smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000573239064	1072556591	/nfs/dbraw/zinc/55/65/91/1072556591.db2.gz	QQSOXFSRJRFJKI-HNNXBMFYSA-N	2	0	386.474	-0.434	20	5		GBBDRP
C[NH+]1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000573239065	1072556667	/nfs/dbraw/zinc/55/66/67/1072556667.db2.gz	QQSOXFSRJRFJKI-OAHLLOKOSA-N	2	0	386.474	-0.434	20	5		GBBDRP
C[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)(N2CCOCC2)CC1	ZINC000580769554	1072923869	/nfs/dbraw/zinc/92/38/69/1072923869.db2.gz	VSTVAGWZPNSGNI-INIZCTEOSA-N	2	0	382.465	-0.462	20	5		GBBDRP
C[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)(N2CCOCC2)CC1	ZINC000580769555	1072924248	/nfs/dbraw/zinc/92/42/48/1072924248.db2.gz	VSTVAGWZPNSGNI-MRXNPFEDSA-N	2	0	382.465	-0.462	20	5		GBBDRP