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)nc([N-]S(=O)(=O)c2ccc(NN=C3C=CC(=O)C(C(=O)[O-])=C3)cc2)n1	ZINC000004194759	555975049	/nfs/dbraw/zinc/97/50/49/555975049.db2.gz	DFPJEJKMDZFZHC-GHVJWSGMSA-N	-2	0	427.442	3.713	10	10	in-man	IHCERL
C[C@@H](C(=O)[O-])n1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000020312414	557007388	/nfs/dbraw/zinc/00/73/88/557007388.db2.gz	MIUIHIJHJYTOCF-LUMBYOQCSA-N	-2	0	447.403	3.522	10	10		IHCERL
C[C@H](C(=O)[O-])n1cc(C=C2C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000020312419	557007627	/nfs/dbraw/zinc/00/76/27/557007627.db2.gz	MIUIHIJHJYTOCF-VJMCZWTHSA-N	-2	0	447.403	3.522	10	10		IHCERL
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccc(Br)cc3)S2)cc(C(=O)[O-])c1	ZINC000016928377	569166568	/nfs/dbraw/zinc/16/65/68/569166568.db2.gz	NEKHIAVXIGJEMF-RZNTYIFUSA-N	-2	0	447.266	3.928	10	10		IHCERL
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000033323382	521959459	/nfs/dbraw/zinc/95/94/59/521959459.db2.gz	PWNBXGOLJMUHCF-AUWJEWJLSA-N	-2	0	444.827	3.627	10	10		IHCERL
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3ccc(Br)o3)S2)cc(C(=O)[O-])c1	ZINC000039869934	569481920	/nfs/dbraw/zinc/48/19/20/569481920.db2.gz	BCJYMDHLBNYXBP-IZZDOVSWSA-N	-2	0	437.227	3.521	10	10		IHCERL