smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc(C(F)(F)N2CCO[C@H]3[C@H]2CC[C@@H]3OCc2ccncc2)cnc1Cl ZINC001164645330 719293235 /nfs/dbraw/zinc/29/32/35/719293235.db2.gz GJAKYYDQWWSXIQ-SQNIBIBYSA-N 0 0 420.847 3.500 20 30 HGEDRN N#Cc1cc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cnc1Cl ZINC001164645328 719293363 /nfs/dbraw/zinc/29/33/63/719293363.db2.gz GJAKYYDQWWSXIQ-KSZLIROESA-N 0 0 420.847 3.500 20 30 HGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645143 719293776 /nfs/dbraw/zinc/29/37/76/719293776.db2.gz CPJUTQZBUDYABM-AOIWGVFYSA-N 0 0 420.847 3.500 20 30 HGEDRN CSc1nc(Cl)c(C#N)c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1 ZINC001164647883 719306441 /nfs/dbraw/zinc/30/64/41/719306441.db2.gz OEGDRMOZUDLZTP-UHFFFAOYSA-N 0 0 405.959 3.125 20 30 HGEDRN CN1CCO[C@@H]2CN(C(F)(F)c3ccc4nc(Cl)c(C#N)c(Cl)c4c3)C[C@@H]21 ZINC001164665792 719490810 /nfs/dbraw/zinc/49/08/10/719490810.db2.gz BJNBQDKCEHHAON-LSDHHAIUSA-N 0 0 413.255 3.477 20 30 HGEDRN C=CCN1C(=O)CC[C@@]12CCCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)[C@@H]2CC ZINC001164704147 719823401 /nfs/dbraw/zinc/82/34/01/719823401.db2.gz XVDCVNMQAFOFSQ-KZULUSFZSA-N 0 0 424.883 3.429 20 30 HGEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)[C@H]2CC ZINC001164704150 719823521 /nfs/dbraw/zinc/82/35/21/719823521.db2.gz XVDCVNMQAFOFSQ-SGTLLEGYSA-N 0 0 424.883 3.429 20 30 HGEDRN Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc(Cl)ncc2C#N)CC3)cn1 ZINC001164694995 719825954 /nfs/dbraw/zinc/82/59/54/719825954.db2.gz AITTWLQYICNNAZ-CYBMUJFWSA-N 0 0 407.852 3.428 20 30 HGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001164759257 720976285 /nfs/dbraw/zinc/97/62/85/720976285.db2.gz ZEHQQVSSROCQRJ-AWEZNQCLSA-N 0 0 407.852 3.411 20 30 HGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869549 721217739 /nfs/dbraw/zinc/21/77/39/721217739.db2.gz CVFSOXYJMYISDP-UHFFFAOYSA-N 0 0 419.863 3.422 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001164869049 721219799 /nfs/dbraw/zinc/21/97/99/721219799.db2.gz AXLDFFSKLQSBMQ-UHFFFAOYSA-N 0 0 419.863 3.422 20 30 HGEDRN N#Cc1cc(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164788230 721436102 /nfs/dbraw/zinc/43/61/02/721436102.db2.gz SKIIWDQHDYJNEW-GASCZTMLSA-N 0 0 406.471 3.039 20 30 HGEDRN C=CCOCc1nn(C)c2c1CN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2 ZINC001164788198 721446502 /nfs/dbraw/zinc/44/65/02/721446502.db2.gz ZRXAJNIWNZQJHC-UHFFFAOYSA-N 0 0 423.851 3.159 20 30 HGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001165017177 721770623 /nfs/dbraw/zinc/77/06/23/721770623.db2.gz QZDWMZGASWVBSS-KBPBESRZSA-N 0 0 406.820 3.486 20 30 HGEDRN N#Cc1cc(C(F)(F)N2CCCn3cnc(Cn4cccn4)c3C2)cc(Cl)n1 ZINC001164936883 721915227 /nfs/dbraw/zinc/91/52/27/721915227.db2.gz AMDFIQLHUVUJFS-UHFFFAOYSA-N 0 0 403.824 3.003 20 30 HGEDRN CCCc1cc(C#N)c(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc1Cl ZINC001164943027 721949053 /nfs/dbraw/zinc/94/90/53/721949053.db2.gz MXVKNZGQFLSOPQ-OALUTQOASA-N 0 0 415.925 3.254 20 30 HGEDRN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)C[C@@H]21 ZINC001164943201 721962035 /nfs/dbraw/zinc/96/20/35/721962035.db2.gz DVQTZHVYABWZMK-LEWJYISDSA-N 0 0 423.904 3.454 20 30 HGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001164956018 722033762 /nfs/dbraw/zinc/03/37/62/722033762.db2.gz BALYNLNFIVGZTQ-DNVCBOLYSA-N 0 0 417.847 3.079 20 30 HGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(C[C@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001164955947 722033781 /nfs/dbraw/zinc/03/37/81/722033781.db2.gz ADTTYMYNUIHLIS-HNAYVOBHSA-N 0 0 417.847 3.079 20 30 HGEDRN C=CCOC[C@H]1CCC[C@]12CN(C(F)(F)c1nc(Cl)cc(N(C)C)n1)CCO2 ZINC001164980991 722167346 /nfs/dbraw/zinc/16/73/46/722167346.db2.gz ZQSYEXDQUNSHNZ-KDOFPFPSSA-N 0 0 416.900 3.319 20 30 HGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(N(C)C)nc(Cl)n1)CCO2 ZINC001164978986 722169836 /nfs/dbraw/zinc/16/98/36/722169836.db2.gz STILTIAFNUXHMZ-KBXCAEBGSA-N 0 0 416.900 3.319 20 30 HGEDRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)c(F)cc4C#N)CC[C@@H]32)cs1 ZINC001164984131 722174695 /nfs/dbraw/zinc/17/46/95/722174695.db2.gz CZMXGBJPUQEZEY-IRXDYDNUSA-N 0 0 421.929 3.381 20 30 HGEDRN C=CCOc1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1OC ZINC000426725710 1126083149 /nfs/dbraw/zinc/08/31/49/1126083149.db2.gz DHCCOJMWHTXWGG-SFHVURJKSA-N 0 0 413.470 3.207 20 30 HGEDRN N#Cc1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)nc1Cl ZINC001164645184 719292044 /nfs/dbraw/zinc/29/20/44/719292044.db2.gz DFEYGEBBKXHZPV-BQFCYCMXSA-N 0 0 420.847 3.500 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC001164645553 719294247 /nfs/dbraw/zinc/29/42/47/719294247.db2.gz KKYJYRFASXROJR-LNLFQRSKSA-N 0 0 420.847 3.500 20 30 HGEDRN N#Cc1cc(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@H]3OCCC[C@H]3C2)cc(Cl)n1 ZINC001164653402 719324796 /nfs/dbraw/zinc/32/47/96/719324796.db2.gz IEPLHCWNOCARFM-CRFBAAHOSA-N 0 0 424.879 3.052 20 30 HGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1C[C@@H]2CCCO[C@@H]2[C@@H](NC(=O)CC2CC2)C1 ZINC001164655989 719324821 /nfs/dbraw/zinc/32/48/21/719324821.db2.gz SHXDAKLOOXLIDC-AXHNFQJDSA-N 0 0 424.879 3.052 20 30 HGEDRN CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@H]21 ZINC001164666196 719490074 /nfs/dbraw/zinc/49/00/74/719490074.db2.gz CHCATTJOVOCFDB-QZTJIDSGSA-N 0 0 404.848 3.338 20 30 HGEDRN CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164695991 719786794 /nfs/dbraw/zinc/78/67/94/719786794.db2.gz QMEKURJPPWLVHR-UHFFFAOYSA-N 0 0 409.824 3.183 20 30 HGEDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccnc(Cl)c2C#N)n1 ZINC001164774536 721050725 /nfs/dbraw/zinc/05/07/25/721050725.db2.gz VVBNOFZWKICQKR-DLBZAZTESA-N 0 0 417.847 3.235 20 30 HGEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc(Cl)nc2C#N)n1 ZINC001164773019 721051955 /nfs/dbraw/zinc/05/19/55/721051955.db2.gz RFABNVJQHFNQCI-SJORKVTESA-N 0 0 417.847 3.235 20 30 HGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(C[C@@H](C(=O)NC4CCC4)CO3)CC2)c1 ZINC001164899332 721489433 /nfs/dbraw/zinc/48/94/33/721489433.db2.gz JSPFXJIGXGXPRM-CQSZACIVSA-N 0 0 424.879 3.196 20 30 HGEDRN N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001164896421 721503607 /nfs/dbraw/zinc/50/36/07/721503607.db2.gz HRCVYIJXHUAZRV-AWEZNQCLSA-N 0 0 417.847 3.189 20 30 HGEDRN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nc(C#N)c(C#N)nc1Cl)C2 ZINC001164910091 721754886 /nfs/dbraw/zinc/75/48/86/721754886.db2.gz LWGSPNMROBVRPD-UHFFFAOYSA-N 0 0 419.876 3.056 20 30 HGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CCC[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21 ZINC001165014492 721769123 /nfs/dbraw/zinc/76/91/23/721769123.db2.gz CWLXQJRNLHHKOP-DOMZBBRYSA-N 0 0 406.820 3.486 20 30 HGEDRN N#Cc1cc(C(F)(F)N2CCC[C@H]3CN(C(=O)c4ccco4)C[C@@H]32)cc(Cl)n1 ZINC001165014519 721769994 /nfs/dbraw/zinc/76/99/94/721769994.db2.gz DCUJNJWGGKHTMB-WFASDCNBSA-N 0 0 406.820 3.486 20 30 HGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(C(=O)c3ccco3)C[C@H]21 ZINC001165017183 721770464 /nfs/dbraw/zinc/77/04/64/721770464.db2.gz QZDWMZGASWVBSS-UONOGXRCSA-N 0 0 406.820 3.486 20 30 HGEDRN N#Cc1ccc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1Cl ZINC001164916517 721804727 /nfs/dbraw/zinc/80/47/27/721804727.db2.gz PSZSIWADRMLZIG-MAUKXSAKSA-N 0 0 406.820 3.363 20 30 HGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC001164915116 721805938 /nfs/dbraw/zinc/80/59/38/721805938.db2.gz IEQVJGUCOOYJFV-CRAIPNDOSA-N 0 0 406.820 3.363 20 30 HGEDRN N#Cc1cc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)cc(Cl)n1 ZINC001164925734 721838859 /nfs/dbraw/zinc/83/88/59/721838859.db2.gz PQHADRNQSJODBP-KXBFYZLASA-N 0 0 420.847 3.216 20 30 HGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164921091 721839196 /nfs/dbraw/zinc/83/91/96/721839196.db2.gz BTRNQDYWEWNXTH-DNVCBOLYSA-N 0 0 420.847 3.216 20 30 HGEDRN COC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164949741 721996447 /nfs/dbraw/zinc/99/64/47/721996447.db2.gz GPRMUMHMWRLCRC-BEFAXECRSA-N 0 0 420.847 3.313 20 30 HGEDRN COC[C@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccc(C#N)cc3)nnc1Cl)C2 ZINC001164949742 721996526 /nfs/dbraw/zinc/99/65/26/721996526.db2.gz GPRMUMHMWRLCRC-DNVCBOLYSA-N 0 0 420.847 3.313 20 30 HGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC001164966639 722064774 /nfs/dbraw/zinc/06/47/74/722064774.db2.gz WKQUFTQQKOXQQR-KGLIPLIRSA-N 0 0 409.849 3.101 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC001164965237 722064898 /nfs/dbraw/zinc/06/48/98/722064898.db2.gz JQPSCTYKLUSISJ-UONOGXRCSA-N 0 0 409.849 3.101 20 30 HGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1cc(Cl)nnc1OC)CCO2 ZINC001164977455 722169696 /nfs/dbraw/zinc/16/96/96/722169696.db2.gz NZUOSAZKZGZCIK-SUMWQHHRSA-N 0 0 403.857 3.262 20 30 HGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(Cl)c4C#N)CC[C@H]32)cs1 ZINC001164986339 722178346 /nfs/dbraw/zinc/17/83/46/722178346.db2.gz KAZFKDQYXIXSNS-QZTJIDSGSA-N 0 0 403.939 3.241 20 30 HGEDRN N#Cc1cccc(COc2cccc(C[NH2+][C@@H](Cn3cc(Cl)cn3)C(=O)[O-])c2)c1 ZINC001320872303 1126170621 /nfs/dbraw/zinc/17/06/21/1126170621.db2.gz LFBQGOKOWSSGCB-FQEVSTJZSA-N 0 0 410.861 3.230 20 30 HGEDRN COc1ccc(C(=O)Nc2ccc(C#N)cc2I)cc1OC ZINC000048544602 569358440 /nfs/dbraw/zinc/35/84/40/569358440.db2.gz OWCGPURAPZZGPA-UHFFFAOYSA-N 0 0 408.195 3.432 20 30 HGEDRN N#Cc1cnc(Cl)cc1C(F)(F)N1CCO[C@@H]2[C@H](OCc3ccncc3)CC[C@H]21 ZINC001164645144 719293713 /nfs/dbraw/zinc/29/37/13/719293713.db2.gz CPJUTQZBUDYABM-LMMKCTJWSA-N 0 0 420.847 3.500 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCO[C@H]2[C@H]1CC[C@@H]2OCc1ccncc1 ZINC001164645551 719294162 /nfs/dbraw/zinc/29/41/62/719294162.db2.gz KKYJYRFASXROJR-AOIWGVFYSA-N 0 0 420.847 3.500 20 30 HGEDRN CN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)C[C@@H]21 ZINC001164666201 719490013 /nfs/dbraw/zinc/49/00/13/719490013.db2.gz CHCATTJOVOCFDB-ZWKOTPCHSA-N 0 0 404.848 3.338 20 30 HGEDRN N#Cc1cnc(Cl)nc1N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164674432 719500658 /nfs/dbraw/zinc/50/06/58/719500658.db2.gz XHACWCAEDOCBLR-UHFFFAOYSA-N 0 0 401.873 3.012 20 30 HGEDRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(C#N)cc(Cl)n1 ZINC001164721517 720313569 /nfs/dbraw/zinc/31/35/69/720313569.db2.gz HISJWENAPNISMY-HNNXBMFYSA-N 0 0 422.867 3.169 20 30 HGEDRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc(Cl)ncc1C#N ZINC001164725525 720313711 /nfs/dbraw/zinc/31/37/11/720313711.db2.gz WPCRKCQNUARMJZ-MRXNPFEDSA-N 0 0 422.867 3.169 20 30 HGEDRN COC[C@@]12CCCO[C@@H]1CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)C2 ZINC001164850640 720826550 /nfs/dbraw/zinc/82/65/50/720826550.db2.gz URVVPRLMFIJAAR-PBHICJAKSA-N 0 0 401.841 3.182 20 30 HGEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]32)N=C1C ZINC001164872708 721229528 /nfs/dbraw/zinc/22/95/28/721229528.db2.gz NZEBYHNLLLRWQF-WBHUJUFNSA-N 0 0 407.852 3.017 20 30 HGEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]32)N=C1C ZINC001164874129 721229565 /nfs/dbraw/zinc/22/95/65/721229565.db2.gz 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PFZRAYPQVINIGO-YCRPNKLZSA-N 0 0 409.465 3.183 20 30 HGEDRN N#Cc1cc(C(F)(F)N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)cnc1Cl ZINC001164655625 719325018 /nfs/dbraw/zinc/32/50/18/719325018.db2.gz RIVZNVIGSNDRFW-OWQGQXMQSA-N 0 0 424.879 3.052 20 30 HGEDRN C=CCN1C(=O)CC[C@]12CCCN(C(F)(F)Oc1cnc(Cl)cn1)[C@H]2CC ZINC001164701097 719824795 /nfs/dbraw/zinc/82/47/95/719824795.db2.gz OACCCJBIYHFSRW-GUYCJALGSA-N 0 0 400.857 3.481 20 30 HGEDRN Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)n1 ZINC001164766010 721053480 /nfs/dbraw/zinc/05/34/80/721053480.db2.gz FCGLFZYJZDLJRH-CVEARBPZSA-N 0 0 417.847 3.235 20 30 HGEDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(C#N)cc(Cl)n2)n1 ZINC001164766022 721053508 /nfs/dbraw/zinc/05/35/08/721053508.db2.gz FCGLFZYJZDLJRH-JKSUJKDBSA-N 0 0 417.847 3.235 20 30 HGEDRN CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]32)N=C1C ZINC001164871975 721226061 /nfs/dbraw/zinc/22/60/61/721226061.db2.gz LYUXMKRCRTWIDD-PMUMKWKESA-N 0 0 407.852 3.017 20 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ZINC001165014394 721769571 /nfs/dbraw/zinc/76/95/71/721769571.db2.gz BSHWKNQAWPVQFA-IUODEOHRSA-N 0 0 406.820 3.486 20 30 HGEDRN N#Cc1c(Cl)nccc1C(F)(F)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001164916935 721804878 /nfs/dbraw/zinc/80/48/78/721804878.db2.gz SOOSOZKRYJQAIU-KBXCAEBGSA-N 0 0 406.820 3.363 20 30 HGEDRN N#Cc1ccc(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1Cl ZINC001164929127 721837855 /nfs/dbraw/zinc/83/78/55/721837855.db2.gz ZTUWSQZCPYBESC-HNAYVOBHSA-N 0 0 420.847 3.216 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(Cn3cccn3)c2C1 ZINC001164938514 721915482 /nfs/dbraw/zinc/91/54/82/721915482.db2.gz PEYLQNKHHLIPKY-UHFFFAOYSA-N 0 0 403.824 3.003 20 30 HGEDRN N#CCCN1CCN(C(F)(F)Oc2ccc3nc(Cl)c(Cl)nc3c2)CC1 ZINC001165055824 722023942 /nfs/dbraw/zinc/02/39/42/722023942.db2.gz VHQLYMKGIKDEKM-UHFFFAOYSA-N 0 0 402.232 3.397 20 30 HGEDRN N#Cc1ccc(C(F)(F)N2CC[C@@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)nc1Cl ZINC001164956356 722032710 /nfs/dbraw/zinc/03/27/10/722032710.db2.gz FPUKLOGQJFZOOB-DNVCBOLYSA-N 0 0 417.847 3.079 20 30 HGEDRN N#Cc1ccc(Cl)nc1C(F)(F)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001164956019 722033682 /nfs/dbraw/zinc/03/36/82/722033682.db2.gz BALYNLNFIVGZTQ-HNAYVOBHSA-N 0 0 417.847 3.079 20 30 HGEDRN N#Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(C[C@@H]3C(=O)NCc3cccnc3)C2)c1 ZINC001164955945 722033708 /nfs/dbraw/zinc/03/37/08/722033708.db2.gz ADTTYMYNUIHLIS-BEFAXECRSA-N 0 0 417.847 3.079 20 30 HGEDRN N#Cc1cc(Cl)ncc1C(F)(F)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001164960379 722034294 /nfs/dbraw/zinc/03/42/94/722034294.db2.gz UQXNPHQYBYFHRK-HNAYVOBHSA-N 0 0 417.847 3.079 20 30 HGEDRN C=CCOC[C@@H]1CCC[C@@]12CN(C(F)(F)c1nc(Cl)nc3[nH]cnc31)CCO2 ZINC001164976076 722169397 /nfs/dbraw/zinc/16/93/97/722169397.db2.gz JOHBHMHIASVFCE-YVEFUNNKSA-N 0 0 413.856 3.081 20 30 HGEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(Cl)cc(C#N)n4)CC[C@H]32)cs1 ZINC001164994688 722180226 /nfs/dbraw/zinc/18/02/26/722180226.db2.gz ZXQYWOVIQFBIQI-QZTJIDSGSA-N 0 0 403.939 3.241 20 30 HGEDRN 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