smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1 ZINC000000883014 560540067 /nfs/dbraw/zinc/54/00/67/560540067.db2.gz AGPLEHHSHUXJNN-UHFFFAOYSA-N 0 1 402.951 5.102 40 10 HKCBMN Cc1csc(-c2cc3ccc([O-])c(C[N@H+]4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c3oc2=O)n1 ZINC000001095647 557178152 /nfs/dbraw/zinc/17/81/52/557178152.db2.gz CXKGWHPDVPYYKH-FYSMJZIKSA-N 0 1 424.566 5.331 40 10 HKCBMN CC(C)=CCc1c(O)c2c(=O)c(-c3ccc(O)c(O)c3)coc2c2c1OC(C)(C)CC2 ZINC000001583706 569074146 /nfs/dbraw/zinc/07/41/46/569074146.db2.gz AFXRALVWINXBHQ-UHFFFAOYSA-N 0 1 422.477 5.189 40 10 HKCBMN [O-]c1ccc2ccccc2c1C[N@@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1 ZINC000001679504 557280197 /nfs/dbraw/zinc/28/01/97/557280197.db2.gz WEUJGAHGBPEZIT-UHFFFAOYSA-N 0 1 411.545 6.739 40 10 in-vitro HKCBMN [O-]c1ccc2ccccc2c1C[N@H+](Cc1c(O)ccc2ccccc21)C1CCCCC1 ZINC000001679504 557280198 /nfs/dbraw/zinc/28/01/98/557280198.db2.gz WEUJGAHGBPEZIT-UHFFFAOYSA-N 0 1 411.545 6.739 40 10 in-vitro HKCBMN Cc1cc(Cl)c([O-])c(C[N@@H+](Cc2cc(C)cc(Cl)c2O)C2CCCCC2)c1 ZINC000001681096 557280387 /nfs/dbraw/zinc/28/03/87/557280387.db2.gz PEQZDZSTBPUOHB-UHFFFAOYSA-N 0 1 408.369 6.356 40 10 HKCBMN Cc1cc(Cl)c([O-])c(C[N@H+](Cc2cc(C)cc(Cl)c2O)C2CCCCC2)c1 ZINC000001681096 557280393 /nfs/dbraw/zinc/28/03/93/557280393.db2.gz PEQZDZSTBPUOHB-UHFFFAOYSA-N 0 1 408.369 6.356 40 10 HKCBMN O=[N+]([O-])c1ccc([O-])c(C[N@H+](Cc2ccccc2)Cc2c(O)ccc3ccccc32)c1 ZINC000001686485 557280833 /nfs/dbraw/zinc/28/08/33/557280833.db2.gz QWDBURTULXBASO-UHFFFAOYSA-N 0 1 414.461 5.362 40 10 HKCBMN Cc1c2c(cc3c1CCN=C3c1ccc(Cl)cc1)c1ccccc1n2C[C@H]1CO1 ZINC000001729133 557283282 /nfs/dbraw/zinc/28/32/82/557283282.db2.gz CALLVHDAMPYWCK-SFHVURJKSA-N 0 1 400.909 5.549 40 10 HKCBMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1C1CCCCC1 ZINC000002285093 132251404 /nfs/dbraw/zinc/25/14/04/132251404.db2.gz JUTAAMKKSYKGBX-KGENOOAVSA-N 0 1 421.566 5.590 40 10 HKCBMN COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1 ZINC000004366520 557547588 /nfs/dbraw/zinc/54/75/88/557547588.db2.gz MIOFGYQKSYDPBN-UHFFFAOYSA-N 0 1 406.913 6.931 40 10 HKCBMN COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(OC)cc4cccnc43)c2c1 ZINC000004522404 557563350 /nfs/dbraw/zinc/56/33/50/557563350.db2.gz XZHCLCKXRJSPJS-UHFFFAOYSA-N 0 1 415.880 6.350 40 10 HKCBMN CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc([O-])c(C[NH+]3CCCCC3)c21 ZINC000004622703 557573568 /nfs/dbraw/zinc/57/35/68/557573568.db2.gz VXYNUZLGAZMRFC-UHFFFAOYSA-N 0 1 406.526 5.116 40 10 HKCBMN COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(N(C)C)cc2)[nH]c1-c1ccccc1 ZINC000004954582 560617285 /nfs/dbraw/zinc/61/72/85/560617285.db2.gz ARBAMTYDGDKGNI-UHFFFAOYSA-N 0 1 414.465 5.394 40 10 HKCBMN Cc1c2c(cc3c1CCN=C3c1ccc(Cl)cc1)c1ccccc1n2C[C@@H]1CO1 ZINC000005103603 557636664 /nfs/dbraw/zinc/63/66/64/557636664.db2.gz CALLVHDAMPYWCK-GOSISDBHSA-N 0 1 400.909 5.549 40 10 HKCBMN Cc1oc2ccc([O-])c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NC1CCCC1 ZINC000005182760 569323394 /nfs/dbraw/zinc/32/33/94/569323394.db2.gz MGIYBGODLWDRRL-QYBDOPJKSA-N 0 1 424.585 5.520 40 10 HKCBMN Cc1oc2ccc([O-])c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2c1C(=O)NC1CCCC1 ZINC000005182760 569323396 /nfs/dbraw/zinc/32/33/96/569323396.db2.gz MGIYBGODLWDRRL-QYBDOPJKSA-N 0 1 424.585 5.520 40 10 HKCBMN CCn1c2ccccc2c2cc(NN=C3C=C(CN(C)C)C(=O)c4ncccc43)ccc21 ZINC000005464857 557655441 /nfs/dbraw/zinc/65/54/41/557655441.db2.gz WXNHXZXYKKIGFS-ZQHSETAFSA-N 0 1 423.520 6.545 40 10 HKCBMN CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000005502586 557658586 /nfs/dbraw/zinc/65/85/86/557658586.db2.gz QIURFMPQSWEFHB-HMAPJEAMSA-N 0 1 416.912 5.210 40 10 HKCBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)C1=O ZINC000005947704 560739135 /nfs/dbraw/zinc/73/91/35/560739135.db2.gz NLCFKUADTXCMFB-PXLXIMEGSA-N 0 1 419.525 5.464 40 10 HKCBMN CCN1C(=O)NC(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C1=O ZINC000005947743 560739165 /nfs/dbraw/zinc/73/91/65/560739165.db2.gz QGPUWXDGOJVJAC-HYARGMPZSA-N 0 1 423.472 5.165 40 10 HKCBMN CN(C)c1ccc(-c2nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3[nH]2)cc1 ZINC000006693948 557715476 /nfs/dbraw/zinc/71/54/76/557715476.db2.gz NIFCURPNTWPXTC-UHFFFAOYSA-N 0 1 414.553 5.451 40 10 HKCBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000014291512 560841072 /nfs/dbraw/zinc/84/10/72/560841072.db2.gz MEVOHWWBOLUEFJ-UHFFFAOYSA-N 0 1 420.317 5.166 40 10 HKCBMN CN(C)c1ccc(C=C(NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000016957412 558810221 /nfs/dbraw/zinc/81/02/21/558810221.db2.gz QIURFMPQSWEFHB-HYARGMPZSA-N 0 1 416.912 5.210 40 10 HKCBMN CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017083275 560862380 /nfs/dbraw/zinc/86/23/80/560862380.db2.gz YJFKGDQWJCPQHG-QNGOZBTKSA-N 0 1 405.860 5.616 40 10 HKCBMN CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 ZINC000017093712 560868313 /nfs/dbraw/zinc/86/83/13/560868313.db2.gz SXHGOQBLIGQWRB-STZFKDTASA-N 0 1 423.850 5.755 40 10 HKCBMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000019831020 569430856 /nfs/dbraw/zinc/43/08/56/569430856.db2.gz RHPWFSMGWWBNSF-PUTJDCORSA-N 0 1 411.672 6.087 40 10 HKCBMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000019831021 569430891 /nfs/dbraw/zinc/43/08/91/569430891.db2.gz RHPWFSMGWWBNSF-IEVXNVSRSA-N 0 1 411.672 6.087 40 10 HKCBMN [O-]c1c([C@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000020192753 558756214 /nfs/dbraw/zinc/75/62/14/558756214.db2.gz ULORUORGDZBJQX-AREMUKBSSA-N 0 1 409.533 5.380 40 10 HKCBMN [O-]c1c([C@@H](c2ccccn2)[NH+]2CCC(Cc3ccccc3)CC2)ccc2cccnc21 ZINC000020192756 558756178 /nfs/dbraw/zinc/75/61/78/558756178.db2.gz ULORUORGDZBJQX-SANMLTNESA-N 0 1 409.533 5.380 40 10 HKCBMN CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000022259242 558474885 /nfs/dbraw/zinc/47/48/85/558474885.db2.gz TZGNCCARRSXJIY-UHFFFAOYSA-N 0 1 413.926 5.495 40 10 HKCBMN C[N@@H+](Cc1c[nH]c2ccccc12)Cc1cc(Br)cc(Br)c1[O-] ZINC000031666708 558751962 /nfs/dbraw/zinc/75/19/62/558751962.db2.gz CYZVKNLQWCNKFE-UHFFFAOYSA-N 0 1 424.136 5.031 40 10 HKCBMN COc1ccc2ccccc2c1C=C1C(=O)NC(=S)N(c2cc(C)cc(C)c2)C1=O ZINC000032109699 525651166 /nfs/dbraw/zinc/65/11/66/525651166.db2.gz YLISTCGSZOSQOE-MOSHPQCFSA-N 0 1 416.502 5.137 40 10 HKCBMN CN1C(=O)/C(=C\c2ccc(/N=N/c3cccc(C(F)(F)F)c3)cc2O)SC1=S ZINC000033386878 569360218 /nfs/dbraw/zinc/36/02/18/569360218.db2.gz SJGCYHLCDRUGNR-AUUQIBHGSA-N 0 1 423.441 5.657 40 10 HKCBMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033660522 568516236 /nfs/dbraw/zinc/51/62/36/568516236.db2.gz RHPWFSMGWWBNSF-YNHOBRIKSA-N 0 1 411.672 6.087 40 10 HKCBMN O=[N+]([O-])c1c(Cl)cc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000033660523 568516260 /nfs/dbraw/zinc/51/62/60/568516260.db2.gz RHPWFSMGWWBNSF-XQJJYNOISA-N 0 1 411.672 6.087 40 10 HKCBMN FC(F)(F)c1n[nH]c(-c2ccc(-n3cccc3)cc2)c1C12CC3CC(CC(C3)C1)C2 ZINC000036620406 558741588 /nfs/dbraw/zinc/74/15/88/558741588.db2.gz FEQXSAMXQYOSQA-UHFFFAOYSA-N 0 1 411.471 6.354 40 10 HKCBMN CC(C)(C)c1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc(C(C)(C)C)c1O ZINC000038188257 569360741 /nfs/dbraw/zinc/36/07/41/569360741.db2.gz MNFLNQIZAHKRBP-MHWRWJLKSA-N 0 1 424.497 5.083 40 10 HKCBMN O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CN1CCCCCC1 ZINC000049946876 569038854 /nfs/dbraw/zinc/03/88/54/569038854.db2.gz ICKNZMQOKFNKBU-DHDCSXOGSA-N 0 1 401.384 5.028 40 10 HKCBMN CCn1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000059087186 568700224 /nfs/dbraw/zinc/70/02/24/568700224.db2.gz UCIUTZVGEUCKJB-LICLKQGHSA-N 0 1 423.925 5.295 40 10 HKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000059109531 568703823 /nfs/dbraw/zinc/70/38/23/568703823.db2.gz ZIMSCBQQDZGFRM-HYARGMPZSA-N 0 1 419.525 5.346 40 10 HKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000059109533 568703937 /nfs/dbraw/zinc/70/39/37/568703937.db2.gz LVMLLAIXEARUEV-KGENOOAVSA-N 0 1 419.525 5.346 40 10 HKCBMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059109535 568703830 /nfs/dbraw/zinc/70/38/30/568703830.db2.gz LZWFCRYQHOAEQM-HYARGMPZSA-N 0 1 419.525 5.346 40 10 HKCBMN Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1 ZINC000059137758 568701299 /nfs/dbraw/zinc/70/12/99/568701299.db2.gz OFCLLFWPKLXFOW-XDHOZWIPSA-N 0 1 420.465 5.374 40 10 HKCBMN Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000059137767 568701489 /nfs/dbraw/zinc/70/14/89/568701489.db2.gz BQMRRRFSDMSIMS-LDADJPATSA-N 0 1 420.465 5.374 40 10 HKCBMN Cc1ccc(Sc2ccc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)o2)cc1 ZINC000059137816 568701516 /nfs/dbraw/zinc/70/15/16/568701516.db2.gz OCPSTDMQEQQLMF-QGOAFFKASA-N 0 1 420.515 5.411 40 10 HKCBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccccc2)cc1 ZINC000059139127 568701758 /nfs/dbraw/zinc/70/17/58/568701758.db2.gz PTZOGIBRYHRPLJ-NBVRZTHBSA-N 0 1 402.450 5.164 40 10 HKCBMN COc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3O)SC2=S)cc1 ZINC000059514307 568708612 /nfs/dbraw/zinc/70/86/12/568708612.db2.gz SATLAJCTBIHRNH-VGOFMYFVSA-N 0 1 412.319 5.113 40 10 HKCBMN O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1C1=CC=CCC1=S ZINC000071404977 558875992 /nfs/dbraw/zinc/87/59/92/558875992.db2.gz AFTYSFKSMTULJV-UHFFFAOYSA-N 0 1 415.297 6.186 40 10 HKCBMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3c(-c4ccccc4)cc(=O)oc31)C2 ZINC000085875599 558851457 /nfs/dbraw/zinc/85/14/57/558851457.db2.gz JMBKSMPFEYYJKB-QYBDOPJKSA-N 0 1 403.522 5.566 40 10 HKCBMN C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3c(-c4ccccc4)cc(=O)oc31)C2 ZINC000085875604 558851525 /nfs/dbraw/zinc/85/15/25/558851525.db2.gz JMBKSMPFEYYJKB-WXTAPIANSA-N 0 1 403.522 5.566 40 10 HKCBMN Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000096585814 568722035 /nfs/dbraw/zinc/72/20/35/568722035.db2.gz ZNSCSFQYSIOXEP-MTJSOVHGSA-N 0 1 421.884 5.347 40 10 HKCBMN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O ZINC000103917070 560734864 /nfs/dbraw/zinc/73/48/64/560734864.db2.gz WDRGUZWXCMHESF-YVLHZVERSA-N 0 1 417.321 5.712 40 10 HKCBMN CC(Nc1ccc(Cl)c(F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C ZINC000103917170 560734885 /nfs/dbraw/zinc/73/48/85/560734885.db2.gz BDTVQJIUVWRUQQ-YVLHZVERSA-N 0 1 400.866 5.197 40 10 HKCBMN CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103918790 560734744 /nfs/dbraw/zinc/73/47/44/560734744.db2.gz BSTZBNMZGMIECM-MOSHPQCFSA-N 0 1 418.324 5.891 40 10 HKCBMN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(Cl)cc(Cl)c1 ZINC000103918797 560734800 /nfs/dbraw/zinc/73/48/00/560734800.db2.gz SCJPNQAZIRMRQH-UNOMPAQXSA-N 0 1 406.288 6.021 40 10 HKCBMN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000103920913 560735156 /nfs/dbraw/zinc/73/51/56/560735156.db2.gz LKXQNULGLHINDV-QNGOZBTKSA-N 0 1 422.315 6.130 40 10 HKCBMN CCn1c2ccccc2c2cc(NN=C3C=C(CN(C)C)C(=O)c4ncccc43)ccc21 ZINC000104226098 559159192 /nfs/dbraw/zinc/15/91/92/559159192.db2.gz WXNHXZXYKKIGFS-ZIADKAODSA-N 0 1 423.520 6.545 40 10 HKCBMN CC(Nc1ccccc1Sc1ccccc1)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112286214 560777877 /nfs/dbraw/zinc/77/78/77/560777877.db2.gz YFDTXJKCFGTSPF-KQWNVCNZSA-N 0 1 417.509 6.086 40 10 HKCBMN CC1=NN(c2cccc(C)c2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534362 558475987 /nfs/dbraw/zinc/47/59/87/558475987.db2.gz QQFAEIVTERSOSV-GDNBJRDFSA-N 0 1 404.695 5.129 40 10 HKCBMN Cc1[nH]n(-c2cccc(C)c2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534362 558475988 /nfs/dbraw/zinc/47/59/88/558475988.db2.gz QQFAEIVTERSOSV-GDNBJRDFSA-N 0 1 404.695 5.129 40 10 HKCBMN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534479 558476105 /nfs/dbraw/zinc/47/61/05/558476105.db2.gz QYGPOXKPIOYFBG-GDNBJRDFSA-N 0 1 404.695 5.129 40 10 HKCBMN Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534479 558476106 /nfs/dbraw/zinc/47/61/06/558476106.db2.gz QYGPOXKPIOYFBG-GDNBJRDFSA-N 0 1 404.695 5.129 40 10 HKCBMN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1ccc(Br)cc1Cl ZINC000408534996 558476511 /nfs/dbraw/zinc/47/65/11/558476511.db2.gz XBKNQLZSJITGEO-GDNBJRDFSA-N 0 1 418.722 5.438 40 10 HKCBMN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Br)cc1Cl ZINC000408534996 558476513 /nfs/dbraw/zinc/47/65/13/558476513.db2.gz XBKNQLZSJITGEO-GDNBJRDFSA-N 0 1 418.722 5.438 40 10 HKCBMN Cc1nn(-c2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C)c(Cl)c2)c1=O ZINC000408536353 558477653 /nfs/dbraw/zinc/47/76/53/558477653.db2.gz WFSPLOZMSQRTLD-MOSHPQCFSA-N 0 1 419.916 5.169 40 10 HKCBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1ccc(F)cc1F ZINC000408537271 558482127 /nfs/dbraw/zinc/48/21/27/558482127.db2.gz ZTVWLTZTQAMJLJ-ZROIWOOFSA-N 0 1 420.257 5.063 40 10 HKCBMN CSc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408603778 557524562 /nfs/dbraw/zinc/52/45/62/557524562.db2.gz FYVZBIFZVLJPMY-UHFFFAOYSA-N 0 1 417.939 5.094 40 10 HKCBMN CC1=NN(c2ccccc2)C(=O)C1=Cc1ccc(Sc2nc3ccc(C)cc3[nH]2)o1 ZINC000408963042 558771061 /nfs/dbraw/zinc/77/10/61/558771061.db2.gz LUQPVUHBJROYJP-AQTBWJFISA-N 0 1 414.490 5.422 40 10 HKCBMN O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408963598 558772579 /nfs/dbraw/zinc/77/25/79/558772579.db2.gz HDTNMXDIJYBLIT-GHXNOFRVSA-N 0 1 401.171 5.048 40 10 HKCBMN O=C1/C(=C\c2cc(Cl)cc(Cl)c2O)C(c2ccccc2)=NN1c1ccccc1 ZINC000409080539 558928002 /nfs/dbraw/zinc/92/80/02/558928002.db2.gz IKXMVCSIDKYMOR-PDGQHHTCSA-N 0 1 409.272 5.534 40 10 HKCBMN