smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C[C@@H]3O2)n1 ZINC001164656688 719297647 /nfs/dbraw/zinc/29/76/47/719297647.db2.gz XUGOFKYNUGHJFO-XDTLVQLUSA-N 0 0 430.242 3.853 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)c4cccc(Cl)n4)C3)C2)n1 ZINC001164664899 719357540 /nfs/dbraw/zinc/35/75/40/719357540.db2.gz RSLYOFVMCGNAHU-HXUWFJFHSA-N 0 0 433.890 3.670 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cccnc4Cl)C3)C2)n1 ZINC001164664900 719357675 /nfs/dbraw/zinc/35/76/75/719357675.db2.gz RWIZRMGGQMYPTF-FQEVSTJZSA-N 0 0 433.890 3.670 20 30 IHEDRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164664184 719359999 /nfs/dbraw/zinc/35/99/99/719359999.db2.gz LQZROVNCWYJSOQ-UHFFFAOYSA-N 0 0 439.919 3.695 20 30 IHEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc(Cl)nc1C(=O)OC)[C@H]2CC ZINC001164698522 719822239 /nfs/dbraw/zinc/82/22/39/719822239.db2.gz DINRKXLSESRCIY-MGPUTAFESA-N 0 0 441.906 3.993 20 30 IHEDRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2nc(Cl)ccc2C#N)cs1 ZINC001164818237 720254805 /nfs/dbraw/zinc/25/48/05/720254805.db2.gz XKYOKMDLYDNILJ-CABCVRRESA-N 0 0 437.903 3.686 20 30 IHEDRN Cc1nc(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)cc2C#N)cs1 ZINC001164815105 720255827 /nfs/dbraw/zinc/25/58/27/720255827.db2.gz AJTXJCRXKDPSED-CVEARBPZSA-N 0 0 437.903 3.686 20 30 IHEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164826869 720389591 /nfs/dbraw/zinc/38/95/91/720389591.db2.gz XZYTVVAUQRJHGR-IIDMSEBBSA-N 0 0 440.903 3.870 20 30 IHEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164826867 720389872 /nfs/dbraw/zinc/38/98/72/720389872.db2.gz XZYTVVAUQRJHGR-HDMKZQKVSA-N 0 0 440.903 3.870 20 30 IHEDRN N#Cc1c(Cl)nc(C(F)(F)N2CC[C@H](O)[C@@H]2Cc2ccccc2)nc1C(F)(F)F ZINC001164831834 720495433 /nfs/dbraw/zinc/49/54/33/720495433.db2.gz HEXFXJJJRREMBF-STQMWFEESA-N 0 0 432.780 3.748 20 30 IHEDRN COc1cc(C(F)(F)N2CC[C@@H]3[C@@H]2CCC(=O)N3c2ccccc2)c(C#N)c(Cl)n1 ZINC001164849949 720765839 /nfs/dbraw/zinc/76/58/39/720765839.db2.gz VADGWOMOYLRUCQ-DLBZAZTESA-N 0 0 432.858 3.934 20 30 IHEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164849420 720770879 /nfs/dbraw/zinc/77/08/79/720770879.db2.gz SGJZYUXAYXWTQW-LZQZEXGQSA-N 0 0 434.874 3.890 20 30 IHEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2O[C@H](COCc3ccccn3)CC[C@H]21 ZINC001164845976 720774089 /nfs/dbraw/zinc/77/40/89/720774089.db2.gz HABFCAGATVPDEO-UHOSZYNNSA-N 0 0 434.874 3.890 20 30 IHEDRN N#Cc1ccc(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)nc1Cl ZINC001164860135 720897282 /nfs/dbraw/zinc/89/72/82/720897282.db2.gz STRBNHKJONWDFG-DYESRHJHSA-N 0 0 446.885 3.709 20 30 IHEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164855194 720897838 /nfs/dbraw/zinc/89/78/38/720897838.db2.gz AQZQXNJXJVMHSY-KKSFZXQISA-N 0 0 446.885 3.709 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767688 721027822 /nfs/dbraw/zinc/02/78/22/721027822.db2.gz SIIVZDNHAQELIT-UZLBHIALSA-N 0 0 434.874 3.891 20 30 IHEDRN N#Cc1cc(C(F)(F)N2CCC[C@@]3(C[C@@H](OCc4ccccn4)CO3)C2)cc(Cl)n1 ZINC001164760847 721028715 /nfs/dbraw/zinc/02/87/15/721028715.db2.gz DUPMEMLGSMEZBO-UYAOXDASSA-N 0 0 434.874 3.891 20 30 IHEDRN CCN1CC[C@]2(CN(C(F)(F)c3cc(-c4ccc(C#N)cc4)nnc3Cl)C[C@H]2C)C1=O ZINC001164779012 721323141 /nfs/dbraw/zinc/32/31/41/721323141.db2.gz TUXMFODNZWYFEA-SPLOXXLWSA-N 0 0 445.901 3.908 20 30 IHEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001164776365 721326384 /nfs/dbraw/zinc/32/63/84/721326384.db2.gz DYNUHOQRJJGKTO-CQSZACIVSA-N 0 0 438.837 3.893 20 30 IHEDRN Cn1cnc2c1[C@@H](COCc1cccnc1)N(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164780505 721441440 /nfs/dbraw/zinc/44/14/40/721441440.db2.gz BZDJNNFZAXOYJB-QGZVFWFLSA-N 0 0 444.873 3.601 20 30 IHEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164895104 721475280 /nfs/dbraw/zinc/47/52/80/721475280.db2.gz QYDSVIWTXKUSKL-HXUWFJFHSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001164899545 721485354 /nfs/dbraw/zinc/48/53/54/721485354.db2.gz ZJOLRNGBVGPVOK-GFCCVEGCSA-N 0 0 438.269 3.535 20 30 IHEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1Cc2nccn2C[C@H](Cn2cccn2)C1 ZINC001164899553 721485414 /nfs/dbraw/zinc/48/54/14/721485414.db2.gz ZJOLRNGBVGPVOK-LBPRGKRZSA-N 0 0 438.269 3.535 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001164919568 721809789 /nfs/dbraw/zinc/80/97/89/721809789.db2.gz ZLKMOOVVNLVGAL-HNJNHCNJSA-N 0 0 440.903 3.809 20 30 IHEDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]12 ZINC001164947477 721966310 /nfs/dbraw/zinc/96/63/10/721966310.db2.gz QUVJEESQZMENNR-WIYYLYMNSA-N 0 0 430.886 3.920 20 30 IHEDRN CC(C)CNC(=O)c1nc2c(s1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164965890 722066342 /nfs/dbraw/zinc/06/63/42/722066342.db2.gz QYHQRKFXOSVTRR-UHFFFAOYSA-N 0 0 439.919 3.599 20 30 IHEDRN C=CCOC[C@@H]1CCC[C@]12CN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)CCO2 ZINC001164973460 722169041 /nfs/dbraw/zinc/16/90/41/722169041.db2.gz BKZYQLHOEWKJAF-LIRRHRJNSA-N 0 0 430.879 3.645 20 30 IHEDRN C=CCOC[C@@H]1CCC[C@]12CN([C@@](F)(COc1cncc(Cl)n1)C(F)F)CCO2 ZINC001164976904 722169503 /nfs/dbraw/zinc/16/95/03/722169503.db2.gz KPUKIPQOSWSVFU-JVPBZIDWSA-N 0 0 435.874 3.513 20 30 IHEDRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C#C[Si](C)(C)C)ccn4)CC[C@@H]32)cs1 ZINC001164989608 722186406 /nfs/dbraw/zinc/18/64/06/722186406.db2.gz PFYYLWOSDDVXBM-VXKWHMMOSA-N 0 0 440.689 3.945 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001164996871 722219605 /nfs/dbraw/zinc/21/96/05/722219605.db2.gz BDPFMSGBEJPUOS-FQEVSTJZSA-N 0 0 446.841 3.514 20 30 IHEDRN N#Cc1cc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)cc(Cl)n1 ZINC001164999935 722219673 /nfs/dbraw/zinc/21/96/73/722219673.db2.gz UHDXQHVQWZTUAC-HXUWFJFHSA-N 0 0 446.841 3.514 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)nc4)C3)C2)c1 ZINC001165003211 722258323 /nfs/dbraw/zinc/25/83/23/722258323.db2.gz DJLHDQDNFAWNHV-FQEVSTJZSA-N 0 0 433.890 3.670 20 30 IHEDRN C=CCOc1c(Br)cc(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1OC ZINC000426647170 1126081155 /nfs/dbraw/zinc/08/11/55/1126081155.db2.gz NYHIMGHOWMLJPH-KRWDZBQOSA-N 0 0 436.302 3.514 20 30 IHEDRN COc1ccc(C[NH2+][C@@H](Cc2c[nH]c3cccc(Br)c23)C(=O)[O-])cc1C#N ZINC000756386564 1126108667 /nfs/dbraw/zinc/10/86/67/1126108667.db2.gz VHGOZXHDNDQHFE-KRWDZBQOSA-N 0 0 428.286 3.596 20 30 IHEDRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164658967 719351232 /nfs/dbraw/zinc/35/12/32/719351232.db2.gz NPHDTOAFHGRRBF-UHFFFAOYSA-N 0 0 428.540 3.657 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@]3(CCCN(C(F)(F)Oc4cccnc4Cl)C3)C2)n1 ZINC001164664562 719358117 /nfs/dbraw/zinc/35/81/17/719358117.db2.gz OGYMXJMLEXGPAY-HXUWFJFHSA-N 0 0 449.889 3.550 20 30 IHEDRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164664508 719359579 /nfs/dbraw/zinc/35/95/79/719359579.db2.gz NQTAJMOMACLQFM-UHFFFAOYSA-N 0 0 439.919 3.695 20 30 IHEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2[C@H]1CC(=O)N2Cc1cccnc1 ZINC001164691732 719762371 /nfs/dbraw/zinc/76/23/71/719762371.db2.gz QMZLWLYMJRRYFB-LSDHHAIUSA-N 0 0 438.265 3.580 20 30 IHEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1ccc(C(=O)OC)nc1Cl)[C@@H]2CC ZINC001164701087 719822288 /nfs/dbraw/zinc/82/22/88/719822288.db2.gz OAAWNNRMOIYQHV-OXQOHEQNSA-N 0 0 441.906 3.993 20 30 IHEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1cc(Cl)ncc1C(=O)OC)[C@H]2CC ZINC001164702053 719823471 /nfs/dbraw/zinc/82/34/71/719823471.db2.gz QNNPJFYEWMKQAO-OXJNMPFZSA-N 0 0 441.906 3.993 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001164696246 719836086 /nfs/dbraw/zinc/83/60/86/719836086.db2.gz QYOVMNIQOAIXHO-UHFFFAOYSA-N 0 0 432.858 3.554 20 30 IHEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)[C@H]3CCCO[C@@H]23)cs1 ZINC001164824434 720386937 /nfs/dbraw/zinc/38/69/37/720386937.db2.gz RRGSEBUMUSTADU-ZMSDIMECSA-N 0 0 440.903 3.870 20 30 IHEDRN Cc1nc(CO[C@@H]2CN(C(F)(F)c3nc(Cl)ccc3C#N)[C@@H]3CCCO[C@@H]23)cs1 ZINC001164825176 720390038 /nfs/dbraw/zinc/39/00/38/720390038.db2.gz ULDQKBUBMAWFQQ-BFYDXBDKSA-N 0 0 440.903 3.870 20 30 IHEDRN N#Cc1cc(C(F)(F)N2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860096 720898981 /nfs/dbraw/zinc/89/89/81/720898981.db2.gz SGYITMZQYQAZTI-DYESRHJHSA-N 0 0 446.885 3.709 20 30 IHEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164776187 721326497 /nfs/dbraw/zinc/32/64/97/721326497.db2.gz DEDLMOIEGNEVSR-AWEZNQCLSA-N 0 0 438.837 3.893 20 30 IHEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001164874046 721328933 /nfs/dbraw/zinc/32/89/33/721328933.db2.gz FZGSPSXGIVHLCD-UHFFFAOYSA-N 0 0 437.903 3.741 20 30 IHEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)c1 ZINC001164891126 721475263 /nfs/dbraw/zinc/47/52/63/721475263.db2.gz BAQOCCCFZYSELG-FQEVSTJZSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896052 721475284 /nfs/dbraw/zinc/47/52/84/721475284.db2.gz UNDROALKFQJNKP-HXUWFJFHSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC2(CCC(=O)N2Cc2ccncc2)CC1 ZINC001164898251 721506028 /nfs/dbraw/zinc/50/60/28/721506028.db2.gz PXWJJOYZTSERSK-UHFFFAOYSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](OCC4CC4)[C@H]4COC[C@H]43)c(Cl)nn2)cc1 ZINC001165014593 721764943 /nfs/dbraw/zinc/76/49/43/721764943.db2.gz GZECZSVCESPGBP-DBVUQKKJSA-N 0 0 446.885 3.844 20 30 IHEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC001164916525 721802657 /nfs/dbraw/zinc/80/26/57/721802657.db2.gz PYKNTCNYNYBHDQ-QGZVFWFLSA-N 0 0 440.832 3.684 20 30 IHEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164917650 721809032 /nfs/dbraw/zinc/80/90/32/721809032.db2.gz OFVUQFQZRDDLOQ-SRCQZFHVSA-N 0 0 440.903 3.809 20 30 IHEDRN N#Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)cnc1Cl ZINC001164917219 721810060 /nfs/dbraw/zinc/81/00/60/721810060.db2.gz LIMHJJYLRMFLAP-YLQAJVPDSA-N 0 0 440.903 3.809 20 30 IHEDRN CN(Cc1ccc(C#N)cc1)c1nc(CN2CCOCC2)nc2sc3c(c21)CCCC3 ZINC000030523234 721837076 /nfs/dbraw/zinc/83/70/76/721837076.db2.gz IKRJAPCTNMCOOE-UHFFFAOYSA-N 0 0 433.581 3.910 20 30 IHEDRN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]12 ZINC001164942362 721965092 /nfs/dbraw/zinc/96/50/92/721965092.db2.gz BHNUUSSAHIYFDA-PZJWPPBQSA-N 0 0 430.886 3.920 20 30 IHEDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc(Cl)nc3C#N)C[C@@H]12 ZINC001164947221 721965805 /nfs/dbraw/zinc/96/58/05/721965805.db2.gz QHKPTJZXLHEEFS-CTNGQTDRSA-N 0 0 430.886 3.920 20 30 IHEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1cnc(Cl)c(C(=O)OC)c1)CCO2 ZINC001164973784 722167691 /nfs/dbraw/zinc/16/76/91/722167691.db2.gz DBBQAIXFQMPDQW-KUHUBIRLSA-N 0 0 430.879 3.645 20 30 IHEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CCO2 ZINC001164973144 722169733 /nfs/dbraw/zinc/16/97/33/722169733.db2.gz ABPJIHIHRZIZJH-HNAYVOBHSA-N 0 0 440.878 3.908 20 30 IHEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 ZINC001164998347 722220132 /nfs/dbraw/zinc/22/01/32/722220132.db2.gz ISDQNOYPMKYYIT-FQEVSTJZSA-N 0 0 446.841 3.514 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cc(N)cc(Cl)n4)C3)C2)c1 ZINC001165003736 722258684 /nfs/dbraw/zinc/25/86/84/722258684.db2.gz KCYGHWNXBVOVQW-NRFANRHFSA-N 0 0 447.917 3.857 20 30 IHEDRN Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c(C#N)c2)cs1 ZINC001164816560 720254239 /nfs/dbraw/zinc/25/42/39/720254239.db2.gz KJSHCNMUVWWPID-JKSUJKDBSA-N 0 0 437.903 3.686 20 30 IHEDRN N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)cnc1Cl ZINC001164858715 720899624 /nfs/dbraw/zinc/89/96/24/720899624.db2.gz NRCXCDVDGWOVCE-NQIIRXRSSA-N 0 0 446.885 3.709 20 30 IHEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001164757372 721026428 /nfs/dbraw/zinc/02/64/28/721026428.db2.gz DQHQKJQFLRQGNQ-OXJNMPFZSA-N 0 0 434.874 3.891 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC001164767685 721027981 /nfs/dbraw/zinc/02/79/81/721027981.db2.gz SIIVZDNHAQELIT-OXQOHEQNSA-N 0 0 434.874 3.891 20 30 IHEDRN COc1cc(C(F)(F)N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)c(C#N)c(Cl)n1 ZINC001164875350 721317975 /nfs/dbraw/zinc/31/79/75/721317975.db2.gz FAOZGEWTUWSTQT-QGZVFWFLSA-N 0 0 446.885 3.660 20 30 IHEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001164776703 721326340 /nfs/dbraw/zinc/32/63/40/721326340.db2.gz HVAPVDPQLQQXGN-AWEZNQCLSA-N 0 0 438.837 3.893 20 30 IHEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)c1 ZINC001164776194 721326528 /nfs/dbraw/zinc/32/65/28/721326528.db2.gz DEDLMOIEGNEVSR-CQSZACIVSA-N 0 0 438.837 3.893 20 30 IHEDRN 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N#Cc1cc(C(F)(F)N2CC[C@@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)cc(Cl)n1 ZINC001164860102 720898985 /nfs/dbraw/zinc/89/89/85/720898985.db2.gz SGYITMZQYQAZTI-UWJYYQICSA-N 0 0 446.885 3.709 20 30 IHEDRN COc1cc(C(F)(F)N2CCn3c(COCC4CC4)cnc3[C@H]2C)c(C#N)c(Cl)n1 ZINC001164874857 721241673 /nfs/dbraw/zinc/24/16/73/721241673.db2.gz UKEPZQSTCLLJHI-GFCCVEGCSA-N 0 0 437.878 3.864 20 30 IHEDRN COCCN1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)Cc2cccnc21 ZINC001164884495 721368259 /nfs/dbraw/zinc/36/82/59/721368259.db2.gz UVKAWTJAZGXACS-UHFFFAOYSA-N 0 0 428.270 3.673 20 30 IHEDRN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(CC#N)cc3Cl)C2)C1 ZINC001164783790 721372575 /nfs/dbraw/zinc/37/25/75/721372575.db2.gz PLKIUPQFVCWVIS-JOCHJYFZSA-N 0 0 429.952 3.525 20 30 IHEDRN Cn1cnc2c1[C@H](COCc1cccnc1)N(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164784408 721441510 /nfs/dbraw/zinc/44/15/10/721441510.db2.gz PQCCKFHPMOPSKC-SFHVURJKSA-N 0 0 444.873 3.601 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001164919566 721809726 /nfs/dbraw/zinc/80/97/26/721809726.db2.gz ZLKMOOVVNLVGAL-CDHAZOANSA-N 0 0 440.903 3.809 20 30 IHEDRN N#Cc1cccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)c(Cl)nn2)c1 ZINC001165043343 721926390 /nfs/dbraw/zinc/92/63/90/721926390.db2.gz JONDZPNIOMHLAW-KRWDZBQOSA-N 0 0 433.890 3.515 20 30 IHEDRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)C[C@H]21 ZINC001164944672 721964000 /nfs/dbraw/zinc/96/40/00/721964000.db2.gz IXUCWKFSSBVJIC-UXHICEINSA-N 0 0 441.894 3.593 20 30 IHEDRN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@H]2CC(C(=O)NC3CCC3)C[C@@H]2C1 ZINC001164970333 722084601 /nfs/dbraw/zinc/08/46/01/722084601.db2.gz WQCKALVWAVDKAU-VXGBXAGGSA-N 0 0 429.298 3.936 20 30 IHEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1nc(Cl)cc(N3CCCC3)n1)CCO2 ZINC001164979683 722167438 /nfs/dbraw/zinc/16/74/38/722167438.db2.gz VQFPPSFVKPHMIF-OXJNMPFZSA-N 0 0 442.938 3.853 20 30 IHEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)CCO2 ZINC001164979139 722167844 /nfs/dbraw/zinc/16/78/44/722167844.db2.gz 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ZINC001164818238 720254753 /nfs/dbraw/zinc/25/47/53/720254753.db2.gz XKYOKMDLYDNILJ-GJZGRUSLSA-N 0 0 437.903 3.686 20 30 IHEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H](O)[C@H]1Cc1ccccc1 ZINC001164832775 720489615 /nfs/dbraw/zinc/48/96/15/720489615.db2.gz KTWCPICFUIEOJI-SJORKVTESA-N 0 0 435.858 3.511 20 30 IHEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CCCC(=O)N4)CC3)c(Cl)nn2)cc1 ZINC001164838637 720734519 /nfs/dbraw/zinc/73/45/19/720734519.db2.gz UVLGPQWDAUWVIP-UHFFFAOYSA-N 0 0 431.874 3.853 20 30 IHEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@H]2O[C@@H](COCc3ccccn3)CC[C@H]21 ZINC001164844486 720775132 /nfs/dbraw/zinc/77/51/32/720775132.db2.gz CCDUUIBEMPRLSQ-QRQLOZEOSA-N 0 0 434.874 3.890 20 30 IHEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCOC[C@@H]1c1csc(C)n1 ZINC001164750199 720864142 /nfs/dbraw/zinc/86/41/42/720864142.db2.gz OPPVXQSVTUPRBO-CQSZACIVSA-N 0 0 442.875 3.671 20 30 IHEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CC[C@@]2(C1)C[C@@H](NC(=O)c1ccccc1)CCO2 ZINC001164861383 720898462 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ZINC001164894005 721474333 /nfs/dbraw/zinc/47/43/33/721474333.db2.gz MDINTTYOHXYDKL-HXUWFJFHSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1ccc(C(F)(F)N2CCCC[C@@]23CC(=O)N(Cc2cccnc2)C3)nc1Cl ZINC001164891533 721474679 /nfs/dbraw/zinc/47/46/79/721474679.db2.gz COSOYJPJDZIBNR-FQEVSTJZSA-N 0 0 431.874 3.708 20 30 IHEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCCC[C@@]12CC(=O)N(Cc1cccnc1)C2 ZINC001164896050 721475425 /nfs/dbraw/zinc/47/54/25/721475425.db2.gz UNDROALKFQJNKP-FQEVSTJZSA-N 0 0 431.874 3.708 20 30 IHEDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@H]12 ZINC001164942530 721966571 /nfs/dbraw/zinc/96/65/71/721966571.db2.gz CQPCUWWNJAELRS-FPOVZHCZSA-N 0 0 430.886 3.920 20 30 IHEDRN N#Cc1ccc(-c2cccs2)nc1N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001164948127 721979099 /nfs/dbraw/zinc/97/90/99/721979099.db2.gz JKEOMYUTVQPBOW-UHFFFAOYSA-N 0 0 443.576 3.653 20 30 IHEDRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3ccc(C#N)c(Cl)n3)C[C@H]21 ZINC001164984429 722096972 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N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001164918932 721810167 /nfs/dbraw/zinc/81/01/67/721810167.db2.gz VAZLJCGMXVIQDB-WBHUJUFNSA-N 0 0 440.903 3.809 20 30 IHEDRN Cc1cnc2n1CCN(C)C21CCN(c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164919715 721821879 /nfs/dbraw/zinc/82/18/79/721821879.db2.gz ULHPAZWUDYPODF-UHFFFAOYSA-N 0 0 449.946 3.740 20 30 IHEDRN N#Cc1ccc(-c2cc(C(F)(F)N3CCN(C[C@@H]4CCCO4)CC3)c(Cl)nn2)cc1 ZINC001165043306 721926420 /nfs/dbraw/zinc/92/64/20/721926420.db2.gz IPCMTYGRZUCXPT-KRWDZBQOSA-N 0 0 433.890 3.515 20 30 IHEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccc(C)cc4c(Cl)c3C#N)C[C@H]21 ZINC001164949462 721964876 /nfs/dbraw/zinc/96/48/76/721964876.db2.gz YBZGTQABMKDNLQ-NHCUHLMSSA-N 0 0 437.931 3.763 20 30 IHEDRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3nc(Cl)ccc3C#N)C[C@@H]12 ZINC001164947470 721966342 /nfs/dbraw/zinc/96/63/42/721966342.db2.gz QUVJEESQZMENNR-NQIIRXRSSA-N 0 0 430.886 3.920 20 30 IHEDRN N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H]4CN(CC5CC5)C[C@@H](C3)O4)c(Cl)nn2)cc1 ZINC001164968188 722077730 /nfs/dbraw/zinc/07/77/30/722077730.db2.gz VHHFHNLULLOMSM-HDICACEKSA-N 0 0 445.901 3.513 20 30 IHEDRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3cc(C#N)cc(Cl)n3)C[C@@H]21 ZINC001164981422 722097704 /nfs/dbraw/zinc/09/77/04/722097704.db2.gz LLTNSQRAPIIZDX-TXPKVOOTSA-N 0 0 431.874 3.697 20 30 IHEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cnc(Cl)cc1C(=O)OC)CCO2 ZINC001164979143 722167838 /nfs/dbraw/zinc/16/78/38/722167838.db2.gz UKQTYOWRMRJDFU-IFXJQAMLSA-N 0 0 430.879 3.645 20 30 IHEDRN C=CCOC[C@H]1CCC[C@@]12CN(C(F)(F)c1nc(-c3ccc(Cl)nc3)no1)CCO2 ZINC001164973141 722169793 /nfs/dbraw/zinc/16/97/93/722169793.db2.gz ABPJIHIHRZIZJH-DNVCBOLYSA-N 0 0 440.878 3.908 20 30 IHEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)cc(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164992548 722186396 /nfs/dbraw/zinc/18/63/96/722186396.db2.gz XCTADAHMWYPIEA-IAGOWNOFSA-N 0 0 438.384 3.895 20 30 IHEDRN N#Cc1ccc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)nc1Cl ZINC001165000775 722219499 /nfs/dbraw/zinc/21/94/99/722219499.db2.gz YQUKNFXFKOGBJI-HXUWFJFHSA-N 0 0 446.841 3.514 20 30 IHEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)c4cnc(Cl)cn4)C3)C2)c1 ZINC001165003450 722258527 /nfs/dbraw/zinc/25/85/27/722258527.db2.gz GKUQNEDZGMHMOR-FQEVSTJZSA-N 0 0 433.890 3.670 20 30 IHEDRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(C#N)c3cc(Cl)ccc3n1)C2 ZINC001165005754 722270113 /nfs/dbraw/zinc/27/01/13/722270113.db2.gz JUZHNUAGCYBESL-DEOSSOPVSA-N 0 0 449.917 3.826 20 30 IHEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@H](Cc3ccc4c(c3)OCO4)C(=O)[O-])c2)c1 ZINC000426782743 1126090303 /nfs/dbraw/zinc/09/03/03/1126090303.db2.gz HTEFNSIYANXUPX-JOCHJYFZSA-N 0 0 430.460 3.651 20 30 IHEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C(=O)[O-])c2)c1 ZINC000426810039 1126091695 /nfs/dbraw/zinc/09/16/95/1126091695.db2.gz XQBDRSZRNNICIQ-QFIPXVFZSA-N 0 0 431.448 3.831 20 30 IHEDRN