smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@H](C)[C@@H](O)[C@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@H]2O	ZINC000150347858	291743558	/nfs/dbraw/zinc/74/35/58/291743558.db2.gz	DRYDKQOPVBDZMQ-OCHURCMPSA-N	-2	0	638.578	2.164	10	30	biogenic,in-vitro	KEEERL
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	ZINC000299817851	572140148	/nfs/dbraw/zinc/14/01/48/572140148.db2.gz	XBXPRQMBBLPSNN-HTQZYQBOSA-N	-4	0	546.440	2.383	10	30		KEEERL
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	ZINC000299817853	572140112	/nfs/dbraw/zinc/14/01/12/572140112.db2.gz	XBXPRQMBBLPSNN-YUMQZZPRSA-N	-3	0	546.440	2.383	10	30		KEEERL
Cc1cc(O)c2c(c1)C(=O)[C@@]13[C@H]4C(=O)C5C(=O)c6c(O)cc(C)cc6C(=O)[C@@]56[C@@H](C(=O)C1C2=O)[C@@H](O)[C@@H]3[C@H]6[C@@H]4O	ZINC000473088573	562897304	/nfs/dbraw/zinc/89/73/04/562897304.db2.gz	OYNIPTDPTUSUAY-PUTAFCBNSA-N	-2	0	542.496	2.011	10	30		KEEERL