smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000020344756	553639973	/nfs/dbraw/zinc/63/99/73/553639973.db2.gz	DMHFQOCCRLUAKB-JAIQZWGSSA-N	-1	2	508.328	5.062	10	10		KKCELM
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCc4ccc(C(=O)[O-])cc4)c(Cl)c3)C2=O)cc1	ZINC000100137218	554226999	/nfs/dbraw/zinc/22/69/99/554226999.db2.gz	ZUGKYLNZEXRURI-GRSHGNNSSA-N	-1	2	525.344	5.245	10	10		KKCELM
O=C1C=CC(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)=CC1=NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000077273644	553657553	/nfs/dbraw/zinc/65/75/53/553657553.db2.gz	ZUOKIDHOXLRZTG-FMWAKIAMSA-N	-1	2	614.669	5.458	10	10	in-vitro	KKCELM
CC(=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(CSc2ccc(Cl)cc2)[n-]n(-c2nc3ccccc3s2)c1=O	ZINC000150346761	571460700	/nfs/dbraw/zinc/46/07/00/571460700.db2.gz	KYSGBLHMTQQMOT-KOEQRZSOSA-N	-1	2	653.236	7.088	10	10		KKCELM