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](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)[NH2+][C@H](C=O)CCCNC(N)=[NH2+]	ZINC000014949095	560227579	/nfs/dbraw/zinc/22/75/79/560227579.db2.gz	JEQVYCMCKPVWJE-ULQDDVLXSA-N	2	1	426.562	0.015	1	30	in-vitro	ICEFMP
CC(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CC(C)C)[NH2+][C@@H](C=O)CCCNC(N)=[NH2+]	ZINC000014949098	560227567	/nfs/dbraw/zinc/22/75/67/560227567.db2.gz	JEQVYCMCKPVWJE-IKGGRYGDSA-N	2	1	426.562	0.015	1	30	in-vitro	ICEFMP
O=C(CCCCC(=O)NCCC[NH2+]CCCNCCC[NH2+]CCC[NH2+]CC1CC1)NO	ZINC000028526358	563056940	/nfs/dbraw/zinc/05/69/40/563056940.db2.gz	MVCCTKCHRXVZJM-UHFFFAOYSA-N	3	1	442.649	0.497	1	30		ICEFMP
CC(=NNC(=N)N)c1cc(NC(=O)CCCCCNC(N)=[NH2+])cc(C(C)=NNC(N)=[NH2+])c1	ZINC000066259695	563160577	/nfs/dbraw/zinc/16/05/77/563160577.db2.gz	IXXQQNRFKZTEFJ-VBNCLUCLSA-N	2	1	444.548	0.083	1	30		ICEFMP