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)S(=O)(=O)c1ccc(N2CCC(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c([N+](=O)[O-])c1	ZINC000514294064	1059090050	/nfs/dbraw/zinc/09/00/50/1059090050.db2.gz	XXVYLBWZTTUUJO-UHFFFAOYSA-N	1	2	530.651	2.586	20	5		KFBDLO
CN1CCN(S(=O)(=O)c2ccc(Sc3nnc(C[NH+]4CCCC4)n3-c3ccccc3)c([N+](=O)[O-])c2)CC1	ZINC000514298576	1059158558	/nfs/dbraw/zinc/15/85/58/1059158558.db2.gz	AWNGUZZIYIKRJN-UHFFFAOYSA-N	1	2	543.675	2.859	20	5		KFBDLO
CCN(CC)S(=O)(=O)c1ccc(N2CCC(C(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)c([N+](=O)[O-])c1	ZINC000514301116	1059182598	/nfs/dbraw/zinc/18/25/98/1059182598.db2.gz	WNUIAWIFGGEARJ-UHFFFAOYSA-N	1	2	573.716	2.990	20	5		KFBDLO
Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1	ZINC000514394067	1059388261	/nfs/dbraw/zinc/38/82/61/1059388261.db2.gz	HHXOVAAKNPRNAJ-UHFFFAOYSA-N	1	2	518.500	2.856	20	5		KFBDLO
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000514394257	1059386385	/nfs/dbraw/zinc/38/63/85/1059386385.db2.gz	LECFSSFJTRULJX-CALCHBBNSA-N	1	2	506.581	2.633	20	5		KFBDLO
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000514394257	1059386364	/nfs/dbraw/zinc/38/63/64/1059386364.db2.gz	LECFSSFJTRULJX-CALCHBBNSA-N	1	2	506.581	2.633	20	5		KFBDLO
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000514394258	1059386454	/nfs/dbraw/zinc/38/64/54/1059386454.db2.gz	LECFSSFJTRULJX-IAGOWNOFSA-N	1	2	506.581	2.633	20	5		KFBDLO
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000514394259	1059386517	/nfs/dbraw/zinc/38/65/17/1059386517.db2.gz	LECFSSFJTRULJX-IRXDYDNUSA-N	1	2	506.581	2.633	20	5		KFBDLO
CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1[N+](=O)[O-]	ZINC000514395755	1059401875	/nfs/dbraw/zinc/40/18/75/1059401875.db2.gz	SFCPKZJCVXSUKA-UHFFFAOYSA-N	1	2	507.638	2.933	20	5		KFBDLO