smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCCCC(=O)NCCC[NH2+]CCC[NH2+]CCCNCCC[NH2+]CC1CCCCCC1)NO	ZINC000013674140	562982928	/nfs/dbraw/zinc/98/29/28/562982928.db2.gz	LTUCABLKLKEKNP-UHFFFAOYSA-N	3	1	498.757	2.058	1	30		JEEFMP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@H+]1CC/C=C/[C@@H]([NH3+])CS	ZINC000026185209	563024017	/nfs/dbraw/zinc/02/40/17/563024017.db2.gz	OWOCWLIZBKHRRB-YBZFVJQSSA-N	2	1	481.684	2.123	1	30		JEEFMP
CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1ccccc1)[NH2+]C[C@@H]([NH3+])CS	ZINC000026579869	563031297	/nfs/dbraw/zinc/03/12/97/563031297.db2.gz	LPXFKFJILUUIHP-PSWRPDDJSA-N	2	1	498.759	2.161	1	30		JEEFMP
CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1ccccc1)[NH2+]C[C@@H]([NH3+])CS	ZINC000026579870	563031325	/nfs/dbraw/zinc/03/13/25/563031325.db2.gz	LPXFKFJILUUIHP-WSWWRLHASA-N	2	1	498.759	2.161	1	30		JEEFMP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@H+]1CCCC[C@@H]([NH3+])CS	ZINC000026184838	563023961	/nfs/dbraw/zinc/02/39/61/563023961.db2.gz	PTFRKFXKOLSAQG-HZEGPAAWSA-N	2	1	483.700	2.347	1	30		JEEFMP