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+](C)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)[C@@H]1CCC[NH2+]C1	ZINC001161449548	792913193	/nfs/dbraw/zinc/91/31/93/792913193.db2.gz	NWQHEWUASVZACU-MCIONIFRSA-N	2	3	362.496	-1.165	20	30		FAEDHP
C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)[C@H]1CCC[NH2+]C1	ZINC001161449549	792913270	/nfs/dbraw/zinc/91/32/70/792913270.db2.gz	NWQHEWUASVZACU-MJBXVCDLSA-N	2	3	362.496	-1.165	20	30		FAEDHP