smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015722303	555956761	/nfs/dbraw/zinc/95/67/61/555956761.db2.gz	JJYSJBMKKZTIOY-LNMJFAINSA-N	1	0	490.561	0.907	10	5		JCBERO
[NH3+]CCSC[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@@H]1O	ZINC000031476343	556397428	/nfs/dbraw/zinc/39/74/28/556397428.db2.gz	OAFPVFZXWPVEBS-NVQRDWNXSA-N	1	0	461.504	0.658	10	5	in-vitro	JCBERO
[NH3+]CCSC[C@@H]1O[C@H](n2cnc3c2ncnc3NCc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H]1O	ZINC000090610007	527190490	/nfs/dbraw/zinc/19/04/90/527190490.db2.gz	OAFPVFZXWPVEBS-AMVTXUCVSA-N	1	0	461.504	0.658	10	5		JCBERO