smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000015721728	555956116	/nfs/dbraw/zinc/95/61/16/555956116.db2.gz	QQEYULFDELVZJH-PGUXBMHVSA-N	0	0	450.452	-0.687	10	5		JBBERN
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c53)OCO4	ZINC000038803626	563135532	/nfs/dbraw/zinc/13/55/32/563135532.db2.gz	MSBCRZZTWJVLJV-CGWYSGAGSA-N	0	0	490.373	-0.594	10	5	biogenic	JBBERN