smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CCN1CCOC ZINC001306623319 1069314671 /nfs/dbraw/zinc/31/46/71/1069314671.db2.gz BUZCGHAVLUPPGF-RPBOFIJWSA-N 0 1 484.689 3.880 20 10 JHCDMN COc1cccc([C@@H](CNC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)N2CCCC2)c1 ZINC001311580495 1069448195 /nfs/dbraw/zinc/44/81/95/1069448195.db2.gz LYFMTUHIDBIIIY-HSZRJFAPSA-N 0 1 456.562 3.512 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)N(C)Cc3cc(-c4ccccc4)n[nH]3)cc2F)CC1 ZINC001311891916 1069600346 /nfs/dbraw/zinc/60/03/46/1069600346.db2.gz AGBOJGLWJCOSGS-UHFFFAOYSA-N 0 1 450.562 3.699 20 10 JHCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCc4ccc(F)cc4[C@H](C)C3)cc2F)C[C@@H](C)O1 ZINC001307889227 1070226693 /nfs/dbraw/zinc/22/66/93/1070226693.db2.gz KADTWKWARVIYKZ-GUDVDZBRSA-N 0 1 457.565 3.856 20 10 JHCDMN CN(C)c1ccc([C@@H](CNCc2cn(C)nc2Br)NC(=O)OC(C)(C)C)cc1 ZINC001308352400 1070360817 /nfs/dbraw/zinc/36/08/17/1070360817.db2.gz CTAFFLJNHMPXKO-QGZVFWFLSA-N 0 1 452.397 3.604 20 10 JHCDMN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccc4ccccc4c3[O-])C2)CC1 ZINC001308613253 1070401564 /nfs/dbraw/zinc/40/15/64/1070401564.db2.gz FDEDVHOHSDQIMJ-NRFANRHFSA-N 0 1 453.583 3.837 20 10 JHCDMN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3[O-])C2)CC1 ZINC001308613253 1070401576 /nfs/dbraw/zinc/40/15/76/1070401576.db2.gz FDEDVHOHSDQIMJ-NRFANRHFSA-N 0 1 453.583 3.837 20 10 JHCDMN O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)c(Br)c1 ZINC001309559740 1070857223 /nfs/dbraw/zinc/85/72/23/1070857223.db2.gz KKLDQDRWZKQXNR-UHFFFAOYSA-N 0 1 456.101 3.848 20 10 JHCDMN COc1ccc([C@@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@H]2CCCO2)c(OC)c1 ZINC001307567639 1070055903 /nfs/dbraw/zinc/05/59/03/1070055903.db2.gz SVTFUMXWNYDCBA-GGAORHGYSA-N 0 1 454.567 3.754 20 10 JHCDMN COC1(CNC(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCC(c2ccccc2)CC1 ZINC001312658605 1070066862 /nfs/dbraw/zinc/06/68/62/1070066862.db2.gz JDMYEQLEXSOIJF-UHFFFAOYSA-N 0 1 450.627 3.981 20 10 JHCDMN COc1ccc(N2CCN(S(=O)(=O)CCNCc3cccc(C4CCCC4)c3)CC2)cc1 ZINC001308458950 1070378451 /nfs/dbraw/zinc/37/84/51/1070378451.db2.gz LHPWDZLTZMTOHX-UHFFFAOYSA-N 0 1 457.640 3.594 20 10 JHCDMN O=S(=O)(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2cc(F)ccc2o1 ZINC001309071236 1070522693 /nfs/dbraw/zinc/52/26/93/1070522693.db2.gz WYHTWGFWRCOVMG-UHFFFAOYSA-N 0 1 458.433 3.906 20 10 JHCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)CCCc2ccc(C(F)(F)F)cc2)N(C)C)cc1 ZINC001309933592 1071021058 /nfs/dbraw/zinc/02/10/58/1071021058.db2.gz DBWXNXMYDNARMQ-OAQYLSRUSA-N 0 1 457.562 3.926 20 10 JHCDMN COc1ccc(N2CCN(CCCNC(=O)N3C[C@H](c4ccc(F)cc4)C[C@H]3C)CC2)cc1 ZINC001311553560 1069436316 /nfs/dbraw/zinc/43/63/16/1069436316.db2.gz DIECFEWFENUHAU-IFMALSPDSA-N 0 1 454.590 3.934 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)cc2F)CC1 ZINC001311893388 1069601026 /nfs/dbraw/zinc/60/10/26/1069601026.db2.gz WXFQWYTZLKBXMW-NHCUHLMSSA-N 0 1 477.625 3.603 20 10 JHCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@H]1Cc1ccccc1Br)cc2=O ZINC001307853218 1070211974 /nfs/dbraw/zinc/21/19/74/1070211974.db2.gz KJWIQWVMBCFOFS-INIZCTEOSA-N 0 1 459.344 3.581 20 10 JHCDMN C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC001313064157 1070238949 /nfs/dbraw/zinc/23/89/49/1070238949.db2.gz IPASPEJONHZQRE-YPAWHYETSA-N 0 1 450.627 3.841 20 10 JHCDMN CN(C)c1ccc(CNC(=O)CN2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001308114503 1070318775 /nfs/dbraw/zinc/31/87/75/1070318775.db2.gz RRVQXIVQUYUWBN-QFIPXVFZSA-N 0 1 458.647 3.918 20 10 JHCDMN CC(C)CNC(=O)c1ccc(NC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1Cl ZINC001310168331 1071176153 /nfs/dbraw/zinc/17/61/53/1071176153.db2.gz PPRYJNCJZNUMPZ-UHFFFAOYSA-N 0 1 458.006 3.799 20 10 JHCDMN CC[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1Cc1ccccc1 ZINC001311612481 1069464003 /nfs/dbraw/zinc/46/40/03/1069464003.db2.gz GZNAWJSMBFPVME-QFIPXVFZSA-N 0 1 454.590 3.593 20 10 JHCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCc4ccc(F)cc4[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC001307889229 1070226891 /nfs/dbraw/zinc/22/68/91/1070226891.db2.gz KADTWKWARVIYKZ-QRVBRYPASA-N 0 1 457.565 3.856 20 10 JHCDMN CCOC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2O)cnc1C(F)F ZINC001309560247 1070858304 /nfs/dbraw/zinc/85/83/04/1070858304.db2.gz NSDJXLAZNQRQBP-UHFFFAOYSA-N 0 1 455.266 3.687 20 10 JHCDMN CCN(CC)c1ccc(Cn2c(C)nnc2N2CCC(CCCN3CCOCC3)CC2)cc1 ZINC001313674621 1070912672 /nfs/dbraw/zinc/91/26/72/1070912672.db2.gz UHOUCWBFTHOAQI-UHFFFAOYSA-N 0 1 454.663 3.810 20 10 JHCDMN COc1ccc(N2CCN(CCCNC(=O)N3C[C@@H](c4ccc(F)cc4)C[C@H]3C)CC2)cc1 ZINC001311553561 1069436149 /nfs/dbraw/zinc/43/61/49/1069436149.db2.gz DIECFEWFENUHAU-IRLDBZIGSA-N 0 1 454.590 3.934 20 10 JHCDMN COc1ccc([C@H]2CCCN2C(=O)CN(Cc2ccccc2O)C[C@@H]2CCCO2)c(OC)c1 ZINC001307567643 1070056119 /nfs/dbraw/zinc/05/61/19/1070056119.db2.gz SVTFUMXWNYDCBA-JTHBVZDNSA-N 0 1 454.567 3.754 20 10 JHCDMN CC(=O)c1cc(F)cc(CN2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1O ZINC001307977939 1070266233 /nfs/dbraw/zinc/26/62/33/1070266233.db2.gz ZKYFTPILVWKLRW-HXUWFJFHSA-N 0 1 450.551 3.972 20 10 JHCDMN CC(=O)c1cc(F)cc(C[NH+]2CCC(CO[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1[O-] ZINC001307977939 1070266251 /nfs/dbraw/zinc/26/62/51/1070266251.db2.gz ZKYFTPILVWKLRW-HXUWFJFHSA-N 0 1 450.551 3.972 20 10 JHCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)cc2F)C[C@@H](C)O1 ZINC001307999577 1070274792 /nfs/dbraw/zinc/27/47/92/1070274792.db2.gz KKZSKBCLKCWOPK-URFREJRNSA-N 0 1 475.992 3.829 20 10 JHCDMN Cc1c(Cl)cccc1N1CCCN(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001313212259 1070294180 /nfs/dbraw/zinc/29/41/80/1070294180.db2.gz PLUARTLWWNANDT-UHFFFAOYSA-N 0 1 456.034 3.822 20 10 JHCDMN CN(C)c1ccc([C@H](CNS(=O)(=O)c2c(F)cccc2F)NC(=O)OC(C)(C)C)cc1 ZINC001309443837 1070774077 /nfs/dbraw/zinc/77/40/77/1070774077.db2.gz GUORTJCPEZXHQV-SFHVURJKSA-N 0 1 455.527 3.575 20 10 JHCDMN CC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc(N3CCSCC3)cc2)CCN1CCOC ZINC001306437627 1068942707 /nfs/dbraw/zinc/94/27/07/1068942707.db2.gz FGOMDBKLCAQENG-QHCPKHFHSA-N 0 1 486.730 3.625 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(Cl)c(OC)c(OC)c3)cc2F)CC1 ZINC001310941202 1069229245 /nfs/dbraw/zinc/22/92/45/1069229245.db2.gz SWXNQVKDWNHWFL-UHFFFAOYSA-N 0 1 450.942 3.960 20 10 JHCDMN CCC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)cc2C)CCN1CCOC ZINC001306623317 1069314728 /nfs/dbraw/zinc/31/47/28/1069314728.db2.gz BUZCGHAVLUPPGF-JWQCQUIFSA-N 0 1 484.689 3.880 20 10 JHCDMN CC[C@H](c1ccccc1)N1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001312833746 1070146370 /nfs/dbraw/zinc/14/63/70/1070146370.db2.gz MRHGKJJFVJTEKT-HSZRJFAPSA-N 0 1 458.553 3.780 20 10 JHCDMN CCOC(=O)c1c(NC(=O)CN2CC[C@@H](c3n[nH]c(C)n3)C2)sc(C)c1-c1ccccc1 ZINC001307848885 1070210545 /nfs/dbraw/zinc/21/05/45/1070210545.db2.gz KJXAODWYVBGTQB-QGZVFWFLSA-N 0 1 453.568 3.755 20 10 JHCDMN CCOC(=O)c1c(NC(=O)CN2CC[C@@H](c3nnc(C)[nH]3)C2)sc(C)c1-c1ccccc1 ZINC001307848885 1070210551 /nfs/dbraw/zinc/21/05/51/1070210551.db2.gz KJXAODWYVBGTQB-QGZVFWFLSA-N 0 1 453.568 3.755 20 10 JHCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCc4ccc(F)cc4[C@@H](C)C3)cc2F)C[C@H](C)O1 ZINC001307889226 1070226872 /nfs/dbraw/zinc/22/68/72/1070226872.db2.gz KADTWKWARVIYKZ-GBESFXJTSA-N 0 1 457.565 3.856 20 10 JHCDMN CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001313064175 1070239248 /nfs/dbraw/zinc/23/92/48/1070239248.db2.gz IYCQXFHNCQMEBE-AREMUKBSSA-N 0 1 450.627 3.700 20 10 JHCDMN CN(C)c1ccc(CNC(=O)CN2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)cc1 ZINC001308114502 1070318328 /nfs/dbraw/zinc/31/83/28/1070318328.db2.gz RRVQXIVQUYUWBN-JOCHJYFZSA-N 0 1 458.647 3.918 20 10 JHCDMN COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]Cc1c([O-])cccc1Br ZINC001308405832 1070371849 /nfs/dbraw/zinc/37/18/49/1070371849.db2.gz WVJKGDKJXOSOPD-GFCCVEGCSA-N 0 1 459.178 3.867 20 10 JHCDMN CCOCCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCSCC3)cc2)C[C@@H]1CC ZINC001314494951 1070411995 /nfs/dbraw/zinc/41/19/95/1070411995.db2.gz UQIONRNVTSFZPV-QHCPKHFHSA-N 0 1 486.730 3.940 20 10 JHCDMN Cc1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)c(C)n1-c1ccccc1 ZINC001309749281 1070952599 /nfs/dbraw/zinc/95/25/99/1070952599.db2.gz KZZSAXFQXLFKCM-UHFFFAOYSA-N 0 1 459.014 3.691 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc(C(=O)NC(C)C)cc3C)cc2F)CC1 ZINC001310182137 1071187941 /nfs/dbraw/zinc/18/79/41/1071187941.db2.gz RSPRQUNLYRWRNB-UHFFFAOYSA-N 0 1 455.578 3.736 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3cc(OC)c(Cl)c(OC)c3)cc2F)CC1 ZINC001310861508 1069197410 /nfs/dbraw/zinc/19/74/10/1069197410.db2.gz UPTITLKREGYBMV-UHFFFAOYSA-N 0 1 450.942 3.960 20 10 JHCDMN COc1ccc(N2CCN(CCCNC(=O)NCC3(c4ccccc4Cl)CC3)CC2)cc1 ZINC001311554298 1069436697 /nfs/dbraw/zinc/43/66/97/1069436697.db2.gz MBSGDBLJGZRKQA-UHFFFAOYSA-N 0 1 457.018 3.892 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@H]3CCCOc4c(OC)cccc43)cc2F)CC1 ZINC001311892887 1069601184 /nfs/dbraw/zinc/60/11/84/1069601184.db2.gz NYWYFVZYBOETEH-NRFANRHFSA-N 0 1 456.562 3.689 20 10 JHCDMN Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001307656117 1070105304 /nfs/dbraw/zinc/10/53/04/1070105304.db2.gz RUQCATYNOZIVOZ-BZSNNMDCSA-N 0 1 459.610 3.666 20 10 JHCDMN CCOC(=O)c1cnn2c1[nH]c(CN1CCC[C@@H]1Cc1ccccc1Br)cc2=O ZINC001307853219 1070212207 /nfs/dbraw/zinc/21/22/07/1070212207.db2.gz KJWIQWVMBCFOFS-MRXNPFEDSA-N 0 1 459.344 3.581 20 10 JHCDMN CCN1CCC[C@H]1Cn1c(-c2cc(C)n(-c3ccccc3)c2C)nnc1N(C)CCS(=O)(=O)CC ZINC001313894188 1071492592 /nfs/dbraw/zinc/49/25/92/1071492592.db2.gz UELWJLPTEFLPGI-QHCPKHFHSA-N 0 1 498.697 3.708 20 10 JHCDMN COc1ccc(N2CCN(C[C@H](O)CN3CCc4cc(Cl)cc(Cl)c4C3)CC2)cc1 ZINC001307524466 1070033916 /nfs/dbraw/zinc/03/39/16/1070033916.db2.gz VATZCPSAXLATOE-FQEVSTJZSA-N 0 1 450.410 3.543 20 10 JHCDMN CC[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1Cc1ccccc1 ZINC001312834265 1070146504 /nfs/dbraw/zinc/14/65/04/1070146504.db2.gz UWHJVJGVHOTVOL-OAQYLSRUSA-N 0 1 458.553 3.607 20 10 JHCDMN CN(C)c1ccc([C@@H](CNS(=O)(=O)c2c(F)cccc2F)NC(=O)OC(C)(C)C)cc1 ZINC001309443836 1070774278 /nfs/dbraw/zinc/77/42/78/1070774278.db2.gz GUORTJCPEZXHQV-GOSISDBHSA-N 0 1 455.527 3.575 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccnc(Br)c3C)cc2F)CC1 ZINC001310821740 1069177920 /nfs/dbraw/zinc/17/79/20/1069177920.db2.gz MBVCOWTXCQWAJC-UHFFFAOYSA-N 0 1 450.356 3.755 20 10 JHCDMN COc1ccc(N2CCN(CCCNC(=O)N3CC[C@@](C)(c4cccc(F)c4)C3)CC2)cc1 ZINC001311556331 1069436709 /nfs/dbraw/zinc/43/67/09/1069436709.db2.gz OPVDYLDIRYRDDQ-AREMUKBSSA-N 0 1 454.590 3.720 20 10 JHCDMN CCOC(=O)C1C(CN(Cc2ccccc2O)C[C@H]2CCCO2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000756336652 1071012185 /nfs/dbraw/zinc/01/21/85/1071012185.db2.gz OVFATTILIBPUEE-HYBUGGRVSA-N 0 1 499.995 3.898 20 10 JHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3C(=O)c3ccc[nH]3)cc2)CC1 ZINC001310441617 1071392167 /nfs/dbraw/zinc/39/21/67/1071392167.db2.gz JSYFUGHNOQUMFE-UHFFFAOYSA-N 0 1 451.958 3.973 20 10 JHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC001310462457 1071405145 /nfs/dbraw/zinc/40/51/45/1071405145.db2.gz CGPFIEJXCJKKAS-UHFFFAOYSA-N 0 1 458.488 3.965 20 10 JHCDMN CN1CCN(c2ccc(CNC(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)cc2)CC1 ZINC001310610505 1069054146 /nfs/dbraw/zinc/05/41/46/1069054146.db2.gz HCHOPDCOBRLMPK-UHFFFAOYSA-N 0 1 456.953 3.797 20 10 JHCDMN CCOC(=O)c1c2c(sc1NC(=O)CN[C@@H](C)c1ccc(N3CCOCC3)cc1)CCC2 ZINC001307640879 1070097104 /nfs/dbraw/zinc/09/71/04/1070097104.db2.gz BDJOKAIPGSMLJA-INIZCTEOSA-N 0 1 457.596 3.539 20 10 JHCDMN COC(=O)c1c(CN(Cc2ccccc2)[C@@H](C)CN2CCOCC2)c2cc(F)ccc2n1C ZINC001308620049 1070403477 /nfs/dbraw/zinc/40/34/77/1070403477.db2.gz RHJFMOCGLFMAGY-IBGZPJMESA-N 0 1 453.558 3.827 20 10 JHCDMN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1O ZINC001309560542 1070857978 /nfs/dbraw/zinc/85/79/78/1070857978.db2.gz QDYHUCFYCMRGLJ-UHFFFAOYSA-N 0 1 456.101 3.848 20 10 JHCDMN CCN(CC)c1ccc(Cn2c(N3CCN(CC)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001313680154 1070937845 /nfs/dbraw/zinc/93/78/45/1070937845.db2.gz WIVFCZXISOMWKE-AMGIVPHBSA-N 0 1 484.689 3.744 20 10 JHCDMN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001307656118 1070105263 /nfs/dbraw/zinc/10/52/63/1070105263.db2.gz RUQCATYNOZIVOZ-FGTMMUONSA-N 0 1 459.610 3.666 20 10 JHCDMN C[C@@H]1Oc2ccc(C(=O)C3CCN(Cc4c(O)cccc4Br)CC3)cc2NC1=O ZINC001308591234 1070396996 /nfs/dbraw/zinc/39/69/96/1070396996.db2.gz GZUCRDUZOJQBRI-ZDUSSCGKSA-N 0 1 459.340 3.969 20 10 JHCDMN CCN(CC)c1ccc(Cn2c(N3CCN(CC)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)cc1 ZINC001313680156 1070937432 /nfs/dbraw/zinc/93/74/32/1070937432.db2.gz WIVFCZXISOMWKE-WXVAWEFUSA-N 0 1 484.689 3.744 20 10 JHCDMN CC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)cc2C)CCN1CCOC ZINC001306426287 1068921556 /nfs/dbraw/zinc/92/15/56/1068921556.db2.gz WSKCAWOOVNGHPA-HSZRJFAPSA-N 0 1 477.657 3.618 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)N[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)cc2F)CC1 ZINC001311893216 1069600963 /nfs/dbraw/zinc/60/09/63/1069600963.db2.gz ULGWEUDEXOKQOC-DENIHFKCSA-N 0 1 480.506 3.701 20 10 JHCDMN CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4[O-])C3)[nH]n2)CC1 ZINC001308873842 1070452509 /nfs/dbraw/zinc/45/25/09/1070452509.db2.gz PDSFTLHWSYQKQJ-QGZVFWFLSA-N 0 1 459.566 3.691 20 10 JHCDMN CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(OC)c4ccccc43)cc2F)CC1 ZINC001309164875 1070580569 /nfs/dbraw/zinc/58/05/69/1070580569.db2.gz YTECCJGFQGQYGX-UHFFFAOYSA-N 0 1 457.571 3.608 20 10 JHCDMN CCN1CCN(c2ccc(CNC(=O)Nc3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)cc2F)CC1 ZINC001311082662 1069267540 /nfs/dbraw/zinc/26/75/40/1069267540.db2.gz DWWNMHWDJRCBBB-LEWJYISDSA-N 0 1 454.546 3.566 20 10 JHCDMN CCOC(=O)c1c2c(sc1NC(=O)CN[C@H](C)c1ccc(N3CCOCC3)cc1)CCC2 ZINC001307640880 1070096973 /nfs/dbraw/zinc/09/69/73/1070096973.db2.gz BDJOKAIPGSMLJA-MRXNPFEDSA-N 0 1 457.596 3.539 20 10 JHCDMN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCc4ccc(F)cc4[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC001307889228 1070226817 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