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](N)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000003927570	555951542	/nfs/dbraw/zinc/95/15/42/555951542.db2.gz	NNRFRJQMBSBXGO-CIUDSAMLSA-N	-1	1	433.422	-4.786	50	0	in-vitro	IAAAMM
NC(=[NH2+])NCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000004533723	555999902	/nfs/dbraw/zinc/99/99/02/555999902.db2.gz	DJXDNYKQOZYOFK-GUBZILKMSA-N	-1	1	447.449	-4.396	50	0		IAAAMM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000020033671	556969401	/nfs/dbraw/zinc/96/94/01/556969401.db2.gz	BKJOGLXOXWIUOM-UHFFFAOYSA-N	-1	1	444.491	-1.129	50	0		IAAAMM
O=c1[nH]cc(S(=O)(=O)[N-]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)[nH]1	ZINC000033327137	557109065	/nfs/dbraw/zinc/10/90/65/557109065.db2.gz	KIIUVCWGLGUPFA-UHFFFAOYSA-N	-1	1	430.464	-1.025	50	0		IAAAMM
Cn1cc(S(=O)(=O)[N-]CCN2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n(C)c1=O	ZINC000040119099	557696100	/nfs/dbraw/zinc/69/61/00/557696100.db2.gz	MXMVHZXLPIEUIR-UHFFFAOYSA-N	-1	1	431.515	-1.085	50	0		IAAAMM