs/dbraw/zinc/59/48/99/499594899.db2.gz ICNRLEVOEILJHV-LDADJPATSA-N 0 2 364.401 3.369 40 10 FGCBLN COc1cc(N2N=C(C)C(C=Nc3c(C)n[nH]c3C)C2=O)ccc1Cl ZINC000059858471 493909469 /nfs/dbraw/zinc/90/94/69/493909469.db2.gz DJXNVWOCAWGHBT-JYRVWZFOSA-N 0 2 359.817 3.407 40 10 FGCBLN Cc1ccc(NC=C2C(=O)NC(=O)N(c3c(C)cc(C)cc3C)C2=O)cc1 ZINC000408529777 499591446 /nfs/dbraw/zinc/59/14/46/499591446.db2.gz JYODGNWTXSAYEE-GZTJUZNOSA-N 0 2 363.417 3.499 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408796217 499594910 /nfs/dbraw/zinc/59/49/10/499594910.db2.gz DUSLVIDOEUVJCU-FOWTUZBSSA-N 0 2 364.401 3.369 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 ZINC000408865310 570693678 /nfs/dbraw/zinc/69/36/78/570693678.db2.gz AGPOKZRFQIFGGW-SDNWHVSQSA-N 0 2 370.792 3.405 40 10 FGCBLN COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000408984222 570708144 /nfs/dbraw/zinc/70/81/44/570708144.db2.gz IHPNPLVNISGHQW-DHDCSXOGSA-N 0 2 370.792 3.323 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc(C)ccc2C)C1=O ZINC000408535553 499591951 /nfs/dbraw/zinc/59/19/51/499591951.db2.gz TXOUHTKIHSXUNG-FOWTUZBSSA-N 0 2 363.417 3.445 40 10 FGCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000408960145 499595566 /nfs/dbraw/zinc/59/55/66/499595566.db2.gz CKPVUYUYCOPWJL-GZTJUZNOSA-N 0 2 351.406 3.100 40 10 FGCBLN CCn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000409239393 570743504 /nfs/dbraw/zinc/74/35/04/570743504.db2.gz NDIGDXVSOBTZID-JLHYYAGUSA-N 0 2 357.797 3.136 40 10 FGCBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408534067 499591485 /nfs/dbraw/zinc/59/14/85/499591485.db2.gz URLJULNEURFFKL-FOWTUZBSSA-N 0 2 363.417 3.445 40 10 FGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(Cl)c2)C1=O ZINC000006479393 263345327 /nfs/dbraw/zinc/34/53/27/263345327.db2.gz MDZJRJZGQIHSMV-XYOKQWHBSA-N 0 2 356.765 3.020 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O ZINC000408813578 499595103 /nfs/dbraw/zinc/59/51/03/499595103.db2.gz OJUJSICFZJHIOT-FOWTUZBSSA-N 0 2 364.401 3.369 40 10 FGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cccc(O)c2)C1=O ZINC000408942553 570702115 /nfs/dbraw/zinc/70/21/15/570702115.db2.gz ZHPIPMCVMHRWER-ZSOIEALJSA-N 0 2 356.765 3.020 40 10 FGCBLN COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O ZINC000013615682 206304501 /nfs/dbraw/zinc/30/45/01/206304501.db2.gz YKYFJYMYKGSYIJ-ZROIWOOFSA-N 0 2 363.200 3.463 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000408876275 570694598 /nfs/dbraw/zinc/69/45/98/570694598.db2.gz KMMAHUZYPDLCON-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c(O)ccc2ccccc21 ZINC000408890795 570695346 /nfs/dbraw/zinc/69/53/46/570695346.db2.gz ZJSPQUIYKYDQCB-SFQUDFHCSA-N 0 2 358.353 3.212 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(C)c2C)C1=O ZINC000408531456 499591491 /nfs/dbraw/zinc/59/14/91/499591491.db2.gz KOBVXCKADDWOSC-FOWTUZBSSA-N 0 2 363.417 3.445 40 10 FGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccccc2Cl)C1=O ZINC000408528364 499591645 /nfs/dbraw/zinc/59/16/45/499591645.db2.gz FVHMSUHMOFJZGR-ZRDIBKRKSA-N 0 2 355.781 3.227 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1 ZINC000408854279 570692963 /nfs/dbraw/zinc/69/29/63/570692963.db2.gz BKQSTWHNCPHMBC-XMHGGMMESA-N 0 2 371.396 3.452 40 10 FGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000408893292 570696123 /nfs/dbraw/zinc/69/61/23/570696123.db2.gz DPAGLWJWOJOLHU-NTEUORMPSA-N 0 2 356.765 3.020 40 10 FGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000408892809 570696213 /nfs/dbraw/zinc/69/62/13/570696213.db2.gz DACOPDKLYDATQQ-UKTHLTGXSA-N 0 2 356.765 3.020 40 10 FGCBLN COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)cc1N ZINC000217684266 209659693 /nfs/dbraw/zinc/65/96/93/209659693.db2.gz MRQZBWGIENVRHK-UHFFFAOYSA-N 0 2 361.448 3.202 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000004867078 132255630 /nfs/dbraw/zinc/25/56/30/132255630.db2.gz NIDVNKUYNQFOFK-ZROIWOOFSA-N 0 2 356.765 3.020 40 10 FGCBLN COc1cccc(C=C2C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000016227935 494381933 /nfs/dbraw/zinc/38/19/33/494381933.db2.gz AONTVRJLQSGMPC-DHDCSXOGSA-N 0 2 367.317 3.110 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1C ZINC000408774110 499594855 /nfs/dbraw/zinc/59/48/55/499594855.db2.gz AUACMIKHQAIWPT-LDADJPATSA-N 0 2 363.417 3.036 40 10 FGCBLN CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 ZINC000408865985 570693624 /nfs/dbraw/zinc/69/36/24/570693624.db2.gz CYRNJHMIKJCSQM-PTNGSMBKSA-N 0 2 368.364 3.279 40 10 FGCBLN O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000016951612 494403670 /nfs/dbraw/zinc/40/36/70/494403670.db2.gz KIJSBNNAQVSOOK-FMQUCBEESA-N 0 2 355.379 3.398 40 10 FGCBLN CCCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408936936 570701235 /nfs/dbraw/zinc/70/12/35/570701235.db2.gz LKCSSLOTZPSDIL-NTCAYCPXSA-N 0 2 368.364 3.281 40 10 FGCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000408966927 570704607 /nfs/dbraw/zinc/70/46/07/570704607.db2.gz RHYKKUAFUHWLJX-WOJGMQOQSA-N 0 2 365.433 3.408 40 10 FGCBLN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000192628720 497167967 /nfs/dbraw/zinc/16/79/67/497167967.db2.gz AVQFVBKJUUILCZ-UHFFFAOYSA-N 0 2 356.403 3.323 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(F)cc3)C2=O)c(C)c1 ZINC000408529198 499591576 /nfs/dbraw/zinc/59/15/76/499591576.db2.gz IPYWLDALFKJPQI-XNTDXEJSSA-N 0 2 353.353 3.021 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408802117 499595092 /nfs/dbraw/zinc/59/50/92/499595092.db2.gz DEGPCGSJNJSIOX-FOWTUZBSSA-N 0 2 350.374 3.060 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc(C)ccc3C)C2=O)c(C)c1 ZINC000408535380 499591981 /nfs/dbraw/zinc/59/19/81/499591981.db2.gz SMQPIQNVTWSPDM-LFIBNONCSA-N 0 2 363.417 3.499 40 10 FGCBLN COc1cc(N2N=C(C)C(C=Nc3c(C)nn(C)c3C)C2=O)ccc1Cl ZINC000408755209 499594802 /nfs/dbraw/zinc/59/48/02/499594802.db2.gz BXUARDDAUDOWJD-NTEUORMPSA-N 0 2 373.844 3.417 40 10 FGCBLN Cc1c(C=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c2ccccc2n1C ZINC000059249776 493902633 /nfs/dbraw/zinc/90/26/33/493902633.db2.gz HKGLEYSORBGRPN-ATVHPVEESA-N 0 2 373.412 3.462 40 10 FGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000013576304 494289326 /nfs/dbraw/zinc/28/93/26/494289326.db2.gz PXSWFOGPJIACMA-JLHYYAGUSA-N 0 2 356.765 3.015 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408788958 499594891 /nfs/dbraw/zinc/59/48/91/499594891.db2.gz GSDPMEYTUCBBLR-RVDMUPIBSA-N 0 2 370.792 3.405 40 10 FGCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408816672 499595101 /nfs/dbraw/zinc/59/51/01/499595101.db2.gz RZDQZLAPKZZKSC-FOWTUZBSSA-N 0 2 350.374 3.140 40 10 FGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408802296 499595081 /nfs/dbraw/zinc/59/50/81/499595081.db2.gz YBOHHVQUVIZQNM-DTQAZKPQSA-N 0 2 350.374 3.142 40 10 FGCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408810864 499595159 /nfs/dbraw/zinc/59/51/59/499595159.db2.gz JSOJGFFQXCOXQY-GXDHUFHOSA-N 0 2 356.765 3.015 40 10 FGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c1 ZINC000408879041 570694845 /nfs/dbraw/zinc/69/48/45/570694845.db2.gz DZGFVHFNFCWVIP-NTEUORMPSA-N 0 2 370.792 3.329 40 10 FGCBLN CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O ZINC000408989053 570708793 /nfs/dbraw/zinc/70/87/93/570708793.db2.gz JOVJLXVAGMFVMD-LGMDPLHJSA-N 0 2 364.401 3.314 40 10 FGCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O ZINC000408805577 499595202 /nfs/dbraw/zinc/59/52/02/499595202.db2.gz GWHSCXDQDZEHDV-NTEUORMPSA-N 0 2 370.792 3.323 40 10 FGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000408819082 499595219 /nfs/dbraw/zinc/59/52/19/499595219.db2.gz YCIMOIMQALUKQN-GHRIWEEISA-N 0 2 364.401 3.450 40 10 FGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408865483 570693707 /nfs/dbraw/zinc/69/37/07/570693707.db2.gz CSACEGNLLVGPMA-LFIBNONCSA-N 0 2 370.792 3.405 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408868372 570693945 /nfs/dbraw/zinc/69/39/45/570693945.db2.gz MGEDICXDUXZEAC-SFQUDFHCSA-N 0 2 350.374 3.060 40 10 FGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1 ZINC000408981340 570707314 /nfs/dbraw/zinc/70/73/14/570707314.db2.gz AUVALGPGJXTRMV-PDGQHHTCSA-N 0 2 364.401 3.232 40 10 FGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000001192605 132380848 /nfs/dbraw/zinc/38/08/48/132380848.db2.gz LYEYBSVNDFVEIX-XNTDXEJSSA-N 0 2 356.765 3.015 40 10 FGCBLN COc1cccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1O ZINC000059106158 493902236 /nfs/dbraw/zinc/90/22/36/493902236.db2.gz YSFNLLNKSLDBOD-LCYFTJDESA-N 0 2 356.309 3.047 40 10 FGCBLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C(N)=O ZINC000223282121 497035521 /nfs/dbraw/zinc/03/55/21/497035521.db2.gz RCGAGYIAQVGQDQ-UHFFFAOYSA-N 0 2 373.459 3.018 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc(Cl)c2)C1=O ZINC000408534143 499591676 /nfs/dbraw/zinc/59/16/76/499591676.db2.gz UZRPJNPDAHMVBE-RVDMUPIBSA-N 0 2 369.808 3.481 40 10 FGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 ZINC000408799750 499594785 /nfs/dbraw/zinc/59/47/85/499594785.db2.gz IFJOTTQFURYQPA-OQLLNIDSSA-N 0 2 370.792 3.323 40 10 FGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccccc2O)C1=O ZINC000408893311 570696240 /nfs/dbraw/zinc/69/62/40/570696240.db2.gz DSMRSBUTAHNVMZ-MDWZMJQESA-N 0 2 356.765 3.020 40 10 FGCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O ZINC000408902551 570697511 /nfs/dbraw/zinc/69/75/11/570697511.db2.gz JQSFTBPEVLPVLB-LFIBNONCSA-N 0 2 368.364 3.279 40 10 FGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3sccc3C)C2=O)cc1 ZINC000409002147 570711034 /nfs/dbraw/zinc/71/10/34/570711034.db2.gz YHWRRVIWGHGIEF-GXDHUFHOSA-N 0 2 356.403 3.122 40 10 FGCBLN CCCCCC(=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O ZINC000004984483 210180250 /nfs/dbraw/zinc/18/02/50/210180250.db2.gz XIJDBHLQUYAZJI-UHFFFAOYSA-N 0 2 370.357 3.047 40 10 in-vitro FGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 ZINC000408865378 570693858 /nfs/dbraw/zinc/69/38/58/570693858.db2.gz DEJZDPSQZZITRE-OQLLNIDSSA-N 0 2 370.792 3.323 40 10 FGCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccoc1 ZINC000409090581 570722236 /nfs/dbraw/zinc/72/22/36/570722236.db2.gz RJKBOPBKKPDTNH-RMKNXTFCSA-N 0 2 351.145 3.253 40 10 FGCBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/C=C/c1cccc([N+](=O)[O-])c1 ZINC000033323393 494058387 /nfs/dbraw/zinc/05/83/87/494058387.db2.gz FSUULLGJESJFBJ-ZRQJSYPSSA-N 0 2 369.764 3.266 40 10 FGCBLN O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2o1 ZINC000170552777 496720253 /nfs/dbraw/zinc/72/02/53/496720253.db2.gz FXUDYDRDFJRGCR-UHFFFAOYSA-N 0 2 373.415 3.045 40 10 FGCBLN CSc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408785038 499594737 /nfs/dbraw/zinc/59/47/37/499594737.db2.gz XEUUVBILOKAFST-LFIBNONCSA-N 0 2 352.415 3.383 40 10 FGCBLN CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408877450 570694678 /nfs/dbraw/zinc/69/46/78/570694678.db2.gz VYSYLEJGGHPJQY-MHWRWJLKSA-N 0 2 370.792 3.405 40 10 FGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=CC=Cc2ccco2)C1=O ZINC000409251225 570746687 /nfs/dbraw/zinc/74/66/87/570746687.db2.gz UDVPTSTUTBHKOX-MUGKHDKNSA-N 0 2 356.765 3.464 40 10 FGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(C)c3)C2=O)cc1 ZINC000408986926 570708325 /nfs/dbraw/zinc/70/83/25/570708325.db2.gz NVGVSVGDTJZKFH-ATVHPVEESA-N 0 2 364.401 3.232 40 10 FGCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 ZINC000408878424 570694835 /nfs/dbraw/zinc/69/48/35/570694835.db2.gz AOJUQCWMIBFFEY-LGMDPLHJSA-N 0 2 364.401 3.314 40 10 FGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(C)s2)C1=O ZINC000409239752 570743559 /nfs/dbraw/zinc/74/35/59/570743559.db2.gz DWYFHEVMZHVARC-JLHYYAGUSA-N 0 2 356.403 3.122 40 10 FGCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)N1 ZINC000018255989 211197065 /nfs/dbraw/zinc/19/70/65/211197065.db2.gz QKIIJMCRQXHKJH-FMQUCBEESA-N 0 2 371.378 3.104 40 10 FGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408777317 499594848 /nfs/dbraw/zinc/59/48/48/499594848.db2.gz YGOVICHWMLATCS-ZROIWOOFSA-N 0 2 370.792 3.323 40 10 FGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)o1 ZINC000408818858 499595171 /nfs/dbraw/zinc/59/51/71/499595171.db2.gz QVEXMXIPDMFSSS-FOWTUZBSSA-N 0 2 367.405 3.101 40 10 FGCBLN CCc1ccccc1NC=C1C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408535246 499592004 /nfs/dbraw/zinc/59/20/04/499592004.db2.gz YCPXJQVJWCJSLX-DTQAZKPQSA-N 0 2 363.417 3.390 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408807770 263497435 /nfs/dbraw/zinc/49/74/35/263497435.db2.gz KYMSGOXRHQHASX-ACCUITESSA-N 0 2 370.792 3.405 40 10 FGCBLN CC(C)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O ZINC000408601490 499592738 /nfs/dbraw/zinc/59/27/38/499592738.db2.gz KGPUVWFCBXARQU-SFQUDFHCSA-N 0 2 364.401 3.388 40 10 FGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408815479 499595175 /nfs/dbraw/zinc/59/51/75/499595175.db2.gz RKJJOMUZGMVGDG-OQLLNIDSSA-N 0 2 356.765 3.015 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000408876496 570694665 /nfs/dbraw/zinc/69/46/65/570694665.db2.gz LOOHYGKLFUSUAU-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(C)cc2C)C1=O ZINC000408533261 499591522 /nfs/dbraw/zinc/59/15/22/499591522.db2.gz RTZGFCYMXRCHTI-FOWTUZBSSA-N 0 2 363.417 3.445 40 10 FGCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408867174 570693641 /nfs/dbraw/zinc/69/36/41/570693641.db2.gz JEPCDLIFADANLB-OQLLNIDSSA-N 0 2 370.792 3.323 40 10 FGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1Cl ZINC000408780189 499594918 /nfs/dbraw/zinc/59/49/18/499594918.db2.gz VBEUCEKKHLTDPY-FLIBITNWSA-N 0 2 374.755 3.154 40 10 FGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl ZINC000408847921 570691663 /nfs/dbraw/zinc/69/16/63/570691663.db2.gz WWSIYDZJNDZLMZ-XYOKQWHBSA-N 0 2 362.719 3.285 40 10 FGCBLN CC(C)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000408866467 263503039 /nfs/dbraw/zinc/50/30/39/263503039.db2.gz HNNHXTQLCLUWPT-KAMYIIQDSA-N 0 2 368.364 3.279 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1C ZINC000408785996 499594880 /nfs/dbraw/zinc/59/48/80/499594880.db2.gz DJTGPONPKXTWSI-RIYZIHGNSA-N 0 2 370.792 3.329 40 10 FGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(Cl)c3)C2=O)cc1 ZINC000408875733 570694764 /nfs/dbraw/zinc/69/47/64/570694764.db2.gz KJODFVYVFXDILV-XNTDXEJSSA-N 0 2 356.765 3.015 40 10 FGCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000408963385 570704125 /nfs/dbraw/zinc/70/41/25/570704125.db2.gz ZFKZEZCEJYNISW-LICLKQGHSA-N 0 2 369.396 3.491 40 10 FGCBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408968241 570705038 /nfs/dbraw/zinc/70/50/38/570705038.db2.gz XNCRJVFLGYHSQI-YRNVUSSQSA-N 0 2 350.758 3.207 40 10 FGCBLN COc1cccc(/C=C2\C(=O)NN(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000226095639 497080692 /nfs/dbraw/zinc/08/06/92/497080692.db2.gz JPHVKVCZHNZGII-MDWZMJQESA-N 0 2 360.772 3.258 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1 ZINC000408818356 499595252 /nfs/dbraw/zinc/59/52/52/499595252.db2.gz XQYVGAQYODRYOU-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)s3)C2=O)cc1 ZINC000408965442 570704676 /nfs/dbraw/zinc/70/46/76/570704676.db2.gz HNMVBKNDKCJHRA-XYOKQWHBSA-N 0 2 362.794 3.077 40 10 FGCBLN O=C1NC(=S)S/C1=C\c1cc(Br)cc(Cl)c1O ZINC000013476303 220069646 /nfs/dbraw/zinc/06/96/46/220069646.db2.gz UCJRZERBHWQWEO-UQCOIBPSSA-N 0 2 350.646 3.297 40 10 FGCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000059502718 493907378 /nfs/dbraw/zinc/90/73/78/493907378.db2.gz LDQPUWFCSKVHRU-ZRDIBKRKSA-N 0 2 356.765 3.015 40 10 FGCBLN Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 ZINC000005678868 493939751 /nfs/dbraw/zinc/93/97/51/493939751.db2.gz LWTZTVSTHLFADX-LICLKQGHSA-N 0 2 352.365 3.417 40 10 FGCBLN Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408915049 499595095 /nfs/dbraw/zinc/59/50/95/499595095.db2.gz UCVQDYPCTOZJET-MHWRWJLKSA-N 0 2 363.348 3.282 40 10 FGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cccc(O)c2)C1=O ZINC000408938260 570701654 /nfs/dbraw/zinc/70/16/54/570701654.db2.gz PRLFULNNDOJBDV-LCYFTJDESA-N 0 2 356.765 3.020 40 10 FGCBLN O=c1[nH]cccc1N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000104124291 205997705 /nfs/dbraw/zinc/99/77/05/205997705.db2.gz KIJSBNNAQVSOOK-VXPUYCOJSA-N 0 2 355.379 3.398 40 10 FGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000408816224 499595115 /nfs/dbraw/zinc/59/51/15/499595115.db2.gz SZFMMYVFDXYXNT-LDADJPATSA-N 0 2 364.401 3.449 40 10 FGCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408962431 499595485 /nfs/dbraw/zinc/59/54/85/499595485.db2.gz RYAGCAZUKIPNMY-FKKWJZCKSA-N 0 2 362.385 3.226 40 10 FGCBLN CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c2ccccc21 ZINC000409392114 263555554 /nfs/dbraw/zinc/55/55/54/263555554.db2.gz LEMDFZDMUFYWGY-GZTJUZNOSA-N 0 2 374.400 3.284 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000006355113 493960192 /nfs/dbraw/zinc/96/01/92/493960192.db2.gz RHDKYRLIULJFHL-FOWTUZBSSA-N 0 2 350.374 3.060 40 10 FGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1 ZINC000408778899 499594913 /nfs/dbraw/zinc/59/49/13/499594913.db2.gz ZJVJDRJTNURWQS-NTEUORMPSA-N 0 2 370.792 3.274 40 10 FGCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1C ZINC000409072808 499595648 /nfs/dbraw/zinc/59/56/48/499595648.db2.gz LEEUNYKXTAHTCH-GZTJUZNOSA-N 0 2 351.406 3.100 40 10 FGCBLN C[C@@H]1Cc2cc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)ccc2O1 ZINC000588228539 506243577 /nfs/dbraw/zinc/24/35/77/506243577.db2.gz LOHFBMADEYULMM-WWNSAXIVSA-N 0 2 372.783 3.264 40 10 FGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2ccccc2O)C1=O ZINC000408890467 570695257 /nfs/dbraw/zinc/69/52/57/570695257.db2.gz UGGBGHPBKMRKBB-FMIVXFBMSA-N 0 2 356.765 3.020 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1C ZINC000408898447 570696503 /nfs/dbraw/zinc/69/65/03/570696503.db2.gz LJYAVFUVTANUOS-OQLLNIDSSA-N 0 2 370.792 3.329 40 10 FGCBLN O=C1NC(=S)S/C1=C\c1cc(Cl)cc(Br)c1O ZINC000013476307 206302945 /nfs/dbraw/zinc/30/29/45/206302945.db2.gz PCXDHHTZCKUWJH-UQCOIBPSSA-N 0 2 350.646 3.297 40 10 FGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC(C)C)cc2)C1=O ZINC000006479420 263345231 /nfs/dbraw/zinc/34/52/31/263345231.db2.gz LPIXLVNWAALHHH-SFQUDFHCSA-N 0 2 364.401 3.449 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000408780606 499594903 /nfs/dbraw/zinc/59/49/03/499594903.db2.gz GBCXPVYIXXSBLS-UKTHLTGXSA-N 0 2 358.756 3.454 40 10 FGCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408941565 570701580 /nfs/dbraw/zinc/70/15/80/570701580.db2.gz XBRBMRFLKCOHMV-LGMDPLHJSA-N 0 2 350.374 3.142 40 10 FGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408804618 263496139 /nfs/dbraw/zinc/49/61/39/263496139.db2.gz YYAZNJLJKMTQEL-GHRIWEEISA-N 0 2 350.374 3.142 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408784459 499594754 /nfs/dbraw/zinc/59/47/54/499594754.db2.gz RHWOVLQMWRWLCS-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408796108 499594770 /nfs/dbraw/zinc/59/47/70/499594770.db2.gz DREFDPJDAJLZEN-GHRIWEEISA-N 0 2 364.401 3.450 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000408817038 499595304 /nfs/dbraw/zinc/59/53/04/499595304.db2.gz ZNSYDBHQIYVASC-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408871614 570694383 /nfs/dbraw/zinc/69/43/83/570694383.db2.gz HUDDNXNHWQJKGA-CXUHLZMHSA-N 0 2 370.792 3.323 40 10 FGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016157347 494380456 /nfs/dbraw/zinc/38/04/56/494380456.db2.gz RMFAKWGDVHOSGV-GDNBJRDFSA-N 0 2 356.765 3.015 40 10 FGCBLN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(O)cc1 ZINC000408531362 499591588 /nfs/dbraw/zinc/59/15/88/499591588.db2.gz NUOSFTVBOQXGOT-SFQUDFHCSA-N 0 2 373.368 3.124 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408884348 263504528 /nfs/dbraw/zinc/50/45/28/263504528.db2.gz YPJPLMJRFVBHQR-UVTDQMKNSA-N 0 2 370.792 3.274 40 10 FGCBLN CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408604177 499592758 /nfs/dbraw/zinc/59/27/58/499592758.db2.gz UDEPARKHUQLEQV-LDADJPATSA-N 0 2 364.401 3.388 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 ZINC000408873175 570694328 /nfs/dbraw/zinc/69/43/28/570694328.db2.gz OBQCINFVHIBREC-QGOAFFKASA-N 0 2 364.401 3.314 40 10 FGCBLN CCC[NH+](CCC)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc1 ZINC000016678218 494398703 /nfs/dbraw/zinc/39/87/03/494398703.db2.gz VSJRWNCXGRVDSZ-JXMROGBWSA-N 0 2 358.398 3.181 40 10 FGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000059336663 493904789 /nfs/dbraw/zinc/90/47/89/493904789.db2.gz VAWKNIVGHDUOBF-MDWZMJQESA-N 0 2 374.755 3.154 40 10 FGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)c1 ZINC000408802889 499595206 /nfs/dbraw/zinc/59/52/06/499595206.db2.gz IVPPJZAIVASBMQ-SFQUDFHCSA-N 0 2 364.401 3.449 40 10 FGCBLN COc1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408961079 499595618 /nfs/dbraw/zinc/59/56/18/499595618.db2.gz AAJPOVAUYKDVIM-GFJWLWTISA-N 0 2 366.348 3.057 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408878858 570694646 /nfs/dbraw/zinc/69/46/46/570694646.db2.gz CSBYPYWBHDDJLE-FOWTUZBSSA-N 0 2 350.374 3.060 40 10 FGCBLN CCn1c(C)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1C ZINC000409120408 570728013 /nfs/dbraw/zinc/72/80/13/570728013.db2.gz VOFXMEYHCOJRJD-WOJGMQOQSA-N 0 2 365.433 3.408 40 10 FGCBLN CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000016102308 494376886 /nfs/dbraw/zinc/37/68/86/494376886.db2.gz BIEOQFVSIMNLLE-WJDWOHSUSA-N 0 2 369.808 3.072 40 10 FGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000408890887 570695326 /nfs/dbraw/zinc/69/53/26/570695326.db2.gz HZAHTDGBNVOOFB-XNTDXEJSSA-N 0 2 370.792 3.274 40 10 FGCBLN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000101527247 495071677 /nfs/dbraw/zinc/07/16/77/495071677.db2.gz MKGWRGMTPKGTHR-OQLLNIDSSA-N 0 2 368.305 3.015 40 10 FGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000408786620 499594733 /nfs/dbraw/zinc/59/47/33/499594733.db2.gz SXLPCQLGZQYHMA-RIYZIHGNSA-N 0 2 370.792 3.329 40 10 FGCBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O ZINC000408810831 499595167 /nfs/dbraw/zinc/59/51/67/499595167.db2.gz QBIKWEJGLIQPQB-JLHYYAGUSA-N 0 2 370.792 3.323 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(C)C)C2=O)cc1 ZINC000408799770 499595297 /nfs/dbraw/zinc/59/52/97/499595297.db2.gz KXGWYUSDXSOYLJ-SFQUDFHCSA-N 0 2 364.401 3.449 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1Cl ZINC000408986533 570707954 /nfs/dbraw/zinc/70/79/54/570707954.db2.gz MROBURGEXCHMDW-JYRVWZFOSA-N 0 2 356.765 3.020 40 10 FGCBLN O=C1C=CC(=NNc2ccc(S(=O)(=O)Nc3ccccn3)cc2)C(=O)N1 ZINC000104123669 209257719 /nfs/dbraw/zinc/25/77/19/209257719.db2.gz QKIIJMCRQXHKJH-VXPUYCOJSA-N 0 2 371.378 3.104 40 10 FGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1 ZINC000408810656 499595283 /nfs/dbraw/zinc/59/52/83/499595283.db2.gz JJTBKSNGIIZVHX-GHRIWEEISA-N 0 2 364.401 3.450 40 10 FGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3Cl)C2=O)cc1 ZINC000408739925 263494131 /nfs/dbraw/zinc/49/41/31/263494131.db2.gz GSFXGTGWROHHBW-RVDMUPIBSA-N 0 2 370.792 3.405 40 10 FGCBLN CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O ZINC000408883428 570694725 /nfs/dbraw/zinc/69/47/25/570694725.db2.gz UNRRSFJSRBQGRV-SSZFMOIBSA-N 0 2 364.401 3.314 40 10 FGCBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000409393165 570756440 /nfs/dbraw/zinc/75/64/40/570756440.db2.gz PJCFIGOSOMZGSA-FOWTUZBSSA-N 0 2 359.341 3.008 40 10 FGCBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl ZINC000209578866 571310115 /nfs/dbraw/zinc/31/01/15/571310115.db2.gz HPLVTXAMPPNFEI-LCYFTJDESA-N 0 2 370.792 3.323 40 10 FGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3sccc3C)C2=O)c1 ZINC000408999390 263515825 /nfs/dbraw/zinc/51/58/25/263515825.db2.gz KTCKHXOIXUONOU-GXDHUFHOSA-N 0 2 356.403 3.122 40 10 FGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016607867 211165191 /nfs/dbraw/zinc/16/51/91/211165191.db2.gz SWUNBHFXWVDCPI-HNNXBMFYSA-N 0 2 372.362 3.386 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000408797048 499594726 /nfs/dbraw/zinc/59/47/26/499594726.db2.gz FNWJVEPIAMKOIH-SDNWHVSQSA-N 0 2 370.792 3.405 40 10 FGCBLN Cc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)c1 ZINC000408915135 499595062 /nfs/dbraw/zinc/59/50/62/499595062.db2.gz VFQHCUXSBHJRGA-LICLKQGHSA-N 0 2 352.365 3.417 40 10 FGCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c(C)n1C ZINC000409220585 570742225 /nfs/dbraw/zinc/74/22/25/570742225.db2.gz BUDVJIZIHSTZTI-NTEUORMPSA-N 0 2 371.824 3.270 40 10 FGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100988542 222258940 /nfs/dbraw/zinc/25/89/40/222258940.db2.gz SWUNBHFXWVDCPI-OAHLLOKOSA-N 0 2 372.362 3.386 40 10 FGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000113832665 495331546 /nfs/dbraw/zinc/33/15/46/495331546.db2.gz IFJCMGOWUHGYTO-QGOAFFKASA-N 0 2 364.401 3.450 40 10 FGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 ZINC000408801362 499595182 /nfs/dbraw/zinc/59/51/82/499595182.db2.gz AEUIDOWBMRHUMM-GXDHUFHOSA-N 0 2 370.792 3.323 40 10 FGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(CC)c2C)C1=O ZINC000409072854 499595683 /nfs/dbraw/zinc/59/56/83/499595683.db2.gz DYPFNFMNOIWTBM-SFQUDFHCSA-N 0 2 365.433 3.354 40 10 FGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)cc1 ZINC000409074656 570718869 /nfs/dbraw/zinc/71/88/69/570718869.db2.gz UJVUNZQKCWMXAN-LDADJPATSA-N 0 2 365.433 3.354 40 10 FGCBLN O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccco1 ZINC000409207976 570739246 /nfs/dbraw/zinc/73/92/46/570739246.db2.gz AEGPSZGVNJQLKR-JXMROGBWSA-N 0 2 351.145 3.253 40 10 FGCBLN COc1cccc(NC2=NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3O)S2)c1 ZINC000033326768 494058907 /nfs/dbraw/zinc/05/89/07/494058907.db2.gz ODBFWDNWDHNEBT-OVCLIPMQSA-N 0 2 371.374 3.391 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl ZINC000408786717 499594908 /nfs/dbraw/zinc/59/49/08/499594908.db2.gz VBAUJKKBROHSRQ-GXDHUFHOSA-N 0 2 370.792 3.405 40 10 FGCBLN C[C@H]1Cc2cc(/C=C3\C(=O)NN(c4ccc(F)c(Cl)c4)C3=O)ccc2O1 ZINC000588228538 506243014 /nfs/dbraw/zinc/24/30/14/506243014.db2.gz LOHFBMADEYULMM-CEITULEQSA-N 0 2 372.783 3.264 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408809027 499595178 /nfs/dbraw/zinc/59/51/78/499595178.db2.gz HBNUVAPFVHYIAR-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408814248 499595238 /nfs/dbraw/zinc/59/52/38/499595238.db2.gz OOFKNMDEUFINCF-QGOAFFKASA-N 0 2 364.401 3.450 40 10 FGCBLN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408940768 570701525 /nfs/dbraw/zinc/70/15/25/570701525.db2.gz VAYFJMDEIXNYBX-AQTBWJFISA-N 0 2 364.401 3.450 40 10 FGCBLN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)cc([N+](=O)[O-])c1O ZINC000028911983 493807320 /nfs/dbraw/zinc/80/73/20/493807320.db2.gz NFEPTXYFVMKGQJ-ZROIWOOFSA-N 0 2 371.374 3.391 40 10 FGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000005774261 493942355 /nfs/dbraw/zinc/94/23/55/493942355.db2.gz LJPPZBAZUPSFBX-UVTDQMKNSA-N 0 2 360.291 3.372 40 10 FGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)o1 ZINC000006325599 493959411 /nfs/dbraw/zinc/95/94/11/493959411.db2.gz QJHHWQCLLNMBPC-NTCAYCPXSA-N 0 2 367.405 3.101 40 10 FGCBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408807768 499595149 /nfs/dbraw/zinc/59/51/49/499595149.db2.gz KYLQBHNNZITBHH-XNTDXEJSSA-N 0 2 370.792 3.405 40 10 FGCBLN CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)c1 ZINC000408877171 570694800 /nfs/dbraw/zinc/69/48/00/570694800.db2.gz SQQXLISFMHZWCG-LGMDPLHJSA-N 0 2 364.401 3.314 40 10 FGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2sccc2C)C1=O ZINC000409242600 570746210 /nfs/dbraw/zinc/74/62/10/570746210.db2.gz OXVGNYJIUAEJMY-ZRDIBKRKSA-N 0 2 356.403 3.122 40 10 FGCBLN O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000018153246 211192569 /nfs/dbraw/zinc/19/25/69/211192569.db2.gz QSBBSKSGACMGTB-FMQUCBEESA-N 0 2 355.379 3.398 40 10 FGCBLN CC(=O)c1ccc(N2N=C(C)C(=Cc3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000005954275 493946509 /nfs/dbraw/zinc/94/65/09/493946509.db2.gz MKZPKPKIYVLTPO-SXGWCWSVSA-N 0 2 365.345 3.309 40 10 FGCBLN Cc1ccc(N2CC(C3C(=O)CN(c4ccc(C)cc4)C3=O)=CC2=O)cc1 ZINC000217424699 496998513 /nfs/dbraw/zinc/99/85/13/496998513.db2.gz SUHPOVLTUYWLGC-UHFFFAOYSA-N 0 2 360.413 3.435 40 10 FGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1C ZINC000408785426 499594906 /nfs/dbraw/zinc/59/49/06/499594906.db2.gz YVSQZWBQUCYKNW-MDWZMJQESA-N 0 2 370.792 3.329 40 10 FGCBLN CC(C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O ZINC000408913133 499595193 /nfs/dbraw/zinc/59/51/93/499595193.db2.gz KZSACCLUKNBEMA-MHWRWJLKSA-N 0 2 368.364 3.279 40 10 FGCBLN O=C1NC(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccco1 ZINC000409103859 499595768 /nfs/dbraw/zinc/59/57/68/499595768.db2.gz XENJPPZURKFKSE-VQHVLOKHSA-N 0 2 351.145 3.253 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000408866403 570693948 /nfs/dbraw/zinc/69/39/48/570693948.db2.gz FOPPKHCPLWTTTA-LFIBNONCSA-N 0 2 370.792 3.405 40 10 FGCBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000408883061 570695340 /nfs/dbraw/zinc/69/53/40/570695340.db2.gz SWUXVMFVLRGCHV-OQLLNIDSSA-N 0 2 356.765 3.015 40 10 FGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000005247656 493921515 /nfs/dbraw/zinc/92/15/15/493921515.db2.gz JEVQATLVQFDDMI-WJDWOHSUSA-N 0 2 370.792 3.405 40 10 FGCBLN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000004976929 493904994 /nfs/dbraw/zinc/90/49/94/493904994.db2.gz WQFOKEUAYINDNF-UHFFFAOYSA-N 0 2 363.178 3.408 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3F)C2=O)cc1Cl ZINC000108247201 494668387 /nfs/dbraw/zinc/66/83/87/494668387.db2.gz JHXSUBRNAJEGAF-JYRVWZFOSA-N 0 2 358.756 3.454 40 10 FGCBLN CC(C)Oc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408812743 499595090 /nfs/dbraw/zinc/59/50/90/499595090.db2.gz MIYMVGBSLYOGFF-SFQUDFHCSA-N 0 2 350.374 3.140 40 10 FGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3O)C2=O)c(C)c1 ZINC000408886973 570695373 /nfs/dbraw/zinc/69/53/73/570695373.db2.gz NEIHKQJEXDQCOY-NTEUORMPSA-N 0 2 370.792 3.329 40 10 FGCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O ZINC000408811611 499595108 /nfs/dbraw/zinc/59/51/08/499595108.db2.gz VXFIADCLNDBZMR-XNTDXEJSSA-N 0 2 370.792 3.323 40 10 FGCBLN O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000408963918 570704254 /nfs/dbraw/zinc/70/42/54/570704254.db2.gz AQOPFYDWKACSLL-VQHVLOKHSA-N 0 2 350.758 3.207 40 10 FGCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408869249 570694231 /nfs/dbraw/zinc/69/42/31/570694231.db2.gz QBTOCONXXKMSIF-OQLLNIDSSA-N 0 2 356.765 3.015 40 10 FGCBLN CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 ZINC000408984264 570708086 /nfs/dbraw/zinc/70/80/86/570708086.db2.gz ILUVGNOZUFELIK-AQTBWJFISA-N 0 2 364.401 3.314 40 10 FGCBLN O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=CO ZINC000100962823 132233496 /nfs/dbraw/zinc/23/34/96/132233496.db2.gz KLCVFIVKKSFTLK-BOPFTXTBSA-N 0 2 366.417 3.179 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408776915 499594965 /nfs/dbraw/zinc/59/49/65/499594965.db2.gz SAFZQJLNXHJXDA-LDADJPATSA-N 0 2 364.401 3.369 40 10 FGCBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 ZINC000408874237 570694356 /nfs/dbraw/zinc/69/43/56/570694356.db2.gz AJLIOBCJLRZDJP-SFQUDFHCSA-N 0 2 364.401 3.369 40 10 FGCBLN O=C1C=CC=NC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000104124441 222350372 /nfs/dbraw/zinc/35/03/72/222350372.db2.gz QSBBSKSGACMGTB-VXPUYCOJSA-N 0 2 355.379 3.398 40 10 FGCBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000006479383 263344968 /nfs/dbraw/zinc/34/49/68/263344968.db2.gz WUYVQUAAYVVORN-GXDHUFHOSA-N 0 2 370.792 3.323 40 10 FGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1 ZINC000059106203 493902578 /nfs/dbraw/zinc/90/25/78/493902578.db2.gz BAFNHVPHWRIXQV-NTEUORMPSA-N 0 2 355.281 3.241 40 10 FGCBLN COc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408872800 570694177 /nfs/dbraw/zinc/69/41/77/570694177.db2.gz IYXOSNJZCOCKRM-CXUHLZMHSA-N 0 2 370.792 3.323 40 10 FGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)ccc2O)C1=O ZINC000408893761 570695074 /nfs/dbraw/zinc/69/50/74/570695074.db2.gz HJHNEFUGCDFWOB-UKTHLTGXSA-N 0 2 356.765 3.020 40 10 FGCBLN Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000409330988 570750321 /nfs/dbraw/zinc/75/03/21/570750321.db2.gz DAHBKKWWTOIMPQ-HJWRWDBZSA-N 0 2 352.350 3.374 40 10 FGCBLN CCN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001085290 132380068 /nfs/dbraw/zinc/38/00/68/132380068.db2.gz HZSNRTFTOUUFRA-QGOAFFKASA-N 0 2 363.417 3.118 40 10 FGCBLN COc1cc(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408884329 570694853 /nfs/dbraw/zinc/69/48/53/570694853.db2.gz TVCAJENFDUVWOF-JYRVWZFOSA-N 0 2 374.755 3.154 40 10 FGCBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000001233260 132381244 /nfs/dbraw/zinc/38/12/44/132381244.db2.gz MYRKLVZIUAHQBN-NBVRZTHBSA-N 0 2 363.417 3.199 40 10 FGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000408819049 499595257 /nfs/dbraw/zinc/59/52/57/499595257.db2.gz XWICFGSQMRFDPD-SFQUDFHCSA-N 0 2 350.374 3.060 40 10 FGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000408882684 570695357 /nfs/dbraw/zinc/69/53/57/570695357.db2.gz QEQYJMDKWNMNCL-RIYZIHGNSA-N 0 2 356.765 3.020 40 10 FGCBLN