smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H](CCC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003870211	194365590	/nfs/dbraw/zinc/36/55/90/194365590.db2.gz	FXEUKVKGTKDDIQ-VHSXEESVSA-N	-1	0	473.420	-0.527	10	5	in-vivo	JBBERM
[NH3+][C@H](CCC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003870212	194365536	/nfs/dbraw/zinc/36/55/36/194365536.db2.gz	FXEUKVKGTKDDIQ-ZJUUUORDSA-N	-1	0	473.420	-0.527	10	5		JBBERM
[NH3+][C@H](CCC(=O)N[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000003870213	194365588	/nfs/dbraw/zinc/36/55/88/194365588.db2.gz	FXEUKVKGTKDDIQ-NXEZZACHSA-N	-1	0	473.420	-0.527	10	5		JBBERM