smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000100982808	557210034	/nfs/dbraw/zinc/21/00/34/557210034.db2.gz	KMWBBQOLMNGCIL-WBVHZDCISA-N	-2	1	442.815	2.546	50	5		IFBAML
CCc1c(C(=O)[O-])nnn1-c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000040146646	569492278	/nfs/dbraw/zinc/49/22/78/569492278.db2.gz	CZZXWPJKWCIATC-UHFFFAOYSA-N	-2	1	431.430	2.545	50	5		IFBAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000008396680	132281536	/nfs/dbraw/zinc/28/15/36/132281536.db2.gz	JYXMAIBTFWSTEV-UHFFFAOYSA-N	-3	1	449.441	2.782	50	5		IFBAML
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000100982806	557209828	/nfs/dbraw/zinc/20/98/28/557209828.db2.gz	KMWBBQOLMNGCIL-NVXWUHKLSA-N	-2	1	442.815	2.546	50	5		IFBAML
CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(O)c12	ZINC000100982812	557209937	/nfs/dbraw/zinc/20/99/37/557209937.db2.gz	KMWBBQOLMNGCIL-DOTOQJQBSA-N	-2	1	442.815	2.546	50	5		IFBAML
CSc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c([O-])[nH]c(SC)nc2=O)c(=O)[n-]1	ZINC000013497049	556588569	/nfs/dbraw/zinc/58/85/69/556588569.db2.gz	XHGGYZWDQCMTBG-UHFFFAOYSA-N	-2	1	449.470	2.621	50	5		IFBAML