smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1	ZINC000107815886	436614078	/nfs/dbraw/zinc/61/40/78/436614078.db2.gz	ZVASLAXFSUJROT-SNAWJCMRSA-N	-1	2	333.256	0.605	40	0		ECABLM
Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(NS(=O)(=O)c3cn(C)cn3)C2)n1	ZINC000306129638	437165767	/nfs/dbraw/zinc/16/57/67/437165767.db2.gz	IIRLNQFYONRWPR-CZUORRHYSA-N	-1	2	347.444	0.676	40	0		ECABLM
Nc1nc2nc3c(=O)n(-c4ccc(C(=O)[O-])cc4)cc-3[nH]c2c(=O)[nH]1	ZINC000007996467	436019525	/nfs/dbraw/zinc/01/95/25/436019525.db2.gz	HZFWDZURCMFJOM-UHFFFAOYSA-N	-1	2	338.283	0.154	40	0	in-vitro	ECABLM
CCc1cccc(C(C)C)c1NC(=O)C(=O)c1c([O-])[nH]c(=O)[nH]c1=O	ZINC000001629834	435960352	/nfs/dbraw/zinc/96/03/52/435960352.db2.gz	WODIOYYWVPMYGJ-UHFFFAOYSA-N	-1	2	345.355	0.862	40	0		ECABLM
COC(=O)c1ccc([S-])c(S(=O)(=O)Nc2nc(N)n[nH]2)c1	ZINC000001642339	435962640	/nfs/dbraw/zinc/96/26/40/435962640.db2.gz	YDTWPQPIUFAGTC-UHFFFAOYSA-N	-1	2	329.363	0.263	40	0		ECABLM