smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2oc(-c3cccc(/N=C/c4ccc(O)cc4[O-])c3C)nc2c1 ZINC000000793655 570456533 /nfs/dbraw/zinc/45/65/33/570456533.db2.gz KGQBRWGMDPBDJN-FSJBWODESA-N -1 3 358.397 5.273 40 30 FKEBHM Cc1ccc2oc(-c3cccc(/N=C/c4ccc([O-])cc4O)c3C)nc2c1 ZINC000000793655 570456531 /nfs/dbraw/zinc/45/65/31/570456531.db2.gz KGQBRWGMDPBDJN-FSJBWODESA-N -1 3 358.397 5.273 40 30 FKEBHM [O-]c1cc(O)ccc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000000802262 219323199 /nfs/dbraw/zinc/32/31/99/219323199.db2.gz XDCOZWUXZNESBT-SSDVNMTOSA-N -1 3 364.788 5.310 40 30 FKEBHM [O-]c1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(O)c1 ZINC000000802262 219323195 /nfs/dbraw/zinc/32/31/95/219323195.db2.gz XDCOZWUXZNESBT-SSDVNMTOSA-N -1 3 364.788 5.310 40 30 FKEBHM CC(C)(C)c1ccc([O-])c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000000826556 219327686 /nfs/dbraw/zinc/32/76/86/219327686.db2.gz XDAHBLZGDOQIJQ-LPYMAVHISA-N -1 3 364.401 5.609 40 30 FKEBHM CC(C)(C)c1ccc([O-])c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000000826569 206133970 /nfs/dbraw/zinc/13/39/70/206133970.db2.gz KZBMZXAHZGTLCM-YDZHTSKRSA-N -1 3 353.849 6.354 40 30 FKEBHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(Br)cc1 ZINC000000829442 571166419 /nfs/dbraw/zinc/16/64/19/571166419.db2.gz WXERVCMPESLFEG-CIAFOILYSA-N -1 3 369.262 5.313 40 30 FKEBHM CC(C)(C)c1cc(Br)cc(/C=N/c2ccccc2C#N)c1[O-] ZINC000000865480 206136609 /nfs/dbraw/zinc/13/66/09/206136609.db2.gz GFEYDMUHQSVHQR-SRZZPIQSSA-N -1 3 357.251 5.074 40 30 FKEBHM Cc1ccc([O-])c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1 ZINC000001107660 571310178 /nfs/dbraw/zinc/31/01/78/571310178.db2.gz AHGUBYTXFZGAIO-FSJBWODESA-N -1 3 358.353 5.436 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1c(-c2ccco2)nc2cc(Cl)ccn21 ZINC000001231416 219390972 /nfs/dbraw/zinc/39/09/72/219390972.db2.gz AOMHYVJDMBHEJK-UFFVCSGVSA-N -1 3 372.211 5.357 40 30 FKEBHM O=C(Oc1ccc(/C=N/c2ccc([O-])cc2)cc1)c1ccccc1Cl ZINC000001431115 526438650 /nfs/dbraw/zinc/43/86/50/526438650.db2.gz KISNODSOWWCOSA-LPYMAVHISA-N -1 3 351.789 5.015 40 30 FKEBHM [O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1 ZINC000001436307 570499968 /nfs/dbraw/zinc/49/99/68/570499968.db2.gz UXUVCQINWCTETB-ZMOGYAJESA-N -1 3 357.331 5.954 40 30 FKEBHM O=C(Nc1cccc(/N=C/c2c([O-])ccc3ccccc32)c1)c1ccco1 ZINC000001512342 204011207 /nfs/dbraw/zinc/01/12/07/204011207.db2.gz HWDAKOSVDJWDRM-OEAKJJBVSA-N -1 3 356.381 5.141 40 30 FKEBHM CCCCCCCCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1[O-] ZINC000001683573 571248736 /nfs/dbraw/zinc/24/87/36/571248736.db2.gz OZDDKSQRJSWQSV-UHFFFAOYSA-N -1 3 360.881 6.230 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccccc1-c1nc2ccccc2s1 ZINC000001950647 570612724 /nfs/dbraw/zinc/61/27/24/570612724.db2.gz YSJXEONDOOKZRE-WSDLNYQXSA-N -1 3 364.857 6.073 40 30 FKEBHM Cc1cc(O)c(/C=N/c2cc(-c3ccccc3)ccc2[O-])c(C)c1Cl ZINC000003033543 571343841 /nfs/dbraw/zinc/34/38/41/571343841.db2.gz WIHZVEDXOBHMJZ-FSJBWODESA-N -1 3 351.833 5.786 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000003042705 571344010 /nfs/dbraw/zinc/34/40/10/571344010.db2.gz FWFPUMFJJANQDI-FOKLQQMPSA-N -1 3 366.779 5.744 40 30 FKEBHM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1 ZINC000003066522 206159304 /nfs/dbraw/zinc/15/93/04/206159304.db2.gz HNSQKMGGTFVDQV-MFKUBSTISA-N -1 3 370.452 6.249 40 30 FKEBHM Cc1ccc([O-])c(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000003068150 525333185 /nfs/dbraw/zinc/33/31/85/525333185.db2.gz IDKFOIKGQNGHEL-YDZHTSKRSA-N -1 3 365.816 5.324 40 30 FKEBHM Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c([O-])c1 ZINC000003068161 525968089 /nfs/dbraw/zinc/96/80/89/525968089.db2.gz QTXYOYXYVAFXMK-YDZHTSKRSA-N -1 3 365.816 5.324 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(-c2nc3ccccc3s2)cc1 ZINC000003096809 571344679 /nfs/dbraw/zinc/34/46/79/571344679.db2.gz WDXLUBAOLWUENR-WSDLNYQXSA-N -1 3 364.857 6.073 40 30 FKEBHM CC(=O)Nc1cc(Cl)c(/N=C/c2c([O-])ccc3ccccc32)cc1Cl ZINC000003101487 571344698 /nfs/dbraw/zinc/34/46/98/571344698.db2.gz PVOIZSUIEZLXPI-LSHDLFTRSA-N -1 3 373.239 5.561 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1cccc2c(-c3ccccc3)ccnc12 ZINC000003122960 570551929 /nfs/dbraw/zinc/55/19/29/570551929.db2.gz KPLLIUPNPRJSKQ-AFUMVMLFSA-N -1 3 358.828 6.011 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)cc1 ZINC000003127107 571293483 /nfs/dbraw/zinc/29/34/83/571293483.db2.gz MHANJYLLODFOOX-GZIVZEMBSA-N -1 3 361.722 5.075 40 30 FKEBHM CCN(CC)c1ccc(/C=N/N=C(c2ccccc2)c2ccccc2)c([O-])c1 ZINC000003243855 570887368 /nfs/dbraw/zinc/88/73/68/570887368.db2.gz KMXMWTWCMDZJJY-XIEYBQDHSA-N -1 3 371.484 5.110 40 30 FKEBHM Cc1nn(Cc2ccccc2)c(C)c1/N=C\c1c([O-])ccc2ccccc21 ZINC000004520453 570898628 /nfs/dbraw/zinc/89/86/28/570898628.db2.gz WDWKFYQWSLFREM-OYKKKHCWSA-N -1 3 355.441 5.158 40 30 FKEBHM CC(=NNc1ccccc1Br)c1ccc2ccccc2c1[O-] ZINC000004582006 206180030 /nfs/dbraw/zinc/18/00/30/206180030.db2.gz DCPPHZYKXUFSGG-NDENLUEZSA-N -1 3 355.235 5.144 40 30 FKEBHM Cc1nc(-c2ccccc2)nc(NN=Cc2c([O-])ccc3ccccc32)c1C ZINC000004595686 570597226 /nfs/dbraw/zinc/59/72/26/570597226.db2.gz SAWMATWOCYMQJN-ZVHZXABRSA-N -1 3 368.440 5.065 40 30 FKEBHM [O-]c1ccc2ccccc2c1CN=Nc1cc(Cl)nc(-c2ccccc2)n1 ZINC000004713165 570671000 /nfs/dbraw/zinc/67/10/00/570671000.db2.gz BXQJPFWARNPJDC-YDZHTSKRSA-N -1 3 374.831 5.102 40 30 FKEBHM [O-]c1ccc(/C=N/c2ccc3nn(-c4ccccc4)nc3c2)c2ccccc12 ZINC000004917892 570674196 /nfs/dbraw/zinc/67/41/96/570674196.db2.gz JGEGHMWHWMNWQM-BUVRLJJBSA-N -1 3 364.408 5.030 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/N(Cc1ccccc1)c1ccccc1 ZINC000004920147 526354080 /nfs/dbraw/zinc/35/40/80/526354080.db2.gz NHQRWPTYSVPDNO-KOEQRZSOSA-N -1 3 352.437 5.586 40 30 FKEBHM CCOC(=O)c1ccc(-c2ccc(/C=N/c3cc(C)cc(C)c3[O-])o2)cc1 ZINC000005461778 521459685 /nfs/dbraw/zinc/45/96/85/521459685.db2.gz XINBRUUOHDSMIK-YDZHTSKRSA-N -1 3 363.413 5.196 40 30 FKEBHM CCc1ccc([O-])c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1 ZINC000005470611 207101977 /nfs/dbraw/zinc/10/19/77/207101977.db2.gz UCFJBHHFRZGSCJ-CIAFOILYSA-N -1 3 350.374 5.182 40 30 FKEBHM Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Cl)ccc1[O-] ZINC000005530150 207103684 /nfs/dbraw/zinc/10/36/84/207103684.db2.gz XPOPIFCUXPXHAC-FSJBWODESA-N -1 3 361.832 5.648 40 30 FKEBHM Cc1cc(/N=C/c2cc(Cl)ccc2[O-])ccc1NC(=O)c1ccccc1 ZINC000005540852 570629847 /nfs/dbraw/zinc/62/98/47/570629847.db2.gz RYJOPJIRLPQYJV-YDZHTSKRSA-N -1 3 364.832 5.357 40 30 FKEBHM O=C(Nc1ccccc1)O/N=C(\c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000005584455 204217212 /nfs/dbraw/zinc/21/72/12/204217212.db2.gz FNNSQJNZLKHZOB-FCDQGJHFSA-N -1 3 366.804 5.047 40 30 FKEBHM Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cc3ccccc3cc2[O-])cc1 ZINC000005588193 571069794 /nfs/dbraw/zinc/06/97/94/571069794.db2.gz JBBGNFHFBDDWAD-UHFFFAOYSA-N -1 3 366.464 6.353 40 30 FKEBHM CCCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c([O-])c1 ZINC000005591296 520323457 /nfs/dbraw/zinc/32/34/57/520323457.db2.gz JSUCPPJDFXIXHP-AWQFTUOYSA-N -1 3 373.667 5.587 40 30 FKEBHM N#Cc1c(/N=C/c2ccc([O-])cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000005604438 263342580 /nfs/dbraw/zinc/34/25/80/263342580.db2.gz NSNWTBIWGSYNFF-WGOQTCKBSA-N -1 3 364.404 5.941 40 30 FKEBHM CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccc2ccccc2c1[O-] ZINC000005612730 263342341 /nfs/dbraw/zinc/34/23/41/263342341.db2.gz OQFNZVHHBYEVQW-WSDLNYQXSA-N -1 3 354.793 5.172 40 30 FKEBHM CC(=NOC(=O)Nc1cccc(Cl)c1)c1ccc2ccccc2c1[O-] ZINC000005612733 263342211 /nfs/dbraw/zinc/34/22/11/263342211.db2.gz YIZCMNDSMBEMMS-WSDLNYQXSA-N -1 3 354.793 5.172 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=NNc1cc(C(F)(F)F)ccc1Cl ZINC000005739809 570967545 /nfs/dbraw/zinc/96/75/45/570967545.db2.gz XRQJHZDPPPVZQF-AUEPDCJTSA-N -1 3 364.754 5.664 40 30 FKEBHM CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])c1 ZINC000005841440 570637050 /nfs/dbraw/zinc/63/70/50/570637050.db2.gz GQEDEBZCSIIJPQ-PCLIKHOPSA-N -1 3 372.468 5.328 40 30 FKEBHM C=C(C)[C@H](CCc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)[C@H](C)CC ZINC000005953907 570968184 /nfs/dbraw/zinc/96/81/84/570968184.db2.gz AUTQGTNTUWGZPT-CVEARBPZSA-N -1 3 354.490 5.548 40 30 FKEBHM C=C(C)[C@@H](CCc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)[C@H](C)CC ZINC000005953913 571103355 /nfs/dbraw/zinc/10/33/55/571103355.db2.gz AUTQGTNTUWGZPT-HZPDHXFCSA-N -1 3 354.490 5.548 40 30 FKEBHM C=C(C)[C@H](CCc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)[C@@H](C)CC ZINC000005954047 570968364 /nfs/dbraw/zinc/96/83/64/570968364.db2.gz AUTQGTNTUWGZPT-HOTGVXAUSA-N -1 3 354.490 5.548 40 30 FKEBHM C=C(C)[C@@H](CCc1c([O-])ccc2c3c(c(=O)oc21)CCCC3)[C@@H](C)CC ZINC000005954053 210107221 /nfs/dbraw/zinc/10/72/21/210107221.db2.gz AUTQGTNTUWGZPT-JKSUJKDBSA-N -1 3 354.490 5.548 40 30 FKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)cc(C)c2[O-])c1 ZINC000006263821 263344533 /nfs/dbraw/zinc/34/45/33/263344533.db2.gz UQNQPEXXLGTDHV-UFFVCSGVSA-N -1 3 365.260 5.497 40 30 FKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cl)ccc2[O-])c1 ZINC000006263832 263344354 /nfs/dbraw/zinc/34/43/54/263344354.db2.gz QSNOOEIHHMSTMY-KEBDBYFISA-N -1 3 351.233 5.188 40 30 FKEBHM [O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc(N2CCCCC2)cc1 ZINC000006269624 526345288 /nfs/dbraw/zinc/34/52/88/526345288.db2.gz RXFOFANKTHQMMA-LGUFXXKBSA-N -1 3 370.496 5.724 40 30 FKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-] ZINC000006387507 520734270 /nfs/dbraw/zinc/73/42/70/520734270.db2.gz AMBXLGSJCWYTJT-HYARGMPZSA-N -1 3 358.869 5.185 40 30 FKEBHM CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cc1 ZINC000006396568 570646519 /nfs/dbraw/zinc/64/65/19/570646519.db2.gz LLDGGNLSKXULBN-LFVJCYFKSA-N -1 3 358.441 5.082 40 30 FKEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Cl)cc(OCC)c2[O-])c1 ZINC000006396817 571310256 /nfs/dbraw/zinc/31/02/56/571310256.db2.gz PDVQDIZOODLGOS-LPYMAVHISA-N -1 3 374.868 5.324 40 30 FKEBHM CCOc1ccc(/C=N/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1 ZINC000006439595 520853566 /nfs/dbraw/zinc/85/35/66/520853566.db2.gz ZKNGVALBBSASSF-BUVRLJJBSA-N -1 3 365.860 5.786 40 30 FKEBHM CC[C@@H](C)c1ccccc1/N=C/c1cc(Br)cc(OC)c1[O-] ZINC000006440238 571310183 /nfs/dbraw/zinc/31/01/83/571310183.db2.gz PXVVVQVVWIHIRH-ZICWZVMQSA-N -1 3 362.267 5.427 40 30 FKEBHM CC[C@H](C)c1ccccc1/N=C/c1cc(Br)cc(OC)c1[O-] ZINC000006449786 571310230 /nfs/dbraw/zinc/31/02/30/571310230.db2.gz PXVVVQVVWIHIRH-DQAKUKQTSA-N -1 3 362.267 5.427 40 30 FKEBHM COc1ccc(-c2csc(/N=C/c3c([O-])ccc4ccccc43)n2)cc1 ZINC000006484563 570647806 /nfs/dbraw/zinc/64/78/06/570647806.db2.gz BDLJIFOLQMOTRZ-WSDLNYQXSA-N -1 3 360.438 5.428 40 30 FKEBHM O=C(Nc1ccc(/N=C/c2ccccc2[O-])cc1)c1cccc(Cl)c1 ZINC000006528540 571310375 /nfs/dbraw/zinc/31/03/75/571310375.db2.gz OOZWTYVIOYHCDU-LPYMAVHISA-N -1 3 350.805 5.049 40 30 FKEBHM CCOc1cc(Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-] ZINC000006570161 263345964 /nfs/dbraw/zinc/34/59/64/263345964.db2.gz QDMQLBHZUMTXCH-HYARGMPZSA-N -1 3 358.869 5.185 40 30 FKEBHM Cc1cc(Br)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-] ZINC000006613122 570650154 /nfs/dbraw/zinc/65/01/54/570650154.db2.gz IYTJBCXIQCCOCT-FYJGNVAPSA-N -1 3 373.294 5.204 40 30 FKEBHM CC(=O)c1cccc(N=Cc2cc(Cc3ccccc3Cl)ccc2[O-])c1 ZINC000006692852 204261282 /nfs/dbraw/zinc/26/12/82/204261282.db2.gz QIYCVOWXXVDCGA-ZVHZXABRSA-N -1 3 363.844 5.590 40 30 FKEBHM CCOc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c([O-])c1 ZINC000006758773 568033140 /nfs/dbraw/zinc/03/31/40/568033140.db2.gz MXCFOYREVNGOOE-UFWORHAWSA-N -1 3 359.640 5.197 40 30 FKEBHM Cc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-] ZINC000006792844 570654449 /nfs/dbraw/zinc/65/44/49/570654449.db2.gz CDUKPMJFGXQEKE-FYJGNVAPSA-N -1 3 373.294 5.204 40 30 FKEBHM COc1ccc(/C=C/C(=N\N=C/c2ccccc2[O-])c2ccc(F)cc2)cc1 ZINC000008637750 523383846 /nfs/dbraw/zinc/38/38/46/523383846.db2.gz GFTFCQRPCUHCEL-CPKSCVCBSA-N -1 3 374.415 5.077 40 30 FKEBHM COc1ccc(/C=C\C(=N\N=C/c2ccccc2[O-])c2ccc(F)cc2)cc1 ZINC000008637751 523429041 /nfs/dbraw/zinc/42/90/41/523429041.db2.gz GFTFCQRPCUHCEL-GJOGTRCSSA-N -1 3 374.415 5.077 40 30 FKEBHM CCOc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011864643 570710454 /nfs/dbraw/zinc/71/04/54/570710454.db2.gz UCDFVJIWJUKOQD-DNTJNYDQSA-N -1 3 374.651 5.433 40 30 FKEBHM COc1cc(/C=N/[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000011946786 570807810 /nfs/dbraw/zinc/80/78/10/570807810.db2.gz MISLRQQIELEHRC-FBCYGCLPSA-N -1 3 360.624 5.043 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000013230307 570824876 /nfs/dbraw/zinc/82/48/76/570824876.db2.gz IGYCILOUXGUCMY-MFKUBSTISA-N -1 3 363.420 5.839 40 30 FKEBHM Cc1[n-]n(-c2ccccc2)c(=S)c1C(=Nc1ccccc1)c1ccccc1 ZINC000016249401 570852987 /nfs/dbraw/zinc/85/29/87/570852987.db2.gz VFFRUBYEEYJFAU-ZNTNEXAZSA-N -1 3 369.493 5.639 40 30 FKEBHM [O-]c1ccccc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3s2)c1 ZINC000016449076 211161731 /nfs/dbraw/zinc/16/17/31/211161731.db2.gz ZMTSWVJBPCMIMD-WSDLNYQXSA-N -1 3 364.857 6.073 40 30 FKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Cl)cc1 ZINC000016450180 220185850 /nfs/dbraw/zinc/18/58/50/220185850.db2.gz ZANIDUKZLRTMIJ-YDZHTSKRSA-N -1 3 356.252 6.040 40 30 FKEBHM [O-]c1ccc(Br)cc1/C=N\c1ccc(Cl)c2cccnc12 ZINC000016662108 570859964 /nfs/dbraw/zinc/85/99/64/570859964.db2.gz HFPZHIOMOQVMTB-UKWGHVSLSA-N -1 3 361.626 5.107 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2cn3ccccc3n2)cc1 ZINC000016676156 570860011 /nfs/dbraw/zinc/86/00/11/570860011.db2.gz QCNGURAQQCHBDL-MFKUBSTISA-N -1 3 363.420 5.611 40 30 FKEBHM CCOc1cc(Br)cc(/C=N/c2ccc3ccccc3c2)c1[O-] ZINC000016688217 570860555 /nfs/dbraw/zinc/86/05/55/570860555.db2.gz CTKWDKWBRMJARY-CIAFOILYSA-N -1 3 370.246 5.457 40 30 FKEBHM COc1ccc(/C=C\C(=N/N=C\c2ccccc2[O-])c2ccc(F)cc2)cc1 ZINC000016922745 523429121 /nfs/dbraw/zinc/42/91/21/523429121.db2.gz GFTFCQRPCUHCEL-DFTUQWSRSA-N -1 3 374.415 5.077 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\Sc1ccc(Br)cc1 ZINC000017062374 570865491 /nfs/dbraw/zinc/86/54/91/570865491.db2.gz VZRQUKIHINCHGV-ODLFYWEKSA-N -1 3 358.260 5.434 40 30 FKEBHM [O-]c1ccccc1/C=N/c1ccc2nc(SC3CCCC3)sc2c1 ZINC000017125650 220207781 /nfs/dbraw/zinc/20/77/81/220207781.db2.gz SXLSRNLUMQZPMQ-UDWIEESQSA-N -1 3 354.500 5.787 40 30 FKEBHM CCCCCCSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000017125653 211181498 /nfs/dbraw/zinc/18/14/98/211181498.db2.gz AIFIUKHBQFRURN-KGENOOAVSA-N -1 3 370.543 6.425 40 30 FKEBHM Cc1ccc([O-])c(-c2cc(-c3ccccc3)nc(/N=C\c3ccccc3)n2)c1 ZINC000017261205 525333216 /nfs/dbraw/zinc/33/32/16/525333216.db2.gz URHOGTCCBLCWCS-XYGWBWBKSA-N -1 3 365.436 5.575 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(CSc2ccccc2)cc1 ZINC000020242212 571305069 /nfs/dbraw/zinc/30/50/69/571305069.db2.gz MEPDEIUYFXUPRM-PCLIKHOPSA-N -1 3 369.489 6.588 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N\c1cccc2c(-c3ccccc3)ccnc12 ZINC000025693701 570999311 /nfs/dbraw/zinc/99/93/11/570999311.db2.gz KPLLIUPNPRJSKQ-QFEZKATASA-N -1 3 358.828 6.011 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Br)c(Cl)c1 ZINC000032101509 571056352 /nfs/dbraw/zinc/05/63/52/571056352.db2.gz IIEZSSLNBBFQHN-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Cl)cc1Br ZINC000032101520 208026349 /nfs/dbraw/zinc/02/63/49/208026349.db2.gz AEIJLCQMRSSRSB-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Cl)c(Br)c1 ZINC000032101523 571056417 /nfs/dbraw/zinc/05/64/17/571056417.db2.gz ZCABAIVVKCTNNM-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N/c2ccc(Br)c(Cl)c2)ccc2ccccc12 ZINC000032101659 571056911 /nfs/dbraw/zinc/05/69/11/571056911.db2.gz WFZAUSVKPJSZIL-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N/c2ccc(Cl)cc2Br)ccc2ccccc12 ZINC000032101694 571056979 /nfs/dbraw/zinc/05/69/79/571056979.db2.gz BWIZWANOEHYZIH-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N/c2ccc(Cl)c(Br)c2)ccc2ccccc12 ZINC000032101697 208025298 /nfs/dbraw/zinc/02/52/98/208025298.db2.gz GYOMIQWMDLGDRK-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(C)c2[O-])cc1OC ZINC000032115269 208025017 /nfs/dbraw/zinc/02/50/17/208025017.db2.gz RQNIVSJIHPSURO-WSDLNYQXSA-N -1 3 374.868 5.242 40 30 FKEBHM [O-]c1c(/C=N\c2ccc(Br)cc2Cl)ccc2ccccc12 ZINC000032194198 571057414 /nfs/dbraw/zinc/05/74/14/571057414.db2.gz SOHCAKFFDPHBMU-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM N#Cc1c([N-]C(=O)c2cc3cc(Cl)ccc3o2)sc2c1CCCC2 ZINC000039897578 571065636 /nfs/dbraw/zinc/06/56/36/571065636.db2.gz OSTUYMHUIIVSNU-UHFFFAOYSA-N -1 3 356.834 5.150 40 30 FKEBHM CCCCCCCCCCCCCCOC(=O)c1cc(O)c([O-])c(O)c1 ZINC000049878676 221028777 /nfs/dbraw/zinc/02/87/77/221028777.db2.gz BQWQGCZOPQEUIQ-UHFFFAOYSA-N -1 3 366.498 5.661 40 30 FKEBHM Cc1c(Br)c(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccccc1 ZINC000059104620 571087060 /nfs/dbraw/zinc/08/70/60/571087060.db2.gz MSEQIRKLZXRNFK-CIAFOILYSA-N -1 3 369.262 5.313 40 30 FKEBHM Cc1sc(=NN=Cc2c(Cl)cccc2Cl)[n-]c1-c1ccccc1 ZINC000059193795 571088042 /nfs/dbraw/zinc/08/80/42/571088042.db2.gz IFDPJJQHAZXLKG-KEBDBYFISA-N -1 3 362.285 5.293 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)cc(OCC)c1[O-] ZINC000059248004 571088497 /nfs/dbraw/zinc/08/84/97/571088497.db2.gz JVJLJOHGLCVRFY-KOEQRZSOSA-N -1 3 372.468 6.014 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(Br)cc2)cc(OCC)c1[O-] ZINC000059249187 571088538 /nfs/dbraw/zinc/08/85/38/571088538.db2.gz UBXJZGBFSRKUIP-UDWIEESQSA-N -1 3 360.251 5.033 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(Br)c(C)c2)cc(OCC)c1[O-] ZINC000059249344 571088543 /nfs/dbraw/zinc/08/85/43/571088543.db2.gz PYIFHWCVIFCXLR-CIAFOILYSA-N -1 3 374.278 5.341 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(N(CC)CC)cc2)cc(OCC)c1[O-] ZINC000059303417 571089963 /nfs/dbraw/zinc/08/99/63/571089963.db2.gz AAVGFQXDXSVPIH-XQNSMLJCSA-N -1 3 352.478 5.116 40 30 FKEBHM [O-]c1ccc(Cc2ccccc2)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000059417904 571090408 /nfs/dbraw/zinc/09/04/08/571090408.db2.gz HAQJFQHNXNFIOX-HYARGMPZSA-N -1 3 359.454 5.039 40 30 FKEBHM [O-]c1ccccc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459248 571089226 /nfs/dbraw/zinc/08/92/26/571089226.db2.gz ZXZAGCAVIMWERW-DHRITJCHSA-N -1 3 371.358 5.741 40 30 FKEBHM Cc1ccc(/N=C2/NC(=O)/C(=C/c3c([O-])ccc4ccccc43)S2)c(C)c1 ZINC000059459413 571089362 /nfs/dbraw/zinc/08/93/62/571089362.db2.gz NFYNOOIQFADKQP-NDENLUEZSA-N -1 3 374.465 5.054 40 30 FKEBHM Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3c([O-])ccc4ccccc43)S2)c1 ZINC000059459439 571089592 /nfs/dbraw/zinc/08/95/92/571089592.db2.gz XULFOYFQNFKAFJ-NDENLUEZSA-N -1 3 374.465 5.054 40 30 FKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc2c(c1)Cc1ccccc1-2 ZINC000059461514 571089612 /nfs/dbraw/zinc/08/96/12/571089612.db2.gz JCODJUGOEFXDQV-WSDLNYQXSA-N -1 3 364.242 5.477 40 30 FKEBHM [O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000059462026 571089584 /nfs/dbraw/zinc/08/95/84/571089584.db2.gz HMXGCTGMZHWRFY-FOKLQQMPSA-N -1 3 368.786 5.415 40 30 FKEBHM [O-]c1ccccc1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000059463575 571090054 /nfs/dbraw/zinc/09/00/54/571090054.db2.gz DMDANJWJHPGTBC-HZHRSRAPSA-N -1 3 356.450 5.933 40 30 FKEBHM CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Cl)ccc1[O-] ZINC000059475449 571091013 /nfs/dbraw/zinc/09/10/13/571091013.db2.gz VVUHSBRGBZUIGM-LSHDLFTRSA-N -1 3 357.759 5.604 40 30 FKEBHM Cc1ccc(-c2nc(/N=C/c3ccccc3[O-])sc2-c2ccccc2)cc1 ZINC000059505742 571091949 /nfs/dbraw/zinc/09/19/49/571091949.db2.gz MMFKCCQSVDLJOB-BUVRLJJBSA-N -1 3 370.477 6.242 40 30 FKEBHM CCCCCCCCCCCCS(=O)(=O)[N-]c1ccccc1OC ZINC000059608703 520014326 /nfs/dbraw/zinc/01/43/26/520014326.db2.gz DRCZZLCXXVDOPE-UHFFFAOYSA-N -1 3 355.544 5.358 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(C3CCCCC3)cc2)cc(OCC)c1[O-] ZINC000059678901 571092443 /nfs/dbraw/zinc/09/24/43/571092443.db2.gz KPVUPDPUDOWJLS-KOEQRZSOSA-N -1 3 363.501 6.318 40 30 FKEBHM C=CCc1cc(/C=N/c2ccc(-c3ccccc3)cc2)cc(OCC)c1[O-] ZINC000059679108 571092303 /nfs/dbraw/zinc/09/23/03/571092303.db2.gz YWXZKSBTTVGRFJ-KOEQRZSOSA-N -1 3 357.453 5.937 40 30 FKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc(Cl)c2cccnc12 ZINC000092117035 570448041 /nfs/dbraw/zinc/44/80/41/570448041.db2.gz HFPZHIOMOQVMTB-AWQFTUOYSA-N -1 3 361.626 5.107 40 30 FKEBHM Cc1nn(Cc2ccccc2)c(C)c1/N=C/c1c([O-])ccc2ccccc21 ZINC000095483044 570643216 /nfs/dbraw/zinc/64/32/16/570643216.db2.gz WDWKFYQWSLFREM-ZVHZXABRSA-N -1 3 355.441 5.158 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Br)cc1Cl ZINC000096006186 570472276 /nfs/dbraw/zinc/47/22/76/570472276.db2.gz WDNCHXFLINDQTP-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N/c2ccc(Br)cc2Cl)ccc2ccccc12 ZINC000096006189 209094695 /nfs/dbraw/zinc/09/46/95/209094695.db2.gz SOHCAKFFDPHBMU-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000100031173 222233609 /nfs/dbraw/zinc/23/36/09/222233609.db2.gz HJQXBVIGXUJRQP-FYJGNVAPSA-N -1 3 368.230 5.698 40 30 FKEBHM CCCCCCCCCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100070096 519983163 /nfs/dbraw/zinc/98/31/63/519983163.db2.gz ZGLNYPQAUHQFES-NRFANRHFSA-N -1 3 356.510 5.515 40 30 FKEBHM CCCCCCCCCCCC(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100070100 519983722 /nfs/dbraw/zinc/98/37/22/519983722.db2.gz ZGLNYPQAUHQFES-OAQYLSRUSA-N -1 3 356.510 5.515 40 30 FKEBHM Cc1nn(-c2ccccc2)c(/N=C/c2ccccc2[O-])c1-c1ccccc1 ZINC000100150475 222237323 /nfs/dbraw/zinc/23/73/23/222237323.db2.gz ZKGPVVHWUJZKMN-LFVJCYFKSA-N -1 3 353.425 5.304 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Br)c(Cl)c1 ZINC000100248300 222239867 /nfs/dbraw/zinc/23/98/67/222239867.db2.gz IIEZSSLNBBFQHN-KEBDBYFISA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Cl)cc1Br ZINC000100248337 209212060 /nfs/dbraw/zinc/21/20/60/209212060.db2.gz AEIJLCQMRSSRSB-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(Cl)c(Br)c1 ZINC000100248343 209212463 /nfs/dbraw/zinc/21/24/63/209212463.db2.gz ZCABAIVVKCTNNM-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N\c2ccc(Br)c(Cl)c2)ccc2ccccc12 ZINC000100248537 209211387 /nfs/dbraw/zinc/21/13/87/209211387.db2.gz WFZAUSVKPJSZIL-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N\c2ccc(Cl)cc2Br)ccc2ccccc12 ZINC000100248613 222239536 /nfs/dbraw/zinc/23/95/36/222239536.db2.gz BWIZWANOEHYZIH-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(/C=N\c2ccc(Cl)c(Br)c2)ccc2ccccc12 ZINC000100248621 222239252 /nfs/dbraw/zinc/23/92/52/222239252.db2.gz GYOMIQWMDLGDRK-JMIUGGIZSA-N -1 3 360.638 5.712 40 30 FKEBHM CCCCCCCCCCCCCCCCOC(=O)c1ccc([O-])cc1 ZINC000100318875 520000926 /nfs/dbraw/zinc/00/09/26/520000926.db2.gz SJNCMISSTSMUFF-UHFFFAOYSA-N -1 3 362.554 7.030 40 30 FKEBHM CCOc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1C(C)(C)C ZINC000100345763 570503107 /nfs/dbraw/zinc/50/31/07/570503107.db2.gz DGMPZXYPCNKBNO-ZVHZXABRSA-N -1 3 353.506 6.271 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(N2Cc3ccccc3C2)cc1 ZINC000100457066 570760788 /nfs/dbraw/zinc/76/07/88/570760788.db2.gz IAZNIRQENAJYPS-CVKSISIWSA-N -1 3 364.448 5.816 40 30 FKEBHM CCCCCCCCCCCCS(=O)(=O)[N-]c1cc(C)ccc1O ZINC000100922122 520014128 /nfs/dbraw/zinc/01/41/28/520014128.db2.gz QXZZNASAHGQLAY-UHFFFAOYSA-N -1 3 355.544 5.363 40 30 FKEBHM CCCCCCCCC/C(=N\[O-])c1cc(CCCCCC)c(O)cc1O ZINC000100925715 222258316 /nfs/dbraw/zinc/25/83/16/222258316.db2.gz QKCNLAJONFGOKX-BSYVCWPDSA-N -1 3 363.542 6.540 40 30 FKEBHM CCCCCCCCCCCCCCCCNC(=O)c1ccccc1[O-] ZINC000100925827 519998193 /nfs/dbraw/zinc/99/81/93/519998193.db2.gz VQLKICSMSHRLMF-UHFFFAOYSA-N -1 3 361.570 6.603 40 30 FKEBHM CCCCCCCC(=NOC(=O)Nc1ccccc1)c1cc(C)ccc1[O-] ZINC000100930292 519958901 /nfs/dbraw/zinc/95/89/01/519958901.db2.gz OOCMOJCRCVIYQB-HIXSDJFHSA-N -1 3 368.477 6.014 40 30 FKEBHM CCCCCCCCCCOc1ccc(/C(CCCCC)=N/[O-])c(O)c1 ZINC000100930298 520022134 /nfs/dbraw/zinc/02/21/34/520022134.db2.gz AMPIFMXOZHCRNN-XTQSDGFTSA-N -1 3 363.542 6.670 40 30 FKEBHM Cc1ccc([O-])c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 ZINC000100930791 571084642 /nfs/dbraw/zinc/08/46/42/571084642.db2.gz XYVAGIVBLOIARZ-RGVLZGJSSA-N -1 3 356.219 5.474 40 30 FKEBHM CCCCCCCCCCCC(=O)c1cc(C)cc(Br)c1[O-] ZINC000100931362 519986301 /nfs/dbraw/zinc/98/63/01/519986301.db2.gz DAZLSPYVQZTUEZ-UHFFFAOYSA-N -1 3 369.343 6.567 40 30 FKEBHM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C\c1ccccc1[O-] ZINC000100933803 209220920 /nfs/dbraw/zinc/22/09/20/209220920.db2.gz QQLHBEPCNPQWPR-FMCGGJTJSA-N -1 3 362.816 5.913 40 30 FKEBHM CCCCCCCCCCC/C(=N/[O-])c1ccc(OCCCC)cc1O ZINC000100933918 519981550 /nfs/dbraw/zinc/98/15/50/519981550.db2.gz JWGOVEJYFBEWMV-LNVKXUELSA-N -1 3 363.542 6.670 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N\c1ccc(-c2cn3ccccc3n2)cc1 ZINC000101206327 209221358 /nfs/dbraw/zinc/22/13/58/209221358.db2.gz QCNGURAQQCHBDL-MYYYXRDXSA-N -1 3 363.420 5.611 40 30 FKEBHM CCCCCCCCCCCCCCCCOc1ccc(/C=N/[O-])cc1 ZINC000102312203 570514942 /nfs/dbraw/zinc/51/49/42/570514942.db2.gz VNFNTKWCBUWOGT-DARPEHSRSA-N -1 3 361.570 7.355 40 30 FKEBHM [O-]c1ccc(Br)cc1/C=N\c1ccc2c3c(cccc31)CC2 ZINC000103727455 570852162 /nfs/dbraw/zinc/85/21/62/570852162.db2.gz JDNLNJFDBFKBCG-NHDPSOOVSA-N -1 3 352.231 5.157 40 30 FKEBHM CCOc1cc(/C=N\[O-])cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000103852260 210159667 /nfs/dbraw/zinc/15/96/67/210159667.db2.gz UCDFVJIWJUKOQD-ZBKNUEDVSA-N -1 3 374.651 5.433 40 30 FKEBHM COc1ccc(/C=C/C(=N/N=C\c2ccccc2[O-])c2ccc(F)cc2)cc1 ZINC000104103457 523383303 /nfs/dbraw/zinc/38/33/03/523383303.db2.gz GFTFCQRPCUHCEL-YUWWQOEDSA-N -1 3 374.415 5.077 40 30 FKEBHM CCCCCCCCCCCCCCCC(=O)[N-]OCc1cscn1 ZINC000104131630 519990228 /nfs/dbraw/zinc/99/02/28/519990228.db2.gz ICRBBEKSGZHYSN-UHFFFAOYSA-N -1 3 368.587 6.172 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/Sc1ccc(Br)cc1 ZINC000104191056 222352885 /nfs/dbraw/zinc/35/28/85/222352885.db2.gz VZRQUKIHINCHGV-YBFXNURJSA-N -1 3 358.260 5.434 40 30 FKEBHM CCCCCCCCCCCCCCCCN([O-])C(=O)c1c[nH]cn1 ZINC000104200146 519999566 /nfs/dbraw/zinc/99/95/66/519999566.db2.gz HOUPZIOKQPMPBW-UHFFFAOYSA-N -1 3 351.535 5.722 40 30 FKEBHM [O-]c1ccccc1/C=N\c1ccc2nc(SC3CCCC3)sc2c1 ZINC000104213462 526370191 /nfs/dbraw/zinc/37/01/91/526370191.db2.gz SXLSRNLUMQZPMQ-NDENLUEZSA-N -1 3 354.500 5.787 40 30 FKEBHM CCCCCCSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000104213468 570520804 /nfs/dbraw/zinc/52/08/04/570520804.db2.gz AIFIUKHBQFRURN-STZFKDTASA-N -1 3 370.543 6.425 40 30 FKEBHM CCCCCCCCCCCCCCCCOc1ccc(/C=N\[O-])cc1 ZINC000104216997 520001277 /nfs/dbraw/zinc/00/12/77/520001277.db2.gz VNFNTKWCBUWOGT-FLFQWRMESA-N -1 3 361.570 7.355 40 30 FKEBHM Cc1ccc([O-])c(-c2cc(-c3ccccc3)nc(/N=C/c3ccccc3)n2)c1 ZINC000104314346 206000020 /nfs/dbraw/zinc/00/00/20/206000020.db2.gz URHOGTCCBLCWCS-PCLIKHOPSA-N -1 3 365.436 5.575 40 30 FKEBHM CCCCCCCCCCCCCCCC/N=C/c1ccc(O)cc1[O-] ZINC000104364139 222355483 /nfs/dbraw/zinc/35/54/83/222355483.db2.gz TWMIGWGQJJUBSY-HIXSDJFHSA-N -1 3 361.570 6.998 40 30 FKEBHM CCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1[O-] ZINC000104373353 520009415 /nfs/dbraw/zinc/00/94/15/520009415.db2.gz SYTMCDNQPAKFJA-XLNRJJMWSA-N -1 3 363.571 5.111 40 30 FKEBHM CCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1[O-] ZINC000104373354 520009563 /nfs/dbraw/zinc/00/95/63/520009563.db2.gz SYTMCDNQPAKFJA-OQKWZONESA-N -1 3 363.571 5.111 40 30 FKEBHM CCCCCCCCCCCCCCCCCc1cc(=O)[n-]c(=S)[nH]1 ZINC000104382179 519999274 /nfs/dbraw/zinc/99/92/74/519999274.db2.gz LNRYAIAKXZGMBR-UHFFFAOYSA-N -1 3 366.615 6.885 40 30 FKEBHM Cc1cc2c(cc1/C=N/c1ccc([O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223591387 525592199 /nfs/dbraw/zinc/59/21/99/525592199.db2.gz USANHWOCKAIYSS-ZZQPOVDQSA-N -1 3 350.506 5.952 40 30 FKEBHM Cc1cc2c(cc1/C=N/c1ccc([O-])cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223591446 525591933 /nfs/dbraw/zinc/59/19/33/525591933.db2.gz USANHWOCKAIYSS-PTZPRWATSA-N -1 3 350.506 5.952 40 30 FKEBHM Cc1cc2c(cc1/C=N\c1ccccc1[O-])[C@@H](C)CC(C)(C)N2C(C)C ZINC000223616576 525591849 /nfs/dbraw/zinc/59/18/49/525591849.db2.gz GXFWNTBWOQJAFX-PDESAOGPSA-N -1 3 350.506 5.952 40 30 FKEBHM Cc1cc2c(cc1/C=N\c1ccccc1[O-])[C@H](C)CC(C)(C)N2C(C)C ZINC000223616638 525592737 /nfs/dbraw/zinc/59/27/37/525592737.db2.gz GXFWNTBWOQJAFX-SNNLMFDCSA-N -1 3 350.506 5.952 40 30 FKEBHM [O-]/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000226321964 527589388 /nfs/dbraw/zinc/58/93/88/527589388.db2.gz IOUSSTRTZPAZOC-KPSZGOFPSA-N -1 3 365.043 5.687 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000245229194 571316768 /nfs/dbraw/zinc/31/67/68/571316768.db2.gz QCNGURAQQCHBDL-UHFFFAOYSA-N -1 3 363.420 5.611 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Br)cc1Cl ZINC000254555512 571318003 /nfs/dbraw/zinc/31/80/03/571318003.db2.gz WDNCHXFLINDQTP-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1ccccc1[O-] ZINC000254555899 571318008 /nfs/dbraw/zinc/31/80/08/571318008.db2.gz QQLHBEPCNPQWPR-UHFFFAOYSA-N -1 3 362.816 5.913 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)cc1Br ZINC000260840528 571318477 /nfs/dbraw/zinc/31/84/77/571318477.db2.gz AEIJLCQMRSSRSB-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(C=Nc2ccc(Cl)cc2Br)ccc2ccccc12 ZINC000260840552 571318475 /nfs/dbraw/zinc/31/84/75/571318475.db2.gz BWIZWANOEHYZIH-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(C=Nc2ccc(Cl)c(Br)c2)ccc2ccccc12 ZINC000260840582 571318462 /nfs/dbraw/zinc/31/84/62/571318462.db2.gz GYOMIQWMDLGDRK-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Br)c(Cl)c1 ZINC000260840591 571318483 /nfs/dbraw/zinc/31/84/83/571318483.db2.gz IIEZSSLNBBFQHN-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1c(C=Nc2ccc(Br)c(Cl)c2)ccc2ccccc12 ZINC000260840660 571318447 /nfs/dbraw/zinc/31/84/47/571318447.db2.gz WFZAUSVKPJSZIL-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM [O-]c1ccc2ccccc2c1C=Nc1ccc(Cl)c(Br)c1 ZINC000260840675 571318451 /nfs/dbraw/zinc/31/84/51/571318451.db2.gz ZCABAIVVKCTNNM-UHFFFAOYSA-N -1 3 360.638 5.712 40 30 FKEBHM CCCCCCCCOc1c(Br)cc(/C=N\[O-])cc1OC ZINC000408538654 570942799 /nfs/dbraw/zinc/94/27/99/570942799.db2.gz BDNINRVCUIYNAR-PDGQHHTCSA-N -1 3 358.276 5.005 40 30 FKEBHM CCCCCCCCOc1c(Br)cc(/C=N\[O-])cc1OCC ZINC000408539619 570943786 /nfs/dbraw/zinc/94/37/86/570943786.db2.gz ITNAFZAPBYKGPF-UYRXBGFRSA-N -1 3 372.303 5.395 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1nc2c(s1)-c1ccccc1CC2 ZINC000408722426 570676079 /nfs/dbraw/zinc/67/60/79/570676079.db2.gz IUHMCQMSFYMAFB-YDZHTSKRSA-N -1 3 356.450 5.518 40 30 FKEBHM Cc1cc(/C=N/c2cccc([O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738519 570975268 /nfs/dbraw/zinc/97/52/68/570975268.db2.gz LHBVPCPQMRYVQR-CIAFOILYSA-N -1 3 369.262 5.313 40 30 FKEBHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(-c2ccccc2)cc1 ZINC000408742749 570977553 /nfs/dbraw/zinc/97/75/53/570977553.db2.gz YBWXWODYWCSCKO-OLCUMFGGSA-N -1 3 353.425 5.095 40 30 FKEBHM Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccc(-c2ccccc2)cc1 ZINC000408742752 570977652 /nfs/dbraw/zinc/97/76/52/570977652.db2.gz YBWXWODYWCSCKO-ZHNJOBQTSA-N -1 3 353.425 5.095 40 30 FKEBHM C=CCc1cc(/C=N/c2cccc(Br)c2)cc(OCC)c1[O-] ZINC000408849260 571020080 /nfs/dbraw/zinc/02/00/80/571020080.db2.gz VTEZVQFLVRNZCN-UDWIEESQSA-N -1 3 360.251 5.033 40 30 FKEBHM CCCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408910330 570698480 /nfs/dbraw/zinc/69/84/80/570698480.db2.gz KADVZHHYYXAELP-CUNGHOPLSA-N -1 3 372.877 5.060 40 30 FKEBHM CC(C)N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408911288 570698467 /nfs/dbraw/zinc/69/84/67/570698467.db2.gz MRYCMRGBJUWVLK-SMSCYPBYSA-N -1 3 372.877 5.058 40 30 FKEBHM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000408935310 570701119 /nfs/dbraw/zinc/70/11/19/570701119.db2.gz CRQSIRVSFCNIFS-QOGPNBCKSA-N -1 3 366.464 5.969 40 30 FKEBHM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000408935311 570701183 /nfs/dbraw/zinc/70/11/83/570701183.db2.gz CRQSIRVSFCNIFS-SASJVVMLSA-N -1 3 366.464 5.969 40 30 FKEBHM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935312 571056635 /nfs/dbraw/zinc/05/66/35/571056635.db2.gz CRQSIRVSFCNIFS-WGCMYMJESA-N -1 3 366.464 5.969 40 30 FKEBHM [O-]c1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408935313 571056612 /nfs/dbraw/zinc/05/66/12/571056612.db2.gz CRQSIRVSFCNIFS-XQUDSNIVSA-N -1 3 366.464 5.969 40 30 FKEBHM [O-]c1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000408976934 571089654 /nfs/dbraw/zinc/08/96/54/571089654.db2.gz HCPLYMJDKSAFPI-OEAKJJBVSA-N -1 3 362.498 6.314 40 30 FKEBHM [O-]c1ccccc1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408979474 570707283 /nfs/dbraw/zinc/70/72/83/570707283.db2.gz QWSUIODHALQXFR-OEAKJJBVSA-N -1 3 362.498 6.314 40 30 FKEBHM C=CCc1cc(/C=N/[O-])cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409071828 570719491 /nfs/dbraw/zinc/71/94/91/570719491.db2.gz SIQMXJAAXKUHEH-UFFVCSGVSA-N -1 3 366.244 5.118 40 30 FKEBHM C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1cccc2ccccc21 ZINC000409074290 570719717 /nfs/dbraw/zinc/71/97/17/570719717.db2.gz YYWCZGYJQFGPPX-BUVRLJJBSA-N -1 3 361.441 5.354 40 30 FKEBHM N#Cc1ccccc1/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1[O-] ZINC000409079563 571133016 /nfs/dbraw/zinc/13/30/16/571133016.db2.gz KYZYOTZBYDLPKW-CVKSISIWSA-N -1 3 356.469 5.482 40 30 FKEBHM CC(=O)c1ccc(N=Cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2[O-])cc1 ZINC000409082926 571133330 /nfs/dbraw/zinc/13/33/30/571133330.db2.gz RKYKYVVUKJXIGN-CVKSISIWSA-N -1 3 373.496 5.813 40 30 FKEBHM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1[O-] ZINC000409087492 571133584 /nfs/dbraw/zinc/13/35/84/571133584.db2.gz CSWBOUVKDBWUHI-CHOFVFFHSA-N -1 3 368.502 5.236 40 30 FKEBHM COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1[O-] ZINC000409087495 571133619 /nfs/dbraw/zinc/13/36/19/571133619.db2.gz CSWBOUVKDBWUHI-XMTZNVEYSA-N -1 3 368.502 5.236 40 30 FKEBHM N#Cc1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2[O-])cc1 ZINC000409090545 571133703 /nfs/dbraw/zinc/13/37/03/571133703.db2.gz NUAVSUBDUFASCP-CVKSISIWSA-N -1 3 356.469 5.482 40 30 FKEBHM COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[O-] ZINC000409093303 263525566 /nfs/dbraw/zinc/52/55/66/263525566.db2.gz ZWTYWUHVSNVSQJ-CHOFVFFHSA-N -1 3 368.502 5.236 40 30 FKEBHM COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[O-] ZINC000409093304 263525270 /nfs/dbraw/zinc/52/52/70/263525270.db2.gz ZWTYWUHVSNVSQJ-XMTZNVEYSA-N -1 3 368.502 5.236 40 30 FKEBHM COc1ccccc1Oc1ccc(/N=C/c2ccc3ccccc3c2[O-])cc1 ZINC000409095741 570723060 /nfs/dbraw/zinc/72/30/60/570723060.db2.gz IPAPHHNLADHXEX-PCLIKHOPSA-N -1 3 369.420 6.097 40 30 FKEBHM COc1ccccc1Oc1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1 ZINC000409096604 571133925 /nfs/dbraw/zinc/13/39/25/571133925.db2.gz DRLGWYHVHBBUJN-PCLIKHOPSA-N -1 3 369.420 6.097 40 30 FKEBHM COc1cccc(Oc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2)c1 ZINC000409098783 571134210 /nfs/dbraw/zinc/13/42/10/571134210.db2.gz PJHGGQAMDONOCX-PCLIKHOPSA-N -1 3 369.420 6.097 40 30 FKEBHM [O-]c1c(/C=N/c2ccc(Oc3ccccc3Cl)cc2)ccc2ccccc12 ZINC000409100895 571134285 /nfs/dbraw/zinc/13/42/85/571134285.db2.gz VVHVVFZTRHBUJE-MFKUBSTISA-N -1 3 373.839 6.742 40 30 FKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2Cl)cc1 ZINC000409105147 571134581 /nfs/dbraw/zinc/13/45/81/571134581.db2.gz GRVAYGCCISGJPY-MFKUBSTISA-N -1 3 373.839 6.742 40 30 FKEBHM COc1ccc(Oc2ccc(/N=C/c3ccc4ccccc4c3[O-])cc2)cc1 ZINC000409107903 263527067 /nfs/dbraw/zinc/52/70/67/263527067.db2.gz XWYKSXHGLKTSGI-PCLIKHOPSA-N -1 3 369.420 6.097 40 30 FKEBHM O=[N+]([O-])c1ccc(Sc2ccccc2)c(/C=N\c2ccc([O-])cc2)c1 ZINC000409109458 571134874 /nfs/dbraw/zinc/13/48/74/571134874.db2.gz FGVMQPFAECYXEF-MOSHPQCFSA-N -1 3 350.399 5.202 40 30 FKEBHM Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2ccc([O-])cc2)cc1 ZINC000409111987 571135294 /nfs/dbraw/zinc/13/52/94/571135294.db2.gz AFVLFFSBHJIKQE-BKUYFWCQSA-N -1 3 364.426 5.511 40 30 FKEBHM O=[N+]([O-])c1cc(/C=N\c2ccc([O-])cc2)ccc1Sc1ccccc1 ZINC000409116457 571136712 /nfs/dbraw/zinc/13/67/12/571136712.db2.gz VCRSZYDAPKWQMB-MOSHPQCFSA-N -1 3 350.399 5.202 40 30 FKEBHM Cc1ccc(Sc2ccc(/C=N\c3ccc([O-])cc3)cc2[N+](=O)[O-])cc1 ZINC000409117672 263528325 /nfs/dbraw/zinc/52/83/25/263528325.db2.gz PWBTXMBSAPINDQ-BKUYFWCQSA-N -1 3 364.426 5.511 40 30 FKEBHM COc1ccc(Oc2ccc(/N=C/c3c([O-])ccc4ccccc43)cc2)cc1 ZINC000409119665 570728061 /nfs/dbraw/zinc/72/80/61/570728061.db2.gz SNZURMOGWRHEHE-PCLIKHOPSA-N -1 3 369.420 6.097 40 30 FKEBHM Cc1ccc(-c2ccc(/C=N/c3ccc([O-])cc3)o2)c(Br)c1 ZINC000409232626 570744491 /nfs/dbraw/zinc/74/44/91/570744491.db2.gz RVBYXPZUKDNTFO-RGVLZGJSSA-N -1 3 356.219 5.474 40 30 FKEBHM Cc1ccc(-c2ccc(/C=N\c3ccccc3[O-])o2)c(Br)c1 ZINC000409238100 570743103 /nfs/dbraw/zinc/74/31/03/570743103.db2.gz ZAQWYTJAVNGCJF-JAIQZWGSSA-N -1 3 356.219 5.474 40 30 FKEBHM Cc1ccc(-c2ccc(/C=N\c3cccc([O-])c3)o2)c(Br)c1 ZINC000409241729 570745761 /nfs/dbraw/zinc/74/57/61/570745761.db2.gz UHOZPGCKHBZILV-JAIQZWGSSA-N -1 3 356.219 5.474 40 30 FKEBHM COc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)ccc1[O-] ZINC000409382232 263553880 /nfs/dbraw/zinc/55/38/80/263553880.db2.gz ZJHGAOXLIZYSLE-FSJBWODESA-N -1 3 374.352 5.136 40 30 FKEBHM