smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)O[C@H]2[C@@H](C(=O)C(=[N+]=N)S(=O)(=O)c3ccccc3)O[C@H](OCc3ccccc3)[C@H]2O1	ZINC000096481856	535004168	/nfs/dbraw/zinc/00/41/68/535004168.db2.gz	WRBPLQMVYMAVRU-JKBKZWBZSA-N	1	0	459.500	2.129	10	10		JECERO
CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O	ZINC000072320712	569702136	/nfs/dbraw/zinc/70/21/36/569702136.db2.gz	VQBRHKNSGVIPJV-VXKWHMMOSA-N	1	0	485.673	2.082	10	10		JECERO
COC(=O)c1cn([C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@H+](Cc3ccccc3O)C2)nn1	ZINC000012190797	555937750	/nfs/dbraw/zinc/93/77/50/555937750.db2.gz	JASOXPNAIAWFPN-CTNGQTDRSA-N	1	0	467.501	2.084	10	10		JECERO