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@@]1(O)C(=O)OCc2c(=O)n3c(cc21)-c1nc2ccc([O-])c(C[NH2+]CCO)c2cc1C3	ZINC000003794497	562938149	/nfs/dbraw/zinc/93/81/49/562938149.db2.gz	SIISVVVSYVDPHW-QHCPKHFHSA-N	0	3	437.452	0.867	1	10		ICCFHN
CN(C)CCn1nc2c3c1ccc(NCCN(CCO)CCO)c3C(=O)c1ccncc1-2	ZINC000027635033	563044904	/nfs/dbraw/zinc/04/49/04/563044904.db2.gz	KFYVZEXTXJWASD-UHFFFAOYSA-N	0	3	438.532	0.903	1	10		ICCFHN
CCCn1c(=O)c2c(ncn2CCN(CC)CCO)n(CCc2ccc(N)cc2)c1=O	ZINC000045338249	563131695	/nfs/dbraw/zinc/13/16/95/563131695.db2.gz	VNYUXHOJOYUEEJ-UHFFFAOYSA-N	0	3	428.537	0.909	1	10		ICCFHN
Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3ccc(N4CCN(C)CC4)cc3F)O2)c(=O)[nH]c1=O	ZINC000061922246	563149420	/nfs/dbraw/zinc/14/94/20/563149420.db2.gz	CFAPBWXWSGHJEQ-XUVXKRRUSA-N	0	3	447.511	0.174	3	10		ICCFHN