smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1	ZINC000028457891	563064307	/nfs/dbraw/zinc/06/43/07/563064307.db2.gz	PGRFMNLBCCYOON-DQEYMECFSA-N	2	0	486.620	2.078	1	30		JEEFRP
O=C(CCCCC(=O)NCCC[NH2+]CCCNCCC[NH2+]CCC[NH2+]CC1CCCCCC1)NO	ZINC000013674140	562982927	/nfs/dbraw/zinc/98/29/27/562982927.db2.gz	LTUCABLKLKEKNP-UHFFFAOYSA-N	3	0	498.757	2.058	1	30		JEEFRP
C(=CN=NC1=[NH+]CCN1)Cc1ccc(-c2cn3cc(CC=CN=NC4=[NH+]CCN4)ccc3n2)cc1	ZINC000027431159	563044124	/nfs/dbraw/zinc/04/41/24/563044124.db2.gz	PCQQUKYMZOPGJM-HUFMVIJWSA-N	2	0	466.553	2.097	1	30		JEEFRP
CC(C)(C)c1ccc(C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)OCc2ccccc2)cc1	ZINC000028383177	563062982	/nfs/dbraw/zinc/06/29/82/563062982.db2.gz	PFFDGZIFOXKUMB-VXKWHMMOSA-N	2	0	467.614	2.136	1	30		JEEFRP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@@H+]1CC/C=C/[C@@H]([NH3+])CS	ZINC000026185209	563024015	/nfs/dbraw/zinc/02/40/15/563024015.db2.gz	OWOCWLIZBKHRRB-YBZFVJQSSA-N	2	0	481.684	2.123	1	30		JEEFRP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccccc2)C[N@@H+]1CCCC[C@@H]([NH3+])CS	ZINC000026184838	563023960	/nfs/dbraw/zinc/02/39/60/563023960.db2.gz	PTFRKFXKOLSAQG-HZEGPAAWSA-N	2	0	483.700	2.347	1	30		JEEFRP