smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1Cc2cc([O-])c3c(c2C(=O)O1)C(=O)C(=O)C(C1=C([O-])C(=O)c2c4c(cc([O-])c2C1=O)C[C@@H](C)OC4=O)=C3[O-]	ZINC000299817851	572140157	/nfs/dbraw/zinc/14/01/57/572140157.db2.gz	XBXPRQMBBLPSNN-HTQZYQBOSA-N	-4	3	546.440	2.383	10	30		KEEEHL
C[C@@H]1Cc2cc([O-])c3c(c2C(=O)O1)C(=O)C(=O)C(C1=C([O-])C(=O)c2c4c(cc([O-])c2C1=O)C[C@H](C)OC4=O)=C3[O-]	ZINC000299817852	572140107	/nfs/dbraw/zinc/14/01/07/572140107.db2.gz	XBXPRQMBBLPSNN-OCAPTIKFSA-N	-4	3	546.440	2.383	10	30		KEEEHL
C[C@@H]1Cc2cc([O-])c3c(c2C(=O)O1)C(=O)C([O-])=C(C1=C([O-])c2c([O-])cc4c(c2C(=O)C1=O)C(=O)O[C@@H](C)C4)C3=O	ZINC000299817852	572140103	/nfs/dbraw/zinc/14/01/03/572140103.db2.gz	XBXPRQMBBLPSNN-OCAPTIKFSA-N	-4	3	546.440	2.383	10	30		KEEEHL
C[C@H]1Cc2cc([O-])c3c(c2C(=O)O1)C(=O)C(=O)C(C1=C([O-])C(=O)c2c4c(cc([O-])c2C1=O)C[C@H](C)OC4=O)=C3[O-]	ZINC000299817853	572140122	/nfs/dbraw/zinc/14/01/22/572140122.db2.gz	XBXPRQMBBLPSNN-YUMQZZPRSA-N	-4	3	546.440	2.383	10	30		KEEEHL