smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1Nc2ccccc2Oc2ccc(/N=C/c3cc(Br)ccc3[O-])cc21 ZINC000000793499 559279712 /nfs/dbraw/zinc/27/97/12/559279712.db2.gz MXLOBXOIDXVGHB-SSDVNMTOSA-N -1 3 409.239 5.263 40 30 HKEBHM COc1cc(-c2nc3ccccn3c2/N=C/c2c(Cl)cccc2Cl)ccc1[O-] ZINC000000793501 559279695 /nfs/dbraw/zinc/27/96/95/559279695.db2.gz FHPNUWGCXATXKF-WYMPLXKRSA-N -1 3 412.276 5.773 40 30 HKEBHM CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1c([O-])cccc1Cl ZINC000000794664 559279796 /nfs/dbraw/zinc/27/97/96/559279796.db2.gz ZOUQKTHFJWCFIT-UHFFFAOYSA-N -1 3 400.902 5.446 40 30 HKEBHM Cc1nn(-c2ccccc2)c2sc(C(=O)[N-]c3sc4c(c3C#N)CCCC4)cc12 ZINC000000796317 568478435 /nfs/dbraw/zinc/47/84/35/568478435.db2.gz AKGCTRWGBXOWDL-UHFFFAOYSA-N -1 3 418.547 5.460 40 30 HKEBHM COc1cc(Cl)cc(/C=N/c2cc(-c3nc4c(cccc4C)o3)ccc2C)c1[O-] ZINC000000802227 559280261 /nfs/dbraw/zinc/28/02/61/559280261.db2.gz DXKMXQYTCJXFIL-BRJLIKDPSA-N -1 3 406.869 6.230 40 30 HKEBHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)sc2c1CCC2 ZINC000000815151 568490078 /nfs/dbraw/zinc/49/00/78/568490078.db2.gz YPNKKZNKMMCAJG-UHFFFAOYSA-N -1 3 404.278 5.323 40 30 HKEBHM [O-]c1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c(O)c1 ZINC000000821765 559281289 /nfs/dbraw/zinc/28/12/89/559281289.db2.gz VWQWDXMOCBSVOC-SSDVNMTOSA-N -1 3 409.239 5.419 40 30 HKEBHM [O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1 ZINC000000821765 559281292 /nfs/dbraw/zinc/28/12/92/559281292.db2.gz VWQWDXMOCBSVOC-SSDVNMTOSA-N -1 3 409.239 5.419 40 30 HKEBHM O=C1CCCC2=C1[C@@H](c1cc(Br)ccc1[O-])Nc1ccc3ccccc3c12 ZINC000000828703 559281769 /nfs/dbraw/zinc/28/17/69/559281769.db2.gz NAIRIVSADZDCEB-HSZRJFAPSA-N -1 3 420.306 5.981 40 30 HKEBHM O=C1CCCC2=C1[C@H](c1cc(Br)ccc1[O-])Nc1ccc3ccccc3c12 ZINC000000828704 559281767 /nfs/dbraw/zinc/28/17/67/559281767.db2.gz NAIRIVSADZDCEB-QHCPKHFHSA-N -1 3 420.306 5.981 40 30 HKEBHM Cc1cc(/C=N/c2ccc([O-])cc2)c(C)n1-c1ccc(I)cc1 ZINC000000829449 560725922 /nfs/dbraw/zinc/72/59/22/560725922.db2.gz PPEGNXRARICXME-CIAFOILYSA-N -1 3 416.262 5.155 40 30 HKEBHM COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1[O-] ZINC000000859610 559290431 /nfs/dbraw/zinc/29/04/31/559290431.db2.gz JDSOEKBUDOMPPG-FSJBWODESA-N -1 3 423.266 5.722 40 30 HKEBHM COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1c([O-])cc(C)c(Cl)c1C ZINC000000864865 559292238 /nfs/dbraw/zinc/29/22/38/559292238.db2.gz SEPSULQSQRHKNA-BRJLIKDPSA-N -1 3 406.869 6.230 40 30 HKEBHM COc1ccc(-c2nc3cc(/N=C/c4ccccc4[O-])ccc3o2)cc1Br ZINC000000865551 559292548 /nfs/dbraw/zinc/29/25/48/559292548.db2.gz MMRXPADXJOMOBJ-FSJBWODESA-N -1 3 423.266 5.722 40 30 HKEBHM CCOC(=O)c1c(/N=C/c2cc(Br)ccc2[O-])sc2c1CC[C@H](C)C2 ZINC000000873336 560536573 /nfs/dbraw/zinc/53/65/73/560536573.db2.gz CSIIRWICTOESQE-JYQBEENSSA-N -1 3 422.344 5.268 40 30 HKEBHM CCOC(=O)c1c(/N=C/c2cc(Br)ccc2[O-])sc2c1CC[C@@H](C)C2 ZINC000000873338 560536559 /nfs/dbraw/zinc/53/65/59/560536559.db2.gz CSIIRWICTOESQE-OHBSIKEHSA-N -1 3 422.344 5.268 40 30 HKEBHM Cc1cc([O-])c(/C=N/c2cccc(NC(=O)c3ccccc3Cl)c2)c(C)c1Cl ZINC000000903972 560544871 /nfs/dbraw/zinc/54/48/71/560544871.db2.gz URZHWYKZMUJQST-BRJLIKDPSA-N -1 3 413.304 6.319 40 30 HKEBHM O=C(CCc1cn(Cc2ccccc2)c2ccccc12)Nc1nnc(C(F)(F)F)[n-]1 ZINC000001074163 560555751 /nfs/dbraw/zinc/55/57/51/560555751.db2.gz SSRBMFHIEGZLHP-UHFFFAOYSA-N -1 3 413.403 5.047 40 30 HKEBHM O=C(CCc1cn(Cc2ccccc2)c2ccccc12)Nc1nc(C(F)(F)F)n[n-]1 ZINC000001074163 560555752 /nfs/dbraw/zinc/55/57/52/560555752.db2.gz SSRBMFHIEGZLHP-UHFFFAOYSA-N -1 3 413.403 5.047 40 30 HKEBHM Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Br)ccc1[O-] ZINC000001199791 557238550 /nfs/dbraw/zinc/23/85/50/557238550.db2.gz KSEWHFPWOJRNNP-KEBDBYFISA-N -1 3 402.317 5.396 40 30 HKEBHM CC(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccccc2)cc1 ZINC000001438366 557263269 /nfs/dbraw/zinc/26/32/69/557263269.db2.gz ANMJUTJWIVOYLS-NRFANRHFSA-N -1 3 403.503 5.654 40 30 HKEBHM CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000001438366 557263274 /nfs/dbraw/zinc/26/32/74/557263274.db2.gz ANMJUTJWIVOYLS-NRFANRHFSA-N -1 3 403.503 5.654 40 30 HKEBHM CC(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2ccccc2)cc1 ZINC000001438367 557263352 /nfs/dbraw/zinc/26/33/52/557263352.db2.gz ANMJUTJWIVOYLS-OAQYLSRUSA-N -1 3 403.503 5.654 40 30 HKEBHM CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccccc2)cc1 ZINC000001438367 557263354 /nfs/dbraw/zinc/26/33/54/557263354.db2.gz ANMJUTJWIVOYLS-OAQYLSRUSA-N -1 3 403.503 5.654 40 30 HKEBHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1 ZINC000001440187 557263534 /nfs/dbraw/zinc/26/35/34/557263534.db2.gz BHTBXWLCMFOIHB-NRFANRHFSA-N -1 3 419.864 5.137 40 30 HKEBHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1 ZINC000001440188 557263569 /nfs/dbraw/zinc/26/35/69/557263569.db2.gz BHTBXWLCMFOIHB-OAQYLSRUSA-N -1 3 419.864 5.137 40 30 HKEBHM [O-]c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c(O)c1 ZINC000001509414 557270707 /nfs/dbraw/zinc/27/07/07/557270707.db2.gz TYZUSTDNOMAGIK-SSDVNMTOSA-N -1 3 409.239 5.419 40 30 HKEBHM [O-]c1cc(O)ccc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000001509414 557270712 /nfs/dbraw/zinc/27/07/12/557270712.db2.gz TYZUSTDNOMAGIK-SSDVNMTOSA-N -1 3 409.239 5.419 40 30 HKEBHM CCCCCCCCCSc1nc2ccc(/N=C/c3ccccc3[O-])cc2s1 ZINC000001573739 557273104 /nfs/dbraw/zinc/27/31/04/557273104.db2.gz STSVSXDVCDJSTJ-JJIBRWJFSA-N -1 3 412.624 7.595 40 30 HKEBHM C=C(Cl)Cc1cc(/C(CC)=C(\CC)c2ccc(O)c(CC(=C)Cl)c2)ccc1[O-] ZINC000001688994 569006784 /nfs/dbraw/zinc/00/67/84/569006784.db2.gz QHBIVKRRLCRTLB-QURGRASLSA-N -1 3 417.376 7.419 40 30 HKEBHM C=C(C)[C@@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000002008848 291281412 /nfs/dbraw/zinc/28/14/12/291281412.db2.gz XRYVAQQLDYTHCL-WNSKOXEYSA-N -1 3 424.493 5.307 40 30 biogenic,in-vivo HKEBHM C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1O)CC2=O ZINC000002008850 291281757 /nfs/dbraw/zinc/28/17/57/291281757.db2.gz XRYVAQQLDYTHCL-CMJOXMDJSA-N -1 3 424.493 5.307 40 30 biogenic,in-vivo HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(-c2nc3c(ccc4ccccc34)o2)cc1 ZINC000002067823 560584188 /nfs/dbraw/zinc/58/41/88/560584188.db2.gz WYHOMBZHACGDFY-STBIYBPSSA-N -1 3 414.464 7.257 40 30 HKEBHM [O-]c1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000002304557 560559553 /nfs/dbraw/zinc/55/95/53/560559553.db2.gz FIFCMKLROGAORN-YVNNLAQVSA-N -1 3 415.305 5.282 40 30 HKEBHM CCc1c(C)sc([N-]C(=O)c2cc(-c3ccc(Br)cc3)on2)c1C#N ZINC000002465544 568883115 /nfs/dbraw/zinc/88/31/15/568883115.db2.gz XZSUKTQQWRGRNO-UHFFFAOYSA-N -1 3 416.300 5.160 40 30 HKEBHM N#Cc1ccc(-c2c(=O)oc3c(Cl)cc(Cl)cc3c2-c2ccc([O-])cc2)cc1 ZINC000002573865 568784525 /nfs/dbraw/zinc/78/45/25/568784525.db2.gz LKOBEHSKMUMIEE-UHFFFAOYSA-N -1 3 408.240 6.011 40 30 HKEBHM O=C(Oc1cccc(/C=N/c2ccc([O-])cc2)c1)c1sc2ccccc2c1Cl ZINC000002901293 560732726 /nfs/dbraw/zinc/73/27/26/560732726.db2.gz QWLYERUZXXJUDV-ZMOGYAJESA-N -1 3 407.878 6.230 40 30 HKEBHM COc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1[O-] ZINC000003032285 568844962 /nfs/dbraw/zinc/84/49/62/568844962.db2.gz MINBZYGPJGBNIO-BRJLIKDPSA-N -1 3 406.869 6.230 40 30 HKEBHM Cc1cc(C)cc(-c2nc3cc(/N=C/c4c([O-])cc(C)c(Cl)c4C)ccc3o2)c1 ZINC000003033620 568845331 /nfs/dbraw/zinc/84/53/31/568845331.db2.gz BFDZIPBQKZOVMG-RPPGKUMJSA-N -1 3 404.897 6.838 40 30 HKEBHM Cc1ccc2oc(-c3ccc(C)c(/N=C/c4c([O-])cc(C)c(Cl)c4C)c3)nc2c1 ZINC000003033992 568845339 /nfs/dbraw/zinc/84/53/39/568845339.db2.gz NHKJAMKHSOJEFT-RPPGKUMJSA-N -1 3 404.897 6.838 40 30 HKEBHM Cc1cc2nc(-c3cccc(/N=C/c4c([O-])ccc5ccccc54)c3C)oc2c(C)c1 ZINC000003043497 568848209 /nfs/dbraw/zinc/84/82/09/568848209.db2.gz BGQNWBLJNQZIIX-RWPZCVJISA-N -1 3 406.485 7.029 40 30 HKEBHM Cc1cccc2oc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4[O-])c3)nc21 ZINC000003043819 568848367 /nfs/dbraw/zinc/84/83/67/568848367.db2.gz MHYLCVCNNTYBJX-WYMPLXKRSA-N -1 3 421.294 6.330 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 ZINC000003049948 568850039 /nfs/dbraw/zinc/85/00/39/568850039.db2.gz DSILGXVSHYTWDQ-YSURURNPSA-N -1 3 417.679 6.911 40 30 HKEBHM Cc1ccc2nc(-c3ccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)cc3)sc2c1 ZINC000003066562 568853382 /nfs/dbraw/zinc/85/33/82/568853382.db2.gz LULMWTZQCHPPLA-BRJLIKDPSA-N -1 3 406.938 6.998 40 30 HKEBHM COc1cccc(-c2nc3cc(/N=C/c4cc(Br)ccc4[O-])ccc3o2)c1 ZINC000003066609 568853399 /nfs/dbraw/zinc/85/33/99/568853399.db2.gz ZCRXSBLIRYWLLV-FSJBWODESA-N -1 3 423.266 5.722 40 30 HKEBHM Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c([O-])cc(C)c(Cl)c4C)c3)oc2c1 ZINC000003068519 568853421 /nfs/dbraw/zinc/85/34/21/568853421.db2.gz XWJNZIZJBNCWJR-RPPGKUMJSA-N -1 3 404.897 6.838 40 30 HKEBHM Cc1ccc2sc(-c3ccc(/N=C/c4c([O-])cc(C)c(Cl)c4C)cc3)nc2c1 ZINC000003084964 568854481 /nfs/dbraw/zinc/85/44/81/568854481.db2.gz JEJSHCSUIQYKOG-BRJLIKDPSA-N -1 3 406.938 6.998 40 30 HKEBHM O=C(Oc1ccccc1/C=N/c1ccc([O-])cc1)c1sc2ccccc2c1Cl ZINC000003095194 568854959 /nfs/dbraw/zinc/85/49/59/568854959.db2.gz OQHBVMRXIKEAAT-ZMOGYAJESA-N -1 3 407.878 6.230 40 30 HKEBHM COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1[O-] ZINC000003098648 568855189 /nfs/dbraw/zinc/85/51/89/568855189.db2.gz HZRQNJIUCJHWOQ-FSJBWODESA-N -1 3 423.266 5.722 40 30 HKEBHM O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4[O-])nc3c2)cc1 ZINC000003116415 568856581 /nfs/dbraw/zinc/85/65/81/568856581.db2.gz SSUVNPUTWWLXFU-AFUMVMLFSA-N -1 3 409.401 6.012 40 30 HKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccccc1OCC(F)(F)C(F)F ZINC000003127103 560635093 /nfs/dbraw/zinc/63/50/93/560635093.db2.gz OQEQJXXQQMWREQ-GZIVZEMBSA-N -1 3 406.173 5.185 40 30 HKEBHM O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000003140478 568858226 /nfs/dbraw/zinc/85/82/26/568858226.db2.gz VOXYELDVSIPRQC-ZMOGYAJESA-N -1 3 420.262 5.679 40 30 HKEBHM COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1[O-] ZINC000003150192 560733344 /nfs/dbraw/zinc/73/33/44/560733344.db2.gz MYMYYOYJYQTWPS-BRJLIKDPSA-N -1 3 406.869 6.230 40 30 HKEBHM CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)ccc4[O-])ccc3o2)cc1 ZINC000003162681 568858790 /nfs/dbraw/zinc/85/87/90/568858790.db2.gz AQRNQIVNCYKENC-VULFUBBASA-N -1 3 404.897 6.902 40 30 HKEBHM O=c1oc2ccccc2cc1-c1cccc(/N=C/c2cc(Br)ccc2[O-])c1 ZINC000003206050 568846199 /nfs/dbraw/zinc/84/61/99/568846199.db2.gz IZGIRPZJRLVRPH-ZMOGYAJESA-N -1 3 420.262 5.679 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(F)cc3F)nc2c1 ZINC000003206058 568861669 /nfs/dbraw/zinc/86/16/69/568861669.db2.gz MESJJQYSIQRFHP-UVHMKAGCSA-N -1 3 400.384 6.382 40 30 HKEBHM Cc1cc([O-])c(/C=N/c2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1Cl ZINC000003211776 568862215 /nfs/dbraw/zinc/86/22/15/568862215.db2.gz MKVDYQVZTZXWJB-LGJNPRDNSA-N -1 3 403.865 6.186 40 30 HKEBHM COc1cccc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4[O-])nc3c2)c1O ZINC000004460250 557556220 /nfs/dbraw/zinc/55/62/20/557556220.db2.gz SKWCINCNIWIHCJ-VULFUBBASA-N -1 3 410.429 5.818 40 30 HKEBHM Cc1ccc(-c2nc(/N=C/c3ccccc3[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004691456 557581800 /nfs/dbraw/zinc/58/18/00/557581800.db2.gz AWYBZJYYXXSMTD-ZVHZXABRSA-N -1 3 415.474 6.150 40 30 HKEBHM [O-]c1ccccc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000004737269 569323213 /nfs/dbraw/zinc/32/32/13/569323213.db2.gz KANRPJPZWOKNOC-QQFRMPOQSA-N -1 3 407.557 6.932 40 30 HKEBHM COc1cccc2cc(/C(C)=N/[N-]c3nc(-c4cc(C)ccc4C)cs3)c(=O)oc21 ZINC000004957167 560617272 /nfs/dbraw/zinc/61/72/72/560617272.db2.gz MEQGXJPJYRWPMQ-MFKUBSTISA-N -1 3 419.506 5.378 40 30 HKEBHM COc1cccc2cc(/C(C)=N/[N-]c3nc(-c4ccc(C)cc4C)cs3)c(=O)oc21 ZINC000004957180 560617277 /nfs/dbraw/zinc/61/72/77/560617277.db2.gz FPZPWOKQFNHEEK-MFKUBSTISA-N -1 3 419.506 5.378 40 30 HKEBHM COc1ccc2oc(=O)c(C(C)=N[N-]c3nc(-c4cc(C)ccc4C)cs3)cc2c1 ZINC000005008132 560620798 /nfs/dbraw/zinc/62/07/98/560620798.db2.gz BMMBDIRVQYTYKG-MFKUBSTISA-N -1 3 419.506 5.378 40 30 HKEBHM COc1ccc(C(NNc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000005065299 557633591 /nfs/dbraw/zinc/63/35/91/557633591.db2.gz KNOFAXSPFPCKBS-FLXRKUMRSA-N -1 3 420.353 5.003 40 30 HKEBHM COc1ccc(C(NNc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000005065301 557633541 /nfs/dbraw/zinc/63/35/41/557633541.db2.gz KNOFAXSPFPCKBS-PBIBQNEFSA-N -1 3 420.353 5.003 40 30 HKEBHM C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([O-])cc1 ZINC000005283134 557643472 /nfs/dbraw/zinc/64/34/72/557643472.db2.gz BFHSBMZEEXGMIB-VXLYETTFSA-N -1 3 411.093 5.233 40 30 HKEBHM CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([O-])cc1C ZINC000005335966 557645445 /nfs/dbraw/zinc/64/54/45/557645445.db2.gz DXPCKEBUYVVIJV-DJKKODMXSA-N -1 3 413.109 5.375 40 30 HKEBHM Cc1cc(Br)cc(/C=N\c2cccc(-c3nc4ncccc4o3)c2)c1[O-] ZINC000005336851 557645566 /nfs/dbraw/zinc/64/55/66/557645566.db2.gz ZWUMJTYXLXOODA-KSEXSDGBSA-N -1 3 408.255 5.417 40 30 HKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000005383712 560577449 /nfs/dbraw/zinc/57/74/49/560577449.db2.gz HQGZRMDHWMCJOE-LLVKDONJSA-N -1 3 417.918 5.585 40 30 HKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000005383715 560577390 /nfs/dbraw/zinc/57/73/90/560577390.db2.gz RWIIHVRVEALRPZ-LLVKDONJSA-N -1 3 417.918 5.585 40 30 HKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2C1 ZINC000005383758 560737483 /nfs/dbraw/zinc/73/74/83/560737483.db2.gz HQGZRMDHWMCJOE-NSHDSACASA-N -1 3 417.918 5.585 40 30 HKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C1 ZINC000005383761 560577437 /nfs/dbraw/zinc/57/74/37/560577437.db2.gz RWIIHVRVEALRPZ-NSHDSACASA-N -1 3 417.918 5.585 40 30 HKEBHM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)ccc1[O-] ZINC000005482202 557656573 /nfs/dbraw/zinc/65/65/73/557656573.db2.gz NIFRTLNJYXMLOL-DEOSSOPVSA-N -1 3 403.909 6.508 40 30 HKEBHM CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)ccc1[O-] ZINC000005482206 557656541 /nfs/dbraw/zinc/65/65/41/557656541.db2.gz NIFRTLNJYXMLOL-XMMPIXPASA-N -1 3 403.909 6.508 40 30 HKEBHM COc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1[O-] ZINC000005512350 569361703 /nfs/dbraw/zinc/36/17/03/569361703.db2.gz POGALQHIBGYAMI-WYMPLXKRSA-N -1 3 415.276 5.711 40 30 HKEBHM O=C(Nc1cc(Cl)c(/N=C/c2ccc([O-])cc2O)cc1Cl)c1ccccc1 ZINC000005515611 557659175 /nfs/dbraw/zinc/65/91/75/557659175.db2.gz DHVUKWNQPBILPH-FOKLQQMPSA-N -1 3 401.249 5.408 40 30 HKEBHM O=C(Nc1cc(Cl)c(/N=C/c2ccc(O)cc2[O-])cc1Cl)c1ccccc1 ZINC000005515611 557659179 /nfs/dbraw/zinc/65/91/79/557659179.db2.gz DHVUKWNQPBILPH-FOKLQQMPSA-N -1 3 401.249 5.408 40 30 HKEBHM Cc1cc(/N=C/c2cc(Br)ccc2[O-])ccc1NC(=O)c1ccccc1 ZINC000005540842 557660207 /nfs/dbraw/zinc/66/02/07/557660207.db2.gz JTEAVKFIYOKAON-YDZHTSKRSA-N -1 3 409.283 5.466 40 30 HKEBHM Cc1cc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])ccc1NC(=O)c1ccccc1 ZINC000005540847 557660310 /nfs/dbraw/zinc/66/03/10/557660310.db2.gz FFZPTWBXFDCMJY-VUTHCHCSSA-N -1 3 420.512 6.294 40 30 HKEBHM Cc1oc2ccc([O-])cc2c1C(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000005546269 557660457 /nfs/dbraw/zinc/66/04/57/557660457.db2.gz OJTJBUHRDXWTNH-SOFGYWHQSA-N -1 3 413.256 6.910 40 30 HKEBHM CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3c(C)oc4ccc([O-])cc43)o2)cc1 ZINC000005546270 557660523 /nfs/dbraw/zinc/66/05/23/557660523.db2.gz UABPIGZSZWVORD-PKNBQFBNSA-N -1 3 416.429 5.780 40 30 HKEBHM Cc1nc([N-]c2ccc([N+](=O)[O-])cc2)sc1C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC000005552238 557661239 /nfs/dbraw/zinc/66/12/39/557661239.db2.gz LRJMLKFKRPSWMW-AWNIVKPZSA-N -1 3 408.483 5.065 40 30 HKEBHM [O-]c1c(Cc2ccc(Cl)cc2)cc(C2CCCCC2)cc1/N=C/c1cccnc1 ZINC000005580079 557663178 /nfs/dbraw/zinc/66/31/78/557663178.db2.gz VNINJOSBIZDJSU-OGLMXYFKSA-N -1 3 404.941 6.830 40 30 HKEBHM O=C(Nc1cccc2ccccc21)O/N=C(/Cc1ccccc1)c1ccc(O)cc1[O-] ZINC000005602516 557664774 /nfs/dbraw/zinc/66/47/74/557664774.db2.gz IUCQQPPSXQTSDN-VYIQYICTSA-N -1 3 412.445 5.447 40 30 HKEBHM [O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc2oc(-c3cccnc3)nc2c1 ZINC000005603728 557664780 /nfs/dbraw/zinc/66/47/80/557664780.db2.gz PZTBUAMRJVFTGV-OGLMXYFKSA-N -1 3 405.457 5.937 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000005604458 557664980 /nfs/dbraw/zinc/66/49/80/557664980.db2.gz YWFQQQDCCGFDCY-WPWMEQJKSA-N -1 3 406.510 7.087 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000005669714 557667694 /nfs/dbraw/zinc/66/76/94/557667694.db2.gz RLVLDGOPPVRHNF-STBIYBPSSA-N -1 3 414.464 7.257 40 30 HKEBHM Cc1nc([N-]c2ccc([N+](=O)[O-])cc2)sc1C(=O)/C=C\c1ccc(N(C)C)cc1 ZINC000005732349 557671588 /nfs/dbraw/zinc/67/15/88/557671588.db2.gz LRJMLKFKRPSWMW-MLPAPPSSSA-N -1 3 408.483 5.065 40 30 HKEBHM CC(C)C(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])c1 ZINC000005841468 557677123 /nfs/dbraw/zinc/67/71/23/557677123.db2.gz QYZQUGDFAMIJMP-CVKSISIWSA-N -1 3 406.913 5.982 40 30 HKEBHM Cc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1[O-] ZINC000005960449 557682806 /nfs/dbraw/zinc/68/28/06/557682806.db2.gz CERVORTUQJOPIR-LGJNPRDNSA-N -1 3 418.880 6.412 40 30 HKEBHM COc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000006170068 557692661 /nfs/dbraw/zinc/69/26/61/557692661.db2.gz YHIWOJZZNKBPBS-FBCYGCLPSA-N -1 3 405.075 5.152 40 30 HKEBHM COc1cc(Cl)cc(/C=N/c2cccc(-c3nc4ccccc4s3)c2C)c1[O-] ZINC000006200577 557693760 /nfs/dbraw/zinc/69/37/60/557693760.db2.gz INWVHUMRBXTWPT-WYMPLXKRSA-N -1 3 408.910 6.390 40 30 HKEBHM CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(C)c2[O-])c1 ZINC000006263820 560740660 /nfs/dbraw/zinc/74/06/60/560740660.db2.gz QLPNBMHGHUTYRG-UFFVCSGVSA-N -1 3 409.711 5.606 40 30 HKEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(OC)c2[O-])c1 ZINC000006396809 569361862 /nfs/dbraw/zinc/36/18/62/569361862.db2.gz ZNCZEPZSCROSJG-CIAFOILYSA-N -1 3 405.292 5.043 40 30 HKEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Br)cc(OCC)c2[O-])c1 ZINC000006396815 569361930 /nfs/dbraw/zinc/36/19/30/569361930.db2.gz QXVMOQMXEYFNMN-LPYMAVHISA-N -1 3 419.319 5.433 40 30 HKEBHM CCCCC(=O)Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])c1 ZINC000006396833 569361836 /nfs/dbraw/zinc/36/18/36/569361836.db2.gz OVOFGTVTVVAHKF-WPWMEQJKSA-N -1 3 420.940 6.516 40 30 HKEBHM CCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1Cl ZINC000006397665 557701384 /nfs/dbraw/zinc/70/13/84/557701384.db2.gz CVMBAFXRRNOLLY-UFFVCSGVSA-N -1 3 409.711 5.606 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1[O-] ZINC000006439484 569361899 /nfs/dbraw/zinc/36/18/99/569361899.db2.gz IPZZULVEXFHXIH-LGJNPRDNSA-N -1 3 420.896 6.620 40 30 HKEBHM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(C)c4[O-])cc3)nc2c1 ZINC000006440192 560742259 /nfs/dbraw/zinc/74/22/59/560742259.db2.gz OKPTZCQVRDETFD-PJAVDKHJSA-N -1 3 418.924 7.426 40 30 HKEBHM CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)nc2c1 ZINC000006440194 560742234 /nfs/dbraw/zinc/74/22/34/560742234.db2.gz JQUGNTKIHOIALF-NXYZXBHKSA-N -1 3 404.897 7.118 40 30 HKEBHM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(C)c4[O-])cc3)nc2c1 ZINC000006449714 560742279 /nfs/dbraw/zinc/74/22/79/560742279.db2.gz OKPTZCQVRDETFD-FYDYWCEBSA-N -1 3 418.924 7.426 40 30 HKEBHM CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)ccc4[O-])cc3)nc2c1 ZINC000006449718 560742271 /nfs/dbraw/zinc/74/22/71/560742271.db2.gz JQUGNTKIHOIALF-IXORVSQSSA-N -1 3 404.897 7.118 40 30 HKEBHM Cc1c(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cccc1-c1nc2ccccc2o1 ZINC000006470015 557704013 /nfs/dbraw/zinc/70/40/13/557704013.db2.gz NTGGAEXBNPQAKY-RDRPBHBLSA-N -1 3 418.496 6.850 40 30 HKEBHM [O-]c1ccccc1C=NNc1cc(-c2ccccc2)c2cc(Br)ccc2n1 ZINC000006474400 560630778 /nfs/dbraw/zinc/63/07/78/560630778.db2.gz CKWLQGCAQDKVQH-ZVHZXABRSA-N -1 3 418.294 5.816 40 30 HKEBHM CCOc1ccc(/C=N/c2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c([O-])c1 ZINC000006554291 557707687 /nfs/dbraw/zinc/70/76/87/557707687.db2.gz MOSJTJSAMQOILX-AFUMVMLFSA-N -1 3 406.869 5.927 40 30 HKEBHM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(C)c4[O-])c3)nc2c1 ZINC000006554900 569361833 /nfs/dbraw/zinc/36/18/33/569361833.db2.gz KCJXPGPSNSTMEJ-PJAVDKHJSA-N -1 3 418.924 7.426 40 30 HKEBHM CC[C@@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4[O-])c3)nc2c1 ZINC000006554902 569361859 /nfs/dbraw/zinc/36/18/59/569361859.db2.gz WJHVLMQRLWIBMA-NXYZXBHKSA-N -1 3 404.897 7.118 40 30 HKEBHM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(C)c4[O-])c3)nc2c1 ZINC000006555318 569362104 /nfs/dbraw/zinc/36/21/04/569362104.db2.gz KCJXPGPSNSTMEJ-FYDYWCEBSA-N -1 3 418.924 7.426 40 30 HKEBHM CC[C@H](C)c1ccc2oc(-c3cccc(/N=C/c4cc(Cl)ccc4[O-])c3)nc2c1 ZINC000006555320 569362097 /nfs/dbraw/zinc/36/20/97/569362097.db2.gz WJHVLMQRLWIBMA-IXORVSQSSA-N -1 3 404.897 7.118 40 30 HKEBHM CCOc1cc(Br)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-] ZINC000006570160 557708446 /nfs/dbraw/zinc/70/84/46/557708446.db2.gz CIRDCFBUEQXUIA-HYARGMPZSA-N -1 3 403.320 5.294 40 30 HKEBHM CCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([O-])c1 ZINC000006600689 560632011 /nfs/dbraw/zinc/63/20/11/560632011.db2.gz VFYMBNBAVONMPP-OVVQPSECSA-N -1 3 424.504 5.385 40 30 HKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCCCC1 ZINC000006615630 557710434 /nfs/dbraw/zinc/71/04/34/557710434.db2.gz AIZKWVVUHILAFS-OVVQPSECSA-N -1 3 404.941 6.377 40 30 HKEBHM Cc1c(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cccc1-c1nc2ncccc2o1 ZINC000006714304 557716678 /nfs/dbraw/zinc/71/66/78/557716678.db2.gz YPXJXCWPYXKYKO-STBIYBPSSA-N -1 3 419.484 6.245 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(Oc3ccc(Cl)cc3)cc2)c1[O-] ZINC000006758638 557719515 /nfs/dbraw/zinc/71/95/15/557719515.db2.gz GXMCXQBWAFBHSH-ZMOGYAJESA-N -1 3 402.277 6.641 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1[O-] ZINC000006758639 557719426 /nfs/dbraw/zinc/71/94/26/557719426.db2.gz NPPYCKFMNMTBEP-BRJLIKDPSA-N -1 3 410.832 6.142 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000006764134 569114112 /nfs/dbraw/zinc/11/41/12/569114112.db2.gz IMQCBCHUPZFJES-CYBMUJFWSA-N -1 3 411.596 5.169 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000006764136 569114161 /nfs/dbraw/zinc/11/41/61/569114161.db2.gz PVIBESXCVIVDPQ-CYBMUJFWSA-N -1 3 405.548 5.025 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(C(C)(C)C)cc3)sc2C1 ZINC000006824566 569387450 /nfs/dbraw/zinc/38/74/50/569387450.db2.gz IMQCBCHUPZFJES-ZDUSSCGKSA-N -1 3 411.596 5.169 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000006824568 569387412 /nfs/dbraw/zinc/38/74/12/569387412.db2.gz PVIBESXCVIVDPQ-ZDUSSCGKSA-N -1 3 405.548 5.025 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1[O-] ZINC000006844688 557726654 /nfs/dbraw/zinc/72/66/54/557726654.db2.gz HFIJBOGYPVRQIE-BRJLIKDPSA-N -1 3 410.832 6.142 40 30 HKEBHM Cc1ccc(-c2nc3ccccc3s2)cc1/N=C/c1c([O-])cc(C)c(Cl)c1C ZINC000006846055 557726640 /nfs/dbraw/zinc/72/66/40/557726640.db2.gz HVGPKTRWRYMZSU-BRJLIKDPSA-N -1 3 406.938 6.998 40 30 HKEBHM Cc1ccc(-c2nc(/N=C/c3c([O-])ccc4ccccc43)sc2-c2ccccc2)cc1 ZINC000006857886 568461662 /nfs/dbraw/zinc/46/16/62/568461662.db2.gz SIRNTLULCYJMBX-OGLMXYFKSA-N -1 3 420.537 7.395 40 30 HKEBHM CCCOC(=O)c1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1 ZINC000006891045 557729094 /nfs/dbraw/zinc/72/90/94/557729094.db2.gz KUGPUWFAQLLUQJ-WGOQTCKBSA-N -1 3 407.897 5.954 40 30 HKEBHM [O-]c1ccc(Cc2ccccc2)cc1/C=N/c1ccc(-c2nc3ncccc3o2)cc1 ZINC000006896661 557729223 /nfs/dbraw/zinc/72/92/23/557729223.db2.gz SCZROWYBEZQTKQ-OGLMXYFKSA-N -1 3 405.457 5.937 40 30 HKEBHM C=CCc1cc([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1[O-] ZINC000008036187 568976188 /nfs/dbraw/zinc/97/61/88/568976188.db2.gz QICPNRBBAUUSCA-HSZRJFAPSA-N -1 3 415.924 6.227 40 30 HKEBHM C=CCc1cc([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c2ccc(C)nc2c1[O-] ZINC000008036188 568976296 /nfs/dbraw/zinc/97/62/96/568976296.db2.gz QICPNRBBAUUSCA-QHCPKHFHSA-N -1 3 415.924 6.227 40 30 HKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)cc(Cl)c1[O-] ZINC000008362959 569362117 /nfs/dbraw/zinc/36/21/17/569362117.db2.gz LXXCXFMDABEBHT-HPJGCCTDSA-N -1 3 416.930 5.377 40 30 HKEBHM [O-]c1ccc(Br)cc1C=Nc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000009925877 557851463 /nfs/dbraw/zinc/85/14/63/557851463.db2.gz LVTRVQIFOGUDJN-DJKKODMXSA-N -1 3 421.092 5.058 40 30 HKEBHM Cc1oc2ccc([O-])cc2c1C(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000012195212 558349150 /nfs/dbraw/zinc/34/91/50/558349150.db2.gz UHXUCDCZSZIMPJ-VQHVLOKHSA-N -1 3 423.262 6.365 40 30 HKEBHM CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c([O-])ccc3ccccc32)cc1 ZINC000012381753 558393651 /nfs/dbraw/zinc/39/36/51/558393651.db2.gz SUBSPGYBIRDWDZ-OYKKKHCWSA-N -1 3 402.523 5.272 40 30 HKEBHM CCc1ccc([O-])c(N=CC2=CC(=[NH+][N-]c3cccc(Br)c3)C=CC2=O)c1 ZINC000013574319 560814576 /nfs/dbraw/zinc/81/45/76/560814576.db2.gz HDONNSKTZIXDNM-JLUADYMRSA-N -1 3 424.298 6.589 40 30 HKEBHM O=C1/C(=C/c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013913959 560830313 /nfs/dbraw/zinc/83/03/13/560830313.db2.gz LFMNGFFDCCWSCO-NJMAKWBESA-N -1 3 406.894 5.854 40 30 HKEBHM CCOc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1[O-] ZINC000015016587 558702292 /nfs/dbraw/zinc/70/22/92/558702292.db2.gz OJRBHTXFUFKFFW-DHDCSXOGSA-N -1 3 405.928 5.348 40 30 HKEBHM COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccccc4o3)cc2)c1[O-] ZINC000016215715 558779079 /nfs/dbraw/zinc/77/90/79/558779079.db2.gz GLALJNKPQZXULM-FMCGGJTJSA-N -1 3 423.266 5.722 40 30 HKEBHM COc1ccc(-c2nc(/N=C/c3ccccc3[O-])sc2-c2ccc(OC)cc2)cc1 ZINC000016217375 558779346 /nfs/dbraw/zinc/77/93/46/558779346.db2.gz SALCWEXWCNURQA-MFKUBSTISA-N -1 3 416.502 5.951 40 30 HKEBHM Cc1c(/N=C/c2c([O-])ccc3ccccc32)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000016249935 558780916 /nfs/dbraw/zinc/78/09/16/558780916.db2.gz RUUMMVOLKMUZTI-MZJWZYIUSA-N -1 3 412.876 7.066 40 30 HKEBHM COc1cc(Br)cc(/C=N/c2c(C)cc(Br)cc2C)c1[O-] ZINC000016269356 558782672 /nfs/dbraw/zinc/78/26/72/558782672.db2.gz CHKLTQDQQRPIGC-UFWORHAWSA-N -1 3 413.109 5.293 40 30 HKEBHM Cc1cc(I)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1[O-] ZINC000016269554 558782947 /nfs/dbraw/zinc/78/29/47/558782947.db2.gz RPBAIPYZFCSATA-SSDVNMTOSA-N -1 3 413.258 5.308 40 30 HKEBHM Cc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1[O-] ZINC000016282665 558783463 /nfs/dbraw/zinc/78/34/63/558783463.db2.gz WBIARGGMXNTYPT-ZMOGYAJESA-N -1 3 423.310 5.774 40 30 HKEBHM Cc1cc(Br)cc(/C=N/c2cc(-c3nc4ccccc4[nH]3)ccc2C)c1[O-] ZINC000016311753 558785550 /nfs/dbraw/zinc/78/55/50/558785550.db2.gz FXTNFTHTDFBVJU-WYMPLXKRSA-N -1 3 420.310 6.065 40 30 HKEBHM Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)[N-]c3ccccc3C#N)o2)cc1Cl ZINC000016313030 569031290 /nfs/dbraw/zinc/03/12/90/569031290.db2.gz LJTPEZAVVNGONL-PKNBQFBNSA-N -1 3 421.909 5.307 40 30 HKEBHM Cc1cccc(C(=O)Nc2ccc(/N=C/c3cc(Br)cc(C)c3[O-])cc2)c1 ZINC000016349125 558787520 /nfs/dbraw/zinc/78/75/20/558787520.db2.gz CHXBCPLEKSEMRP-ZMOGYAJESA-N -1 3 423.310 5.774 40 30 HKEBHM [O-]c1ccccc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016449088 558791949 /nfs/dbraw/zinc/79/19/49/558791949.db2.gz QKXCEVSSLMNVAZ-MWRNPHMMSA-N -1 3 404.294 5.647 40 30 HKEBHM O=[N+]([O-])c1ccc(NCCC/N=C/c2cc(Cc3ccccc3Cl)ccc2[O-])cc1 ZINC000016450175 558792226 /nfs/dbraw/zinc/79/22/26/558792226.db2.gz PZJOTKKWBUMEEN-PCLIKHOPSA-N -1 3 423.900 5.466 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000016525809 558795318 /nfs/dbraw/zinc/79/53/18/558795318.db2.gz DXBKBNBWFFDGEP-UVHMKAGCSA-N -1 3 416.839 6.897 40 30 HKEBHM CCOc1cc(Br)c(Br)c(/C=N/c2ccccc2F)c1[O-] ZINC000016688130 558799913 /nfs/dbraw/zinc/79/99/13/558799913.db2.gz QMXASDYXHSEHOO-UFWORHAWSA-N -1 3 417.072 5.206 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2cc(-c3nc4ccccc4o3)ccc2OC)c1[O-] ZINC000016688202 558799939 /nfs/dbraw/zinc/79/99/39/558799939.db2.gz ZDKKBTPVFYMMHQ-DHRITJCHSA-N -1 3 422.868 6.012 40 30 HKEBHM CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1[O-] ZINC000016688211 558799997 /nfs/dbraw/zinc/79/99/97/558799997.db2.gz NEQNOSWGXADXFN-DHRITJCHSA-N -1 3 422.937 6.780 40 30 HKEBHM CCOc1cc(Br)cc(/C=N\c2ccc(N3CCCCC3)cc2)c1[O-] ZINC000016688240 558799893 /nfs/dbraw/zinc/79/98/93/558799893.db2.gz BOTFUNPFJALNTM-HMAPJEAMSA-N -1 3 403.320 5.294 40 30 HKEBHM COc1ccc(C(NNc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000017002740 558811457 /nfs/dbraw/zinc/81/14/57/558811457.db2.gz KNOFAXSPFPCKBS-UEBZNITFSA-N -1 3 420.353 5.003 40 30 HKEBHM COc1ccc(C(NNc2ccccc2)=C(C)C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000017002743 558811544 /nfs/dbraw/zinc/81/15/44/558811544.db2.gz KNOFAXSPFPCKBS-XWJZGMEDSA-N -1 3 420.353 5.003 40 30 HKEBHM Cc1ccc(NC(=O)Cc2c(/N=C/c3ccc([O-])cc3)sc3c2CCCC3)cc1 ZINC000017082973 558815317 /nfs/dbraw/zinc/81/53/17/558815317.db2.gz MZMDANCGCJXJSK-MFKUBSTISA-N -1 3 404.535 5.573 40 30 HKEBHM Cc1sc([N-]C(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)c(C#N)c1C ZINC000017088422 569273420 /nfs/dbraw/zinc/27/34/20/569273420.db2.gz DTLVZXPYPIIMPI-GQCTYLIASA-N -1 3 410.351 5.070 40 30 HKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017089025 569274266 /nfs/dbraw/zinc/27/42/66/569274266.db2.gz KDUPZOGRFQXVKY-HNNXBMFYSA-N -1 3 411.596 5.206 40 30 HKEBHM Cc1ccc(C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017089026 569273955 /nfs/dbraw/zinc/27/39/55/569273955.db2.gz KDUPZOGRFQXVKY-OAHLLOKOSA-N -1 3 411.596 5.206 40 30 HKEBHM N#Cc1c([N-]C(=S)NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCC2 ZINC000017089077 569273783 /nfs/dbraw/zinc/27/37/83/569273783.db2.gz FUGLWLXKPNYLIX-UHFFFAOYSA-N -1 3 411.939 5.042 40 30 HKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000017090388 569274496 /nfs/dbraw/zinc/27/44/96/569274496.db2.gz LASOLPADWAXNIM-CYBMUJFWSA-N -1 3 415.559 5.037 40 30 HKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(F)cc3)sc2C1 ZINC000017090389 569273578 /nfs/dbraw/zinc/27/35/78/569273578.db2.gz LASOLPADWAXNIM-ZDUSSCGKSA-N -1 3 415.559 5.037 40 30 HKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000017090390 569274312 /nfs/dbraw/zinc/27/43/12/569274312.db2.gz NGRLILXZILMQSO-CYBMUJFWSA-N -1 3 415.559 5.037 40 30 HKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(F)c3)sc2C1 ZINC000017090391 569273888 /nfs/dbraw/zinc/27/38/88/569273888.db2.gz NGRLILXZILMQSO-ZDUSSCGKSA-N -1 3 415.559 5.037 40 30 HKEBHM Cc1sc([N-]C(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000017090447 569273556 /nfs/dbraw/zinc/27/35/56/569273556.db2.gz VWOAJAXAJXHEFK-UHFFFAOYSA-N -1 3 415.927 5.277 40 30 HKEBHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017090495 569274214 /nfs/dbraw/zinc/27/42/14/569274214.db2.gz IJXLRLVYYQSFFO-UHFFFAOYSA-N -1 3 416.289 5.252 40 30 HKEBHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017090496 569274178 /nfs/dbraw/zinc/27/41/78/569274178.db2.gz JTIBMAFJWZTMKR-UHFFFAOYSA-N -1 3 416.289 5.252 40 30 HKEBHM CC(C)(C)[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C=Cc3ccccc3)sc2C1 ZINC000017093694 569274515 /nfs/dbraw/zinc/27/45/15/569274515.db2.gz FRLOSEXPLASZLI-ONOODXEBSA-N -1 3 423.607 5.297 40 30 HKEBHM CC(C)(C)[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)C=Cc3ccccc3)sc2C1 ZINC000017093695 569273742 /nfs/dbraw/zinc/27/37/42/569273742.db2.gz FRLOSEXPLASZLI-YHVDPYDOSA-N -1 3 423.607 5.297 40 30 HKEBHM CC(C)c1ccc(/C=C/C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000017093696 569273874 /nfs/dbraw/zinc/27/38/74/569273874.db2.gz XTYYQDFJEOHGAX-USYSOWRXSA-N -1 3 423.607 5.394 40 30 HKEBHM CC(C)c1ccc(/C=C/C(=O)NC(=S)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000017093697 569273842 /nfs/dbraw/zinc/27/38/42/569273842.db2.gz XTYYQDFJEOHGAX-XKOZXHHJSA-N -1 3 423.607 5.394 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017093811 569273398 /nfs/dbraw/zinc/27/33/98/569273398.db2.gz FIYQRLRFJQOLHR-SECBINFHSA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2C1 ZINC000017093812 569273726 /nfs/dbraw/zinc/27/37/26/569273726.db2.gz FIYQRLRFJQOLHR-VIFPVBQESA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000017093817 569274378 /nfs/dbraw/zinc/27/43/78/569274378.db2.gz BRNVWERHMHRPOB-SECBINFHSA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cccc(Cl)c3Cl)sc2C1 ZINC000017093818 569274144 /nfs/dbraw/zinc/27/41/44/569274144.db2.gz BRNVWERHMHRPOB-VIFPVBQESA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000017093819 569273749 /nfs/dbraw/zinc/27/37/49/569273749.db2.gz VGCHNBHNFMULAT-SECBINFHSA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2C1 ZINC000017093820 569273300 /nfs/dbraw/zinc/27/33/00/569273300.db2.gz VGCHNBHNFMULAT-VIFPVBQESA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000017093823 569274005 /nfs/dbraw/zinc/27/40/05/569274005.db2.gz SDUOSXUHTDIXAL-SECBINFHSA-N -1 3 424.378 5.178 40 30 HKEBHM C[C@H]1CCc2c(C#N)c([N-]C(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2C1 ZINC000017093824 569274069 /nfs/dbraw/zinc/27/40/69/569274069.db2.gz SDUOSXUHTDIXAL-VIFPVBQESA-N -1 3 424.378 5.178 40 30 HKEBHM CN1c2ccccc2C(C)(C)[C@@]12CC(c1ccc(/C(=N/[O-])c3ccccc3)cc1)=NO2 ZINC000017241545 558826145 /nfs/dbraw/zinc/82/61/45/558826145.db2.gz NVCYUNMMNBNLNT-DHJMZRGKSA-N -1 3 411.505 5.162 40 30 HKEBHM CN1c2ccccc2C(C)(C)[C@]12CC(c1ccc(/C(=N/[O-])c3ccccc3)cc1)=NO2 ZINC000017241549 524035168 /nfs/dbraw/zinc/03/51/68/524035168.db2.gz NVCYUNMMNBNLNT-GAPOMRBKSA-N -1 3 411.505 5.162 40 30 HKEBHM CCOc1cc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(N)c2C#N)ccc1[O-] ZINC000019832541 569430929 /nfs/dbraw/zinc/43/09/29/569430929.db2.gz QGPQMLCWPYNUBW-UHFFFAOYSA-N -1 3 400.265 5.281 40 30 HKEBHM Cc1cc(C)c(CSc2nnc([N-][NH+]=Cc3cccc(Cl)c3Cl)[n-]2)c(C)c1 ZINC000020344384 558356315 /nfs/dbraw/zinc/35/63/15/558356315.db2.gz KUSFRLHDDCGUTB-LSFURLLWSA-N -1 3 420.369 5.775 40 30 HKEBHM N#Cc1c([N-]C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc2c1CCC2 ZINC000020436531 568606702 /nfs/dbraw/zinc/60/67/02/568606702.db2.gz JXULIJNMTKGIDO-UHFFFAOYSA-N -1 3 404.278 5.323 40 30 HKEBHM Clc1ccc(C=[NH+][N-]c2nnc(SCc3ccc(Cl)c(Cl)c3)[n-]2)cc1 ZINC000020457372 558370536 /nfs/dbraw/zinc/37/05/36/558370536.db2.gz JGEQVSIGCIMROJ-DNTJNYDQSA-N -1 3 412.733 5.503 40 30 HKEBHM COc1ccc(CNc2ccc(Cl)cc2[C@@]([O-])(C#CC2CC2)C(F)(F)F)cc1 ZINC000022054377 524098166 /nfs/dbraw/zinc/09/81/66/524098166.db2.gz BXJWOBQJYQHISM-FQEVSTJZSA-N -1 3 409.835 5.124 40 30 in-vitro HKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000022468682 526344279 /nfs/dbraw/zinc/34/42/79/526344279.db2.gz BJCWHNIZGCOORD-WPWMEQJKSA-N -1 3 420.940 5.219 40 30 HKEBHM Cc1cccnc1N1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000027061642 525534262 /nfs/dbraw/zinc/53/42/62/525534262.db2.gz KSJQSHHFSVUHSY-QFIPXVFZSA-N -1 3 412.489 5.296 40 30 HKEBHM Cc1cccnc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000027061642 525534272 /nfs/dbraw/zinc/53/42/72/525534272.db2.gz KSJQSHHFSVUHSY-QFIPXVFZSA-N -1 3 412.489 5.296 40 30 HKEBHM Cc1cccnc1N1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000027061646 525533164 /nfs/dbraw/zinc/53/31/64/525533164.db2.gz KSJQSHHFSVUHSY-JOCHJYFZSA-N -1 3 412.489 5.296 40 30 HKEBHM Cc1cccnc1N1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000027061646 525533176 /nfs/dbraw/zinc/53/31/76/525533176.db2.gz KSJQSHHFSVUHSY-JOCHJYFZSA-N -1 3 412.489 5.296 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032114885 558753778 /nfs/dbraw/zinc/75/37/78/558753778.db2.gz DNCFWMYGTOUUJJ-YCPBAFNGSA-N -1 3 419.214 6.536 40 30 HKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(OCC)c2[O-])cc1OC ZINC000032114899 558753713 /nfs/dbraw/zinc/75/37/13/558753713.db2.gz DIAZNZBDKJWACQ-YDZHTSKRSA-N -1 3 404.894 5.332 40 30 HKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)ccc2[O-])cc1OC ZINC000032115153 519914376 /nfs/dbraw/zinc/91/43/76/519914376.db2.gz UCUBKKVXKXOMCT-CIAFOILYSA-N -1 3 405.292 5.043 40 30 HKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2[O-])cc1OC ZINC000032115189 519914182 /nfs/dbraw/zinc/91/41/82/519914182.db2.gz JXWZQGQCVUNCER-OVVQPSECSA-N -1 3 416.521 5.871 40 30 HKEBHM [O-]c1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccccc1N1CCOCC1 ZINC000032115208 526344149 /nfs/dbraw/zinc/34/41/49/526344149.db2.gz JXSPTEOVMCZUEE-YZSQISJMSA-N -1 3 406.913 5.224 40 30 HKEBHM CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C)c2[O-])cc1OC ZINC000032115280 519914190 /nfs/dbraw/zinc/91/41/90/519914190.db2.gz XCHZLNVNRMDWOB-WSDLNYQXSA-N -1 3 419.319 5.351 40 30 HKEBHM CCCCc1ccc2nc(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)sc2c1 ZINC000032118804 521288181 /nfs/dbraw/zinc/28/81/81/521288181.db2.gz TZOORLKVVAPWKJ-UHFFFAOYSA-N -1 3 410.779 5.662 40 30 HKEBHM O=C1/C(=C/c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000033600792 569362404 /nfs/dbraw/zinc/36/24/04/569362404.db2.gz FQSYFLALSBWNRK-NJMAKWBESA-N -1 3 412.942 5.982 40 30 HKEBHM C=C(C)[C@H](CC=C(C)C)Cc1c([O-])cc(O)c2c1O[C@H](c1ccccc1O)CC2=O ZINC000033832185 291281704 /nfs/dbraw/zinc/28/17/04/291281704.db2.gz OGBMVWVBHWHRGD-MWTRTKDXSA-N -1 3 408.494 5.601 40 30 biogenic,in-vivo HKEBHM O=C1c2ccccc2C(=O)N1c1ccc(/N=C/c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000038162567 569362586 /nfs/dbraw/zinc/36/25/86/569362586.db2.gz COVXTUZVELKQRX-BHGWPJFGSA-N -1 3 411.244 5.250 40 30 HKEBHM Clc1ccc(COc2ccc(C=N[N-]c3nc4ccccc4o3)cc2)c(Cl)c1 ZINC000059034397 568700060 /nfs/dbraw/zinc/70/00/60/568700060.db2.gz DCDRBTMCOUVGIN-WYMPLXKRSA-N -1 3 412.276 6.160 40 30 HKEBHM Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1 ZINC000059224166 568702791 /nfs/dbraw/zinc/70/27/91/568702791.db2.gz OPHBYPRTSZAWLB-CHHVJCJISA-N -1 3 423.719 5.008 40 30 HKEBHM [O-]c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059248301 568703148 /nfs/dbraw/zinc/70/31/48/568703148.db2.gz KRRWUWIYPMVBSB-KEBDBYFISA-N -1 3 408.704 6.303 40 30 HKEBHM C=CCc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1[O-] ZINC000059302624 568705096 /nfs/dbraw/zinc/70/50/96/568705096.db2.gz VLQBFOHADRSWHL-RDRPBHBLSA-N -1 3 415.577 6.738 40 30 HKEBHM C=CCc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(OCC)c1[O-] ZINC000059302995 568705193 /nfs/dbraw/zinc/70/51/93/568705193.db2.gz CGHVSLLYQKGWKI-YZSQISJMSA-N -1 3 403.478 6.071 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459249 568704308 /nfs/dbraw/zinc/70/43/08/568704308.db2.gz AKCRBTXEFBTQKM-RPPGKUMJSA-N -1 3 405.803 6.394 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1cc(C(F)(F)F)ccc1OCc1ccccc1 ZINC000059459257 568704282 /nfs/dbraw/zinc/70/42/82/568704282.db2.gz QPLNAVYGXDYLKV-WKULSOCRSA-N -1 3 421.418 6.894 40 30 HKEBHM [O-]c1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000059462027 568704701 /nfs/dbraw/zinc/70/47/01/568704701.db2.gz QUCDBVFMCSVGOJ-FOKLQQMPSA-N -1 3 413.237 5.524 40 30 HKEBHM O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3[O-])nc2-c2ccccc2)cc1 ZINC000059463678 568704616 /nfs/dbraw/zinc/70/46/16/568704616.db2.gz MHWPOHZCECVLKD-OEAKJJBVSA-N -1 3 401.447 5.842 40 30 HKEBHM [O-]c1ccccc1/C=N/c1ccc2nc(C(c3ccccc3)c3ccccc3)sc2c1 ZINC000059474869 568707028 /nfs/dbraw/zinc/70/70/28/568707028.db2.gz KJVAAXPTGZTXIK-MTDXEUNCSA-N -1 3 420.537 6.933 40 30 HKEBHM CCCOc1ccc(C(F)(F)F)cc1/N=C/c1cc(Br)ccc1[O-] ZINC000059475452 568707242 /nfs/dbraw/zinc/70/72/42/568707242.db2.gz DXSNPHPNFQAIQB-LSHDLFTRSA-N -1 3 402.210 5.713 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000059475489 568707383 /nfs/dbraw/zinc/70/73/83/568707383.db2.gz XVVKGENUTHSKFZ-VULFUBBASA-N -1 3 400.400 5.151 40 30 HKEBHM O=C(Oc1ccc(/C=N/c2ccc([O-])cc2)cc1)c1sc2ccccc2c1Cl ZINC000059500705 568708354 /nfs/dbraw/zinc/70/83/54/568708354.db2.gz ZUJSWDXOHIXAKS-ZMOGYAJESA-N -1 3 407.878 6.230 40 30 HKEBHM O=C1/C(=C/c2c([O-])ccc3ccccc32)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000059503515 568708685 /nfs/dbraw/zinc/70/86/85/568708685.db2.gz WNICFJXQORVBCG-HXNPFYCNSA-N -1 3 422.509 6.354 40 30 HKEBHM COc1ccccc1N1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000066091542 558983550 /nfs/dbraw/zinc/98/35/50/558983550.db2.gz WYADXOBMBDFRDY-OAQYLSRUSA-N -1 3 419.864 5.132 40 30 HKEBHM COc1ccccc1N1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000066091543 558983594 /nfs/dbraw/zinc/98/35/94/558983594.db2.gz WYADXOBMBDFRDY-NRFANRHFSA-N -1 3 419.864 5.132 40 30 HKEBHM O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc([O-])cc4)cc3)cc2)cc1 ZINC000068603113 558863827 /nfs/dbraw/zinc/86/38/27/558863827.db2.gz ZZSCOBSBVCVPGZ-XUIWWLCJSA-N -1 3 421.456 6.469 40 30 HKEBHM CCCCCCCCCCCCCCCCCC1=NCCN1CS(=O)(=O)[O-] ZINC000073200066 558986082 /nfs/dbraw/zinc/98/60/82/558986082.db2.gz MVWFXALASWBBHY-UHFFFAOYSA-N -1 3 402.645 5.807 40 30 HKEBHM [O-]c1ccc(Br)cc1/C=N\c1ccc(CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000083333845 559051990 /nfs/dbraw/zinc/05/19/90/559051990.db2.gz GZHBNBLEZFDNRE-YSMPRRRNSA-N -1 3 424.382 6.664 40 30 HKEBHM CC(C)(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409760 559056849 /nfs/dbraw/zinc/05/68/49/559056849.db2.gz ZHDRTMLJWBXZSE-QGZVFWFLSA-N -1 3 424.547 5.285 40 30 HKEBHM CC(C)(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409761 559056877 /nfs/dbraw/zinc/05/68/77/559056877.db2.gz ZHDRTMLJWBXZSE-KRWDZBQOSA-N -1 3 424.547 5.285 40 30 HKEBHM CC(C)c1ccc([C@@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409803 559056864 /nfs/dbraw/zinc/05/68/64/559056864.db2.gz GPHILZMMUVVYSM-QGZVFWFLSA-N -1 3 410.520 5.111 40 30 HKEBHM CC(C)c1ccc([C@H]2C(=C([O-])c3cccs3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000085409805 559056839 /nfs/dbraw/zinc/05/68/39/559056839.db2.gz GPHILZMMUVVYSM-KRWDZBQOSA-N -1 3 410.520 5.111 40 30 HKEBHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000095101288 568934561 /nfs/dbraw/zinc/93/45/61/568934561.db2.gz YTLXPZNDBUFFCR-OAQYLSRUSA-N -1 3 419.864 5.137 40 30 HKEBHM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(O)cc3)[C@H]2c2ccccc2Cl)cc1 ZINC000095101289 568934526 /nfs/dbraw/zinc/93/45/26/568934526.db2.gz YTLXPZNDBUFFCR-NRFANRHFSA-N -1 3 419.864 5.137 40 30 HKEBHM CCc1ccc2oc(-c3cccc(/N=C\c4cc(Br)ccc4[O-])c3)nc2c1 ZINC000100159617 559131374 /nfs/dbraw/zinc/13/13/74/559131374.db2.gz NYEHBPHARDZEES-CFRMEGHHSA-N -1 3 421.294 6.276 40 30 HKEBHM COc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000100250207 559133400 /nfs/dbraw/zinc/13/34/00/559133400.db2.gz HRGOSLYHWDMWSR-GXHLCREISA-N -1 3 405.075 5.152 40 30 HKEBHM CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)[N-]C1=O ZINC000100307577 559133972 /nfs/dbraw/zinc/13/39/72/559133972.db2.gz MFFFCCQIZQOHHW-SANMLTNESA-N -1 3 414.634 6.983 40 30 HKEBHM CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)[N-]C1=O ZINC000100307579 559133980 /nfs/dbraw/zinc/13/39/80/559133980.db2.gz MFFFCCQIZQOHHW-AREMUKBSSA-N -1 3 414.634 6.983 40 30 HKEBHM O=C(CSc1nc2ccc(N=Cc3ccccc3[O-])cc2s1)c1ccc(F)cc1 ZINC000100457545 560724735 /nfs/dbraw/zinc/72/47/35/560724735.db2.gz AJBQVIZKOKAQSR-WYMPLXKRSA-N -1 3 422.506 5.867 40 30 HKEBHM CCOC(=O)c1c(/N=C\c2cc(Br)ccc2[O-])sc2c1CCCC2 ZINC000100491795 560724839 /nfs/dbraw/zinc/72/48/39/560724839.db2.gz BGZUNEWFFZHVSO-JMIUGGIZSA-N -1 3 408.317 5.022 40 30 HKEBHM O=[N+]([O-])c1ccc(/C=N\c2ccc(-c3ccc(/N=C/c4ccc([O-])cc4)cc3)cc2)cc1 ZINC000100644059 559137342 /nfs/dbraw/zinc/13/73/42/559137342.db2.gz ZZSCOBSBVCVPGZ-HJVIKEODSA-N -1 3 421.456 6.469 40 30 HKEBHM Cc1ccc(-c2nc3ccccc3[nH]2)cc1/N=C/c1cc(Br)ccc1[O-] ZINC000100815245 558797699 /nfs/dbraw/zinc/79/76/99/558797699.db2.gz MFUYQYAOWMOKHG-FSJBWODESA-N -1 3 406.283 5.757 40 30 HKEBHM CCCCCCCCCCCCCCCCSCc1ccc([O-])c2ncccc12 ZINC000100925736 559141910 /nfs/dbraw/zinc/14/19/10/559141910.db2.gz PTDCGSXDEVEFLL-UHFFFAOYSA-N -1 3 415.687 8.655 40 30 HKEBHM CCCCCCCCCCCCCCC/C(=N\OC(=O)NC)c1cc(C)ccc1[O-] ZINC000100930291 559141862 /nfs/dbraw/zinc/14/18/62/559141862.db2.gz TVXNHJMGIMNWRO-SLEBQGDGSA-N -1 3 418.622 7.242 40 30 HKEBHM COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c1[O-] ZINC000100933748 559141974 /nfs/dbraw/zinc/14/19/74/559141974.db2.gz GLALJNKPQZXULM-FSJBWODESA-N -1 3 423.266 5.722 40 30 HKEBHM CCOc1cc(Br)cc(/C=N/c2ccc(N3CCCCC3)cc2)c1[O-] ZINC000100933848 559141970 /nfs/dbraw/zinc/14/19/70/559141970.db2.gz BOTFUNPFJALNTM-HYARGMPZSA-N -1 3 403.320 5.294 40 30 HKEBHM CCCCCCCCS(=O)(=O)[N-]c1ccc(Cl)cc1/C(=N/O)c1ccccc1 ZINC000100959428 559142277 /nfs/dbraw/zinc/14/22/77/559142277.db2.gz GBULNHOYHZPYDV-XTQSDGFTSA-N -1 3 422.978 5.669 40 30 HKEBHM O=C(/C=C/c1ccc([O-])cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCS1 ZINC000101461089 559146999 /nfs/dbraw/zinc/14/69/99/559146999.db2.gz LBCBRTKXAHUXNU-PWHKKFIBSA-N -1 3 424.543 5.044 40 30 HKEBHM O=C1/C(=C/c2cc(Cl)ccc2[O-])S/C(=N/c2ccccc2)N1c1ccccc1 ZINC000101538307 568936300 /nfs/dbraw/zinc/93/63/00/568936300.db2.gz LFMNGFFDCCWSCO-POHHJLCXSA-N -1 3 406.894 5.854 40 30 HKEBHM [O-]c1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000101754106 560729390 /nfs/dbraw/zinc/72/93/90/560729390.db2.gz ZSPQKNAKQHRSQE-JMIUGGIZSA-N -1 3 408.704 6.303 40 30 HKEBHM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C\c1ccccc1[O-] ZINC000104082412 559157707 /nfs/dbraw/zinc/15/77/07/559157707.db2.gz OCBNPJMBZAFZBT-FLFQWRMESA-N -1 3 424.651 6.127 40 30 HKEBHM CCCCCCCCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1[O-] ZINC000104082417 559157675 /nfs/dbraw/zinc/15/76/75/559157675.db2.gz OCBNPJMBZAFZBT-DARPEHSRSA-N -1 3 424.651 6.127 40 30 HKEBHM CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)NC(=O)[N-]C1=O ZINC000104145914 559158466 /nfs/dbraw/zinc/15/84/66/559158466.db2.gz POUORNAHUUKXTL-VWLOTQADSA-N -1 3 400.607 6.593 40 30 HKEBHM CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)NC(=O)[N-]C1=O ZINC000104145915 559158505 /nfs/dbraw/zinc/15/85/05/559158505.db2.gz POUORNAHUUKXTL-RUZDIDTESA-N -1 3 400.607 6.593 40 30 HKEBHM C/C(=N\OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000104207213 559159016 /nfs/dbraw/zinc/15/90/16/559159016.db2.gz QRPSMPAGVRMXMT-LSHDLFTRSA-N -1 3 405.237 5.243 40 30 HKEBHM C/C(=N/OC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)c1ccccc1[O-] ZINC000104207216 559159035 /nfs/dbraw/zinc/15/90/35/559159035.db2.gz QRPSMPAGVRMXMT-YVNNLAQVSA-N -1 3 405.237 5.243 40 30 HKEBHM CCCCCCCCCSc1nc2ccc(/N=C\c3ccccc3[O-])cc2s1 ZINC000104213487 559159137 /nfs/dbraw/zinc/15/91/37/559159137.db2.gz STSVSXDVCDJSTJ-ULJHMMPZSA-N -1 3 412.624 7.595 40 30 HKEBHM CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1[O-] ZINC000104350069 559160502 /nfs/dbraw/zinc/16/05/02/559160502.db2.gz UQOUMLSYUBEUEW-QLYXXIJNSA-N -1 3 419.679 6.672 40 30 HKEBHM CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1[O-] ZINC000104350074 559160476 /nfs/dbraw/zinc/16/04/76/559160476.db2.gz UQOUMLSYUBEUEW-YYADALCUSA-N -1 3 419.679 6.672 40 30 HKEBHM CCCCCCCCCCCCNC(=S)N/N=C\c1c([O-])ccc2ccccc21 ZINC000104373383 559160711 /nfs/dbraw/zinc/16/07/11/559160711.db2.gz QSAZDOCZTSTXPY-XHPQRKPJSA-N -1 3 413.631 6.264 40 30 HKEBHM CCCCCCCCCCCCNC(=S)N/N=C/c1c([O-])ccc2ccccc21 ZINC000104373388 559160747 /nfs/dbraw/zinc/16/07/47/559160747.db2.gz QSAZDOCZTSTXPY-LGUFXXKBSA-N -1 3 413.631 6.264 40 30 HKEBHM O=C(COc1c(Cl)cc(/C=N\[O-])cc1Cl)Nc1ccc(Cl)c(Cl)c1 ZINC000106682482 569362733 /nfs/dbraw/zinc/36/27/33/569362733.db2.gz WSRCCHCKFOAVBX-IOXNKQMXSA-N -1 3 408.068 5.126 40 30 HKEBHM CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000107584062 569362707 /nfs/dbraw/zinc/36/27/07/569362707.db2.gz QAZXKCYURVIQCB-DNTJNYDQSA-N -1 3 419.102 5.542 40 30 HKEBHM N#Cc1ccccc1[N-]C(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000107784425 569352898 /nfs/dbraw/zinc/35/28/98/569352898.db2.gz ZHTHJLCURYYMAC-UHFFFAOYSA-N -1 3 406.319 5.207 40 30 HKEBHM CCOc1cc(/C=N\[O-])ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000107849376 569362793 /nfs/dbraw/zinc/36/27/93/569362793.db2.gz YOZSOAKUXAHWLX-MYYYXRDXSA-N -1 3 407.466 5.060 40 30 HKEBHM CCOC(=O)c1sc([N-]C(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(C#N)c1C ZINC000107922390 569353158 /nfs/dbraw/zinc/35/31/58/569353158.db2.gz QIQKNPSCDRZDCY-UHFFFAOYSA-N -1 3 408.479 5.234 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc(Br)cc1Br ZINC000111944398 560775149 /nfs/dbraw/zinc/77/51/49/560775149.db2.gz RZFKFVHAOWVEKG-KEBDBYFISA-N -1 3 405.089 5.821 40 30 HKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)cc(Cl)c1[O-] ZINC000213160288 571049162 /nfs/dbraw/zinc/04/91/62/571049162.db2.gz FBURTFGCBCCYHM-HPJGCCTDSA-N -1 3 416.930 5.241 40 30 HKEBHM CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000216825875 569024960 /nfs/dbraw/zinc/02/49/60/569024960.db2.gz MPNWXVHIZXURMZ-ZBKNUEDVSA-N -1 3 419.102 5.542 40 30 HKEBHM CCOc1cc(/C=N\[O-])cc(Br)c1OCc1ccc(F)cc1Cl ZINC000216825926 569024987 /nfs/dbraw/zinc/02/49/87/569024987.db2.gz CFBKOMNENKEJIB-ZBKNUEDVSA-N -1 3 402.647 5.027 40 30 HKEBHM [O-]/N=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000226339570 568806559 /nfs/dbraw/zinc/80/65/59/568806559.db2.gz SOJUPMBJXJUGIU-WSVATBPTSA-N -1 3 419.500 5.252 40 30 HKEBHM [O-]/N=C\c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 ZINC000226339576 568806399 /nfs/dbraw/zinc/80/63/99/568806399.db2.gz FWCFPHLXRXNFON-WSVATBPTSA-N -1 3 419.500 5.252 40 30 HKEBHM [O-]/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226339594 568806411 /nfs/dbraw/zinc/80/64/11/568806411.db2.gz UUMDNJLCNGAITC-SWNXQHNESA-N -1 3 409.494 5.796 40 30 HKEBHM [O-]/N=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000226339611 568822512 /nfs/dbraw/zinc/82/25/12/568822512.db2.gz MUUGEPHOTAGAIX-SWNXQHNESA-N -1 3 409.494 5.796 40 30 HKEBHM [O-]/N=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000226364355 559273744 /nfs/dbraw/zinc/27/37/44/559273744.db2.gz KIIHTAQJZISRSQ-WSVATBPTSA-N -1 3 419.500 5.252 40 30 HKEBHM [O-]/N=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 ZINC000253567674 569374128 /nfs/dbraw/zinc/37/41/28/569374128.db2.gz KIIHTAQJZISRSQ-CNHKJKLMSA-N -1 3 419.500 5.252 40 30 HKEBHM CCOc1cc(/C=N/[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000253569653 569374088 /nfs/dbraw/zinc/37/40/88/569374088.db2.gz MPNWXVHIZXURMZ-DNTJNYDQSA-N -1 3 419.102 5.542 40 30 HKEBHM CCOc1cc(Br)cc(C=Nc2ccc(N3CCCCC3)cc2)c1[O-] ZINC000254790064 569374933 /nfs/dbraw/zinc/37/49/33/569374933.db2.gz BOTFUNPFJALNTM-UHFFFAOYSA-N -1 3 403.320 5.294 40 30 HKEBHM COc1ccc(Br)c(C=Nc2ccc(-c3nc4ccccc4o3)cc2)c1[O-] ZINC000254855145 569375059 /nfs/dbraw/zinc/37/50/59/569375059.db2.gz GLALJNKPQZXULM-UHFFFAOYSA-N -1 3 423.266 5.722 40 30 HKEBHM CCOc1cc(COc2ccc(/C=N\[O-])cc2OC)ccc1OCc1ccccc1 ZINC000408539283 557359832 /nfs/dbraw/zinc/35/98/32/557359832.db2.gz GMVSMCNKCJBLOH-MYYYXRDXSA-N -1 3 407.466 5.060 40 30 HKEBHM CCCCCCCCOc1c(Br)cc(/C=N\[O-])cc1Br ZINC000408539407 558487892 /nfs/dbraw/zinc/48/78/92/558487892.db2.gz HEKDNZKEQGPVGL-WQRHYEAKSA-N -1 3 407.146 5.759 40 30 HKEBHM CCOc1cc(/C=N\[O-])ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 ZINC000408540092 558488423 /nfs/dbraw/zinc/48/84/23/558488423.db2.gz MZGMWBMUXMSHNJ-QQXSKIMKSA-N -1 3 421.493 5.450 40 30 HKEBHM Cc1sc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c(C#N)c1C ZINC000408572593 558506192 /nfs/dbraw/zinc/50/61/92/558506192.db2.gz KWHGJXIJBLZZKE-PKNBQFBNSA-N -1 3 407.520 5.023 40 30 HKEBHM [O-]c1ccc(Br)cc1/C=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000408718068 558585759 /nfs/dbraw/zinc/58/57/59/558585759.db2.gz GXRDJSRRSDHGSV-YDZHTSKRSA-N -1 3 420.266 5.622 40 30 HKEBHM COc1cc(-c2nc3ccc(Br)cn3c2/N=C/c2ccccc2)ccc1[O-] ZINC000408720684 558584374 /nfs/dbraw/zinc/58/43/74/558584374.db2.gz CFPYMSPXHUOZAA-FSJBWODESA-N -1 3 422.282 5.229 40 30 HKEBHM [O-]N=C(Nc1ccc(Cl)c(Cl)c1)C(=NO)Nc1ccc(Cl)c(Cl)c1 ZINC000408720908 558587661 /nfs/dbraw/zinc/58/76/61/558587661.db2.gz ASEBHGOHFBPSGO-UHFFFAOYSA-N -1 3 408.072 5.400 40 30 HKEBHM [O-]c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408732401 558591071 /nfs/dbraw/zinc/59/10/71/558591071.db2.gz QSIGAUZKZLNURU-MWAVMZGNSA-N -1 3 414.508 7.268 40 30 HKEBHM COc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1[O-] ZINC000408735966 558594526 /nfs/dbraw/zinc/59/45/26/558594526.db2.gz YZEYWQAJVLGWLN-YDZHTSKRSA-N -1 3 422.282 5.229 40 30 HKEBHM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1 ZINC000408737620 558595802 /nfs/dbraw/zinc/59/58/02/558595802.db2.gz FBAPHDRHUAUPSN-NVNXTCNLSA-N -1 3 423.719 5.008 40 30 HKEBHM Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)ccc3[O-])S2)cc1Cl ZINC000408739545 558598499 /nfs/dbraw/zinc/59/84/99/558598499.db2.gz XLYUIDGSBFYDCB-CHHVJCJISA-N -1 3 423.719 5.008 40 30 HKEBHM [O-]c1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408739737 558599460 /nfs/dbraw/zinc/59/94/60/558599460.db2.gz FCXPQUPMPMIYAE-MWAVMZGNSA-N -1 3 414.508 7.268 40 30 HKEBHM [O-]c1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408742056 558599849 /nfs/dbraw/zinc/59/98/49/558599849.db2.gz URAXXKJSAQCKSG-MWAVMZGNSA-N -1 3 414.508 7.268 40 30 HKEBHM O=C(NCc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2[O-])sc2c1CCCC2 ZINC000408767933 558627814 /nfs/dbraw/zinc/62/78/14/558627814.db2.gz RIJYTWYTHHNTLM-WGARJPEWSA-N -1 3 424.953 5.667 40 30 HKEBHM O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1c([O-])ccc2ccccc21 ZINC000408776670 558635702 /nfs/dbraw/zinc/63/57/02/558635702.db2.gz PWSHMSLUZZJTND-LICLKQGHSA-N -1 3 415.301 5.744 40 30 HKEBHM Cc1cc(/C=N\c2ccccc2[O-])c(C)n1-c1ccc(I)cc1 ZINC000408783822 560641263 /nfs/dbraw/zinc/64/12/63/560641263.db2.gz NKUXRYIACDUCKH-MTJSOVHGSA-N -1 3 416.262 5.155 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1c(-c2ccc(Cl)cc2Cl)nc2ccccn21 ZINC000408822699 560645250 /nfs/dbraw/zinc/64/52/50/560645250.db2.gz SLPIYMQMALHHQN-BHGWPJFGSA-N -1 3 416.695 6.418 40 30 HKEBHM O=C(NCc1ccco1)c1c2c(sc1/N=C\c1cc(Cl)ccc1[O-])CCCC2 ZINC000408845477 558675572 /nfs/dbraw/zinc/67/55/72/558675572.db2.gz FSIBWKFFRYMCCL-MYKKPKGFSA-N -1 3 414.914 5.260 40 30 HKEBHM O=C(Nc1ccccc1)c1c(/N=C\c2cc(Cl)ccc2[O-])sc2c1CCCC2 ZINC000408849352 558681841 /nfs/dbraw/zinc/68/18/41/558681841.db2.gz WGHXUXQQSDGRBD-CFRMEGHHSA-N -1 3 410.926 5.989 40 30 HKEBHM [O-]c1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408851393 558685342 /nfs/dbraw/zinc/68/53/42/558685342.db2.gz YQQPJSYFTBYQFB-JMIUGGIZSA-N -1 3 408.704 6.303 40 30 HKEBHM Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2cc(Br)ccc2[O-])S1 ZINC000408854598 558691116 /nfs/dbraw/zinc/69/11/16/558691116.db2.gz ABOGGSQBWYDLPY-NVNXTCNLSA-N -1 3 423.719 5.008 40 30 HKEBHM CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1[O-] ZINC000408860798 560648047 /nfs/dbraw/zinc/64/80/47/560648047.db2.gz FINFNLZKQFWYLM-SXGWCWSVSA-N -1 3 423.321 5.298 40 30 HKEBHM CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1[O-] ZINC000408863224 560648277 /nfs/dbraw/zinc/64/82/77/560648277.db2.gz MEQFZKCNBZXUEO-PXNMLYILSA-N -1 3 423.321 5.298 40 30 HKEBHM Cc1ccc(C)n1-c1ccc(/N=C\c2ccc([O-])c(I)c2)cc1 ZINC000408904589 560651810 /nfs/dbraw/zinc/65/18/10/560651810.db2.gz LVXNKFIPBGZINX-MTJSOVHGSA-N -1 3 416.262 5.155 40 30 HKEBHM CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408905630 560651941 /nfs/dbraw/zinc/65/19/41/560651941.db2.gz BTIHPYOBDADJJD-UXTWZOPHSA-N -1 3 416.930 5.295 40 30 HKEBHM CCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1c(C)cccc1C ZINC000408906070 558729077 /nfs/dbraw/zinc/72/90/77/558729077.db2.gz HBKATJPWKAQXCZ-ZRXYRDEMSA-N -1 3 416.930 5.295 40 30 HKEBHM COc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Cl)c1[O-] ZINC000408906150 558729296 /nfs/dbraw/zinc/72/92/96/558729296.db2.gz HUIYKMCTUXQBTI-SLHJDRLVSA-N -1 3 402.903 5.067 40 30 HKEBHM CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc(Cl)c1[O-] ZINC000408906698 560651971 /nfs/dbraw/zinc/65/19/71/560651971.db2.gz JRYLXLXGEYCWGY-HPJGCCTDSA-N -1 3 416.930 5.457 40 30 HKEBHM CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908619 560652725 /nfs/dbraw/zinc/65/27/25/560652725.db2.gz ATHFSUVTZCRGSL-HPJGCCTDSA-N -1 3 416.930 5.377 40 30 HKEBHM CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OCC)c2)S/C1=N\c1ccccc1 ZINC000408908856 560652835 /nfs/dbraw/zinc/65/28/35/560652835.db2.gz SNOYZSTYYUGPRV-CEOOYPSPSA-N -1 3 416.930 5.458 40 30 HKEBHM CCCN1C(=O)/C(=C\c2cc(Cl)c([O-])c(OC)c2)S/C1=N\c1ccccc1 ZINC000408908907 558729904 /nfs/dbraw/zinc/72/99/04/558729904.db2.gz TUUWWUNMYYKVMD-JRLDGGGSSA-N -1 3 402.903 5.068 40 30 HKEBHM COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Cl)c1[O-] ZINC000408909957 558732021 /nfs/dbraw/zinc/73/20/21/558732021.db2.gz FTJRQMGQWFIVED-UXTWZOPHSA-N -1 3 416.930 5.375 40 30 HKEBHM CC(C)N1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408910364 560653148 /nfs/dbraw/zinc/65/31/48/560653148.db2.gz KLDFFIYIEXSJSO-SMSCYPBYSA-N -1 3 417.328 5.167 40 30 HKEBHM O=C1/C(=C\c2cc(Cl)ccc2[O-])S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408910888 560653234 /nfs/dbraw/zinc/65/32/34/560653234.db2.gz MANFXTWARVFXMO-LISDSOCTSA-N -1 3 420.921 5.850 40 30 HKEBHM CCCCN1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408912092 560652557 /nfs/dbraw/zinc/65/25/57/560652557.db2.gz KYRJRTXVLLTNHF-DNLCFCFBSA-N -1 3 400.931 5.758 40 30 HKEBHM Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3[O-])C(=O)N2CC(C)C)cc1 ZINC000408912677 560652552 /nfs/dbraw/zinc/65/25/52/560652552.db2.gz LKOKTBVNHXYWFH-ZHUAHHRVSA-N -1 3 400.931 5.614 40 30 HKEBHM CCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408913281 560653548 /nfs/dbraw/zinc/65/35/48/560653548.db2.gz SNLUUZUOSVHCSA-SMSCYPBYSA-N -1 3 417.328 5.087 40 30 HKEBHM CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)c([O-])c(OC)c2)C(=O)N1CC ZINC000408914058 560653811 /nfs/dbraw/zinc/65/38/11/560653811.db2.gz SGTDVZLXLSYVTP-HPJGCCTDSA-N -1 3 416.930 5.241 40 30 HKEBHM CCCN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N\c1ccccc1 ZINC000408915309 558734667 /nfs/dbraw/zinc/73/46/67/558734667.db2.gz ZKVDRMIFKXEKPU-CUNGHOPLSA-N -1 3 417.328 5.169 40 30 HKEBHM CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408916229 558735135 /nfs/dbraw/zinc/73/51/35/558735135.db2.gz WHCGJIMKEHUTJN-COBJSXJPSA-N -1 3 400.931 5.757 40 30 HKEBHM CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)ccc2[O-])S/C1=N\c1ccc(C)cc1 ZINC000408916230 560654208 /nfs/dbraw/zinc/65/42/08/560654208.db2.gz WHCGJIMKEHUTJN-UESVEAJBSA-N -1 3 400.931 5.757 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408940731 560656268 /nfs/dbraw/zinc/65/62/68/560656268.db2.gz OPZIMJNVZBSMOX-PYYTVRKUSA-N -1 3 400.909 6.623 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408940738 560656296 /nfs/dbraw/zinc/65/62/96/560656296.db2.gz OPZIMJNVZBSMOX-QSKSHKASSA-N -1 3 400.909 6.623 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408940743 558754690 /nfs/dbraw/zinc/75/46/90/558754690.db2.gz OPZIMJNVZBSMOX-VZQTZOBLSA-N -1 3 400.909 6.623 40 30 HKEBHM [O-]c1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408940748 558754670 /nfs/dbraw/zinc/75/46/70/558754670.db2.gz OPZIMJNVZBSMOX-YTEYGYDXSA-N -1 3 400.909 6.623 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408945186 558754875 /nfs/dbraw/zinc/75/48/75/558754875.db2.gz WDFOHHADARMGPQ-JISQMYCESA-N -1 3 416.524 7.123 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408945188 558755202 /nfs/dbraw/zinc/75/52/02/558755202.db2.gz WDFOHHADARMGPQ-YJVAXANFSA-N -1 3 416.524 7.123 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408945190 558755263 /nfs/dbraw/zinc/75/52/63/558755263.db2.gz WDFOHHADARMGPQ-YUMWLGHMSA-N -1 3 416.524 7.123 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408945192 560656537 /nfs/dbraw/zinc/65/65/37/560656537.db2.gz WDFOHHADARMGPQ-ZSJALTFISA-N -1 3 416.524 7.123 40 30 HKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3[O-])cc1)N2 ZINC000408945775 558755269 /nfs/dbraw/zinc/75/52/69/558755269.db2.gz XHNNCTIKEIHCFW-GOYBLYOSSA-N -1 3 414.936 6.931 40 30 HKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3[O-])cc1)N2 ZINC000408945777 558755257 /nfs/dbraw/zinc/75/52/57/558755257.db2.gz XHNNCTIKEIHCFW-GZCWKIMISA-N -1 3 414.936 6.931 40 30 HKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3cc(Cl)ccc3[O-])cc1)N2 ZINC000408945779 558755185 /nfs/dbraw/zinc/75/51/85/558755185.db2.gz XHNNCTIKEIHCFW-KHPGZEOPSA-N -1 3 414.936 6.931 40 30 HKEBHM Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3cc(Cl)ccc3[O-])cc1)N2 ZINC000408945781 560656481 /nfs/dbraw/zinc/65/64/81/560656481.db2.gz XHNNCTIKEIHCFW-WDNMFVQISA-N -1 3 414.936 6.931 40 30 HKEBHM O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2[O-])sc2c1CCCCCC2 ZINC000408970967 558797761 /nfs/dbraw/zinc/79/77/61/558797761.db2.gz BOHSSVZHAOUQTM-PCLIKHOPSA-N -1 3 404.535 6.116 40 30 HKEBHM O=C(Nc1ccccc1)c1c(/N=C/c2cccc([O-])c2)sc2c1CCCCCC2 ZINC000408971632 560659196 /nfs/dbraw/zinc/65/91/96/560659196.db2.gz KNRDIRLXHWEEGW-PCLIKHOPSA-N -1 3 404.535 6.116 40 30 HKEBHM O=C(Nc1ccccc1)c1c(/N=C/c2ccc([O-])cc2)sc2c1CCCCCC2 ZINC000408973400 558810641 /nfs/dbraw/zinc/81/06/41/558810641.db2.gz YUPXEFRKERTHEO-PCLIKHOPSA-N -1 3 404.535 6.116 40 30 HKEBHM [O-]c1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408976500 560660492 /nfs/dbraw/zinc/66/04/92/560660492.db2.gz FUEPKYOIVGVSHE-JVWAILMASA-N -1 3 412.558 7.467 40 30 HKEBHM Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c([O-])ccc2cc(Br)ccc21 ZINC000408977323 560660606 /nfs/dbraw/zinc/66/06/06/560660606.db2.gz VJUVXCSUJPKHNR-ZMOGYAJESA-N -1 3 420.310 5.861 40 30 HKEBHM Clc1cccc(Cl)c1COc1ccc(C=N[N-]c2nc3ccccc3o2)cc1 ZINC000408982248 558831915 /nfs/dbraw/zinc/83/19/15/558831915.db2.gz CXOPVQHWCMPKBQ-WYMPLXKRSA-N -1 3 412.276 6.160 40 30 HKEBHM C=CCc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1[O-] ZINC000408992336 560662389 /nfs/dbraw/zinc/66/23/89/560662389.db2.gz AGDSSPVXKHVDIG-WGOQTCKBSA-N -1 3 422.594 5.874 40 30 HKEBHM C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1[O-] ZINC000408996758 558853021 /nfs/dbraw/zinc/85/30/21/558853021.db2.gz NARJNTGHQLQZFC-VULFUBBASA-N -1 3 420.534 5.335 40 30 HKEBHM C=CCc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc(OCC)c1[O-] ZINC000409003150 560664846 /nfs/dbraw/zinc/66/48/46/560664846.db2.gz RHYUXYRTFULRBR-UHFFFAOYSA-N -1 3 410.539 5.556 40 30 HKEBHM [O-]/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409045541 558896878 /nfs/dbraw/zinc/89/68/78/558896878.db2.gz ZCFKVQVHYGQFOP-CNHKJKLMSA-N -1 3 419.500 5.252 40 30 HKEBHM [O-]/N=C/c1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409048822 558895307 /nfs/dbraw/zinc/89/53/07/558895307.db2.gz UEQCWAQIHLQOBR-CNHKJKLMSA-N -1 3 419.500 5.252 40 30 HKEBHM [O-]c1c(/C=N/c2ccc(Br)cc2Br)ccc2ccccc12 ZINC000409053484 560669800 /nfs/dbraw/zinc/66/98/00/560669800.db2.gz KFQBEKSUFVILHR-KEBDBYFISA-N -1 3 405.089 5.821 40 30 HKEBHM N#Cc1c2c(sc1/N=C/c1cc(C34CC5CC(CC(C5)C3)C4)ccc1[O-])CCCC2 ZINC000409086710 558929113 /nfs/dbraw/zinc/92/91/13/558929113.db2.gz ARZHHMXGKBRWPI-RWPZCVJISA-N -1 3 416.590 6.423 40 30 HKEBHM [O-]c1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000409090664 560675278 /nfs/dbraw/zinc/67/52/78/560675278.db2.gz NAJJTOCKINADRF-QFEZKATASA-N -1 3 403.551 5.916 40 30 HKEBHM CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1ccc([O-])cc1 ZINC000409109545 560677651 /nfs/dbraw/zinc/67/76/51/560677651.db2.gz HARCZCCPCJZRIQ-XKZIYDEJSA-N -1 3 407.451 5.161 40 30 HKEBHM CC(=O)Nc1ccccc1Sc1ccc(/C=N\c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000409136873 560682565 /nfs/dbraw/zinc/68/25/65/560682565.db2.gz VHZHEZOOKMIQHM-XKZIYDEJSA-N -1 3 407.451 5.161 40 30 HKEBHM CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1[O-] ZINC000409208128 560691718 /nfs/dbraw/zinc/69/17/18/560691718.db2.gz BDPMLCVSGWYCKF-DJKKODMXSA-N -1 3 415.658 5.108 40 30 HKEBHM CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1[O-] ZINC000409210742 559019542 /nfs/dbraw/zinc/01/95/42/559019542.db2.gz KWOKRZYVWOFRCL-DJKKODMXSA-N -1 3 415.658 5.108 40 30 HKEBHM CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1[O-] ZINC000409214293 559021348 /nfs/dbraw/zinc/02/13/48/559021348.db2.gz XFVRTNMDWKGEQJ-DJKKODMXSA-N -1 3 415.658 5.108 40 30 HKEBHM C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1[O-] ZINC000409216506 560697323 /nfs/dbraw/zinc/69/73/23/560697323.db2.gz IRHDNBCJEXJBBJ-HSOLMKNUSA-N -1 3 408.567 5.964 40 30 HKEBHM C=CCc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1[O-] ZINC000409216507 560697290 /nfs/dbraw/zinc/69/72/90/560697290.db2.gz IRHDNBCJEXJBBJ-OXVLKEGXSA-N -1 3 408.567 5.964 40 30 HKEBHM Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2cc(Br)ccc2[O-])S1 ZINC000409220734 560698597 /nfs/dbraw/zinc/69/85/97/560698597.db2.gz FBAPHDRHUAUPSN-OVCLIPMQSA-N -1 3 423.719 5.008 40 30 HKEBHM CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1[O-] ZINC000409229640 559035867 /nfs/dbraw/zinc/03/58/67/559035867.db2.gz SDZOJYYRADMRHZ-CXUHLZMHSA-N -1 3 423.321 5.298 40 30 HKEBHM CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1[O-] ZINC000409247128 559050248 /nfs/dbraw/zinc/05/02/48/559050248.db2.gz BHFXHOQCEXXOKU-ZXMQTSGQSA-N -1 3 420.893 5.207 40 30 HKEBHM O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1[O-] ZINC000409275615 560705314 /nfs/dbraw/zinc/70/53/14/560705314.db2.gz KPKBBYMFSXJTLB-UHFFFAOYSA-N -1 3 415.836 5.051 40 30 HKEBHM O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cc(Cl)ccc1[O-] ZINC000409282075 560706340 /nfs/dbraw/zinc/70/63/40/560706340.db2.gz MLXUKGSVTDPASP-UHFFFAOYSA-N -1 3 415.836 5.051 40 30 HKEBHM Cc1ccc(-c2oc(/N=C/c3ccc([O-])cc3O)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409348852 559066903 /nfs/dbraw/zinc/06/69/03/559066903.db2.gz PQTPKHLCWMTSKV-RWPZCVJISA-N -1 3 408.457 6.264 40 30 HKEBHM Cc1ccc(-c2oc(/N=C/c3ccc(O)c([O-])c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409350014 560713579 /nfs/dbraw/zinc/71/35/79/560713579.db2.gz SGNDOYFXOQZXPO-RWPZCVJISA-N -1 3 408.457 6.264 40 30 HKEBHM Cc1ccc(-c2oc(/N=C/c3ccc([O-])c(O)c3)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409350014 560713580 /nfs/dbraw/zinc/71/35/80/560713580.db2.gz SGNDOYFXOQZXPO-RWPZCVJISA-N -1 3 408.457 6.264 40 30 HKEBHM Cc1ccc(-c2oc(/N=C/c3cc(C)ccc3[O-])c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409355934 559069616 /nfs/dbraw/zinc/06/96/16/559069616.db2.gz FVTAOVMYDKBKKK-MUFRIFMGSA-N -1 3 406.485 6.867 40 30 HKEBHM COc1cc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)ccc1[O-] ZINC000409356871 560715496 /nfs/dbraw/zinc/71/54/96/560715496.db2.gz HTYJMVTUEUCWFL-MUFRIFMGSA-N -1 3 422.484 6.567 40 30 HKEBHM COc1ccc([O-])c(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1 ZINC000409364648 559069843 /nfs/dbraw/zinc/06/98/43/559069843.db2.gz XUCNTSLKOFZIHX-MUFRIFMGSA-N -1 3 422.484 6.567 40 30 HKEBHM CCCn1c(C)cc(CN2CCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c1C ZINC000585293893 568746353 /nfs/dbraw/zinc/74/63/53/568746353.db2.gz BOZGLPFFBPAYJF-NRFANRHFSA-N -1 3 420.586 5.319 40 30 HKEBHM CCCn1c(C)cc(CN2CCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)c1C ZINC000585293894 568746319 /nfs/dbraw/zinc/74/63/19/568746319.db2.gz BOZGLPFFBPAYJF-OAQYLSRUSA-N -1 3 420.586 5.319 40 30 HKEBHM CC(C)Cc1ccc(CN2CCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585295106 568746493 /nfs/dbraw/zinc/74/64/93/568746493.db2.gz LXLOXCAQASMCME-FQEVSTJZSA-N -1 3 423.611 5.750 40 30 HKEBHM CC(C)Cc1ccc(CN2CCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585295107 568746389 /nfs/dbraw/zinc/74/63/89/568746389.db2.gz LXLOXCAQASMCME-HXUWFJFHSA-N -1 3 423.611 5.750 40 30 HKEBHM Cc1ccc(CCCN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)o1 ZINC000585295150 568746280 /nfs/dbraw/zinc/74/62/80/568746280.db2.gz NERIVIBCGSNLSY-FQEVSTJZSA-N -1 3 407.543 5.215 40 30 HKEBHM Cc1ccc(CCCN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)o1 ZINC000585295151 568746649 /nfs/dbraw/zinc/74/66/49/568746649.db2.gz NERIVIBCGSNLSY-HXUWFJFHSA-N -1 3 407.543 5.215 40 30 HKEBHM CCCc1ccc(CN2CCCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)o1 ZINC000585295245 568746464 /nfs/dbraw/zinc/74/64/64/568746464.db2.gz ROVZYNMEXXONPN-FQEVSTJZSA-N -1 3 407.543 5.426 40 30 HKEBHM CCCc1ccc(CN2CCCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)o1 ZINC000585295246 568746472 /nfs/dbraw/zinc/74/64/72/568746472.db2.gz ROVZYNMEXXONPN-HXUWFJFHSA-N -1 3 407.543 5.426 40 30 HKEBHM CCCCc1ccc(CN2CCC[C@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585295329 568746785 /nfs/dbraw/zinc/74/67/85/568746785.db2.gz VNTXQBNQGJARRY-FQEVSTJZSA-N -1 3 423.611 5.895 40 30 HKEBHM CCCCc1ccc(CN2CCC[C@@H]2c2csc([N-]c3cc(C#N)ccn3)n2)s1 ZINC000585295330 568747228 /nfs/dbraw/zinc/74/72/28/568747228.db2.gz VNTXQBNQGJARRY-HXUWFJFHSA-N -1 3 423.611 5.895 40 30 HKEBHM N#Cc1ccnc([N-]c2nc([C@@H]3CCCCN3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295354 568746124 /nfs/dbraw/zinc/74/61/24/568746124.db2.gz WKUNZIYSHCXAIQ-NRFANRHFSA-N -1 3 414.538 5.362 40 30 HKEBHM N#Cc1ccnc([N-]c2nc([C@H]3CCCCN3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295355 568745905 /nfs/dbraw/zinc/74/59/05/568745905.db2.gz WKUNZIYSHCXAIQ-OAQYLSRUSA-N -1 3 414.538 5.362 40 30 HKEBHM N#Cc1ccnc([N-]c2nc([C@@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cs2)c1 ZINC000585295440 568746809 /nfs/dbraw/zinc/74/68/09/568746809.db2.gz ZKPFAJBMFQCHKL-NRFANRHFSA-N -1 3 414.538 5.362 40 30 HKEBHM N#Cc1ccnc([N-]c2nc([C@H]3CCCCN3Cc3ccc4[nH]ccc4c3)cs2)c1 ZINC000585295441 568746414 /nfs/dbraw/zinc/74/64/14/568746414.db2.gz ZKPFAJBMFQCHKL-OAQYLSRUSA-N -1 3 414.538 5.362 40 30 HKEBHM