smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1c2nc(C(=O)[O-])cc(/C=C/c3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029223925	563076834	/nfs/dbraw/zinc/07/68/34/563076834.db2.gz	JMULJQNLTAIZGM-MDZDMXLPSA-N	-2	0	429.428	4.861	1	5		IJBFRL
O=C([O-])c1cccc(C(=O)[O-])c1-c1c2cc(Cl)c([O-])cc2oc2cc(=O)c(Cl)cc1-2	ZINC000084849192	563179862	/nfs/dbraw/zinc/17/98/62/563179862.db2.gz	CHGLKDXUBRPJLU-UHFFFAOYSA-N	-3	0	445.210	4.974	1	5		IJBFRL
O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2[O-])cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2ccccc21	ZINC000028608410	563059755	/nfs/dbraw/zinc/05/97/55/563059755.db2.gz	BQHKHXCLONFLRD-OAHLLOKOSA-N	-2	0	438.367	4.633	1	5		IJBFRL
O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2[O-])cc([N+](=O)[O-])c1[O-])[C@H]1CCc2ccccc21	ZINC000028608411	563059780	/nfs/dbraw/zinc/05/97/80/563059780.db2.gz	BQHKHXCLONFLRD-HNNXBMFYSA-N	-2	0	438.367	4.633	1	5		IJBFRL
CCCc1c2nc(C(=O)[O-])cc(Sc3ccccc3)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029231412	563076919	/nfs/dbraw/zinc/07/69/19/563076919.db2.gz	ULNMPTUQPRTHIM-UHFFFAOYSA-N	-2	0	435.457	4.841	1	5		IJBFRL