smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+](CCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826158308	607922804	/nfs/dbraw/zinc/92/28/04/607922804.db2.gz	JZVROYAMDIMCET-UHFFFAOYSA-N	1	2	363.378	-1.432	20	50		FAGDLO
COCC[N@H+](CCO)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826158308	607922803	/nfs/dbraw/zinc/92/28/03/607922803.db2.gz	JZVROYAMDIMCET-UHFFFAOYSA-N	1	2	363.378	-1.432	20	50		FAGDLO
O=C(C[N@H+](CCO)CCCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409510	607922779	/nfs/dbraw/zinc/92/27/79/607922779.db2.gz	CPMSFMSMTDAJCS-UHFFFAOYSA-N	1	2	363.378	-1.696	20	50		FAGDLO
O=C(C[N@@H+](CCO)CCCO)NNC(=O)c1cccc(-c2nn[nH]n2)c1	ZINC000826409510	607922778	/nfs/dbraw/zinc/92/27/78/607922778.db2.gz	CPMSFMSMTDAJCS-UHFFFAOYSA-N	1	2	363.378	-1.696	20	50		FAGDLO