smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CC[N+](=O)[O-])CC(=O)[O-]	1598500509	992429952	/nfs/dbraw/zinc/42/99/52/992429952.db2.gz	DIHKOSGWOCGJBL-UHFFFAOYSA-N	0	2	162.145	-0.721	20	5		ABBDLN
C[N@@H+](CC[N+](=O)[O-])CC(=O)[O-]	1598500509	992429955	/nfs/dbraw/zinc/42/99/55/992429955.db2.gz	DIHKOSGWOCGJBL-UHFFFAOYSA-N	0	2	162.145	-0.721	20	5		ABBDLN
O=C([O-])C[N@H+](CC[N+](=O)[O-])C1CC1	1608746041	1170801257	/nfs/dbraw/zinc/80/12/57/1170801257.db2.gz	JTSQQZYMJQTACC-UHFFFAOYSA-N	0	2	188.183	-0.188	20	5		ABBDLN
O=C([O-])C[N@@H+](CC[N+](=O)[O-])C1CC1	1608746041	1170801276	/nfs/dbraw/zinc/80/12/76/1170801276.db2.gz	JTSQQZYMJQTACC-UHFFFAOYSA-N	0	2	188.183	-0.188	20	5		ABBDLN
CC[N@H+](CC[N+](=O)[O-])CC(=O)[O-]	1596347985	983800978	/nfs/dbraw/zinc/80/09/78/983800978.db2.gz	WVUSHIQAGUDGLX-UHFFFAOYSA-N	0	2	176.172	-0.330	20	5		ABBDLN
CC[N@@H+](CC[N+](=O)[O-])CC(=O)[O-]	1596347985	983800982	/nfs/dbraw/zinc/80/09/82/983800982.db2.gz	WVUSHIQAGUDGLX-UHFFFAOYSA-N	0	2	176.172	-0.330	20	5		ABBDLN