smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1c[nH]c2ccccc12)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000014096587	561736566	/nfs/dbraw/zinc/73/65/66/561736566.db2.gz	AFKRYMMWFODFAD-CSKARUKUSA-N	1	1	521.561	4.364	1	70		KIIFMO
O=C(/C=C/c1cnc2ccccc2c1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784561	562087728	/nfs/dbraw/zinc/08/77/28/562087728.db2.gz	WIWLEFDYNDBBIF-JXMROGBWSA-N	1	1	533.572	4.431	1	70		KIIFMO
O=C(/C=C/c1ccc2ncccc2c1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784571	562087762	/nfs/dbraw/zinc/08/77/62/562087762.db2.gz	PCVICCVMMOFTLF-UXBLZVDNSA-N	1	1	533.572	4.431	1	70		KIIFMO
CC(=O)c1cccc(C=CC(=O)NCCCC[N@H+]2CCc3ccc(OS(=O)(=O)C(F)(F)F)cc3C2)c1	ZINC000042784579	562087704	/nfs/dbraw/zinc/08/77/04/562087704.db2.gz	NUWDDLFERGKQRG-JXMROGBWSA-N	1	1	524.561	4.086	1	70		KIIFMO
O=C(/C=C/c1ccc2ccccc2n1)NCCCC[N@@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784694	562087898	/nfs/dbraw/zinc/08/78/98/562087898.db2.gz	NNMGGNROJQCPDV-ZRDIBKRKSA-N	1	1	533.572	4.431	1	70		KIIFMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043300631	562647539	/nfs/dbraw/zinc/64/75/39/562647539.db2.gz	DLPUGSCFZXDCJS-UHFFFAOYSA-N	1	1	500.427	4.403	1	70		KIIFMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(OCCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307626	562647581	/nfs/dbraw/zinc/64/75/81/562647581.db2.gz	KRIHPSHIXHMOJW-UHFFFAOYSA-N	1	1	526.034	4.202	1	70		KIIFMO
CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)C[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O	ZINC000160937622	562849116	/nfs/dbraw/zinc/84/91/16/562849116.db2.gz	GRKWALBGUZROQR-FUQONNQVSA-N	1	1	676.899	4.486	1	70		KIIFMO
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c(C)c1C(=O)N1CC[NH+](C)CC1	ZINC000218128707	562877806	/nfs/dbraw/zinc/87/78/06/562877806.db2.gz	JLEKGHANVLWCRU-XYGWBWBKSA-N	1	1	506.610	4.365	1	70		KIIFMO