smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1Cc1c(C)nc2c(C(=O)[O-])c[n-]n2c1=O	ZINC000008661949	170344273	/nfs/dbraw/zinc/34/42/73/170344273.db2.gz	GJTHGQBHGNLLPK-UHFFFAOYSA-N	-2	0	297.314	2.341	1	10		CECFRL
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C(=O)[O-])c(O)c1	ZINC000095583638	185013205	/nfs/dbraw/zinc/01/32/05/185013205.db2.gz	IJUVAFWQZVRZES-UHFFFAOYSA-N	-2	0	275.260	2.196	1	10		CECFRL
Cc1ccc(C)n1-c1ccc(C(=O)[O-])c(OCC(=O)[O-])c1	ZINC000095585342	185012676	/nfs/dbraw/zinc/01/26/76/185012676.db2.gz	RDALYUUABLDHEC-UHFFFAOYSA-N	-2	0	289.287	2.256	1	10		CECFRL
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(O)c(C(=O)[O-])c1	ZINC000095582911	185012441	/nfs/dbraw/zinc/01/24/41/185012441.db2.gz	XMHLCCMYHAZFEK-UHFFFAOYSA-N	-2	0	275.260	2.196	1	10		CECFRL
COCc1cc2c(cc1[O-])C(=O)c1cc([O-])ccc1C2=O	ZINC000013327870	560214448	/nfs/dbraw/zinc/21/44/48/560214448.db2.gz	BTNISWPIOSAYEQ-UHFFFAOYSA-N	-2	0	284.267	2.020	1	10	biogenic,in-vitro	CECFRL