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(CO)NN=Cc1ccc(-c2nn[n-]n2)o1	ZINC000826414799	609161588	/nfs/dbraw/zinc/16/15/88/609161588.db2.gz	IKFKNCRDWHLWLL-UHFFFAOYSA-N	-1	1	236.191	-1.098	20	50		BAGDMM
O=C(CO)NN=Cc1ccc(-c2nnn[n-]2)o1	ZINC000826414799	609161586	/nfs/dbraw/zinc/16/15/86/609161586.db2.gz	IKFKNCRDWHLWLL-UHFFFAOYSA-N	-1	1	236.191	-1.098	20	50		BAGDMM
CCN1CCN(CC(=O)NNC(=O)[O-])CC1	ZINC000827223732	603628116	/nfs/dbraw/zinc/62/81/16/603628116.db2.gz	WEUIXNPHYFGULK-UHFFFAOYSA-N	-1	1	230.268	-1.077	20	50		BAGDMM
CCCN(C)CC(=O)NNC(=O)CNC(=O)[O-]	ZINC000833852936	605464683	/nfs/dbraw/zinc/46/46/83/605464683.db2.gz	FEFCFMYBGOFBJK-UHFFFAOYSA-N	-1	1	246.267	-1.257	20	50		BAGDMM
Cc1ncc(C(=O)NNC(=O)CNC(=O)[O-])[nH]1	ZINC000833913295	605453755	/nfs/dbraw/zinc/45/37/55/605453755.db2.gz	YEMBDISKRZTGLQ-UHFFFAOYSA-N	-1	1	241.207	-1.253	20	50		BAGDMM
O=C([O-])NCC(=O)NNC(=O)c1cnc[nH]1	ZINC000834203497	605452512	/nfs/dbraw/zinc/45/25/12/605452512.db2.gz	VJCUGTUZYNMAEU-UHFFFAOYSA-N	-1	1	227.180	-1.562	20	50		BAGDMM
O=C([O-])NNC(=O)[C@H]1CN2CCN1CCC2	ZINC000834251344	605810989	/nfs/dbraw/zinc/81/09/89/605810989.db2.gz	UDFWVOZYUWJJBS-SSDOTTSWSA-N	-1	1	228.252	-1.325	20	50		BAGDMM
O=C([O-])NNC(=O)[C@@H]1CN2CCN1CCC2	ZINC000834251351	605810734	/nfs/dbraw/zinc/81/07/34/605810734.db2.gz	UDFWVOZYUWJJBS-ZETCQYMHSA-N	-1	1	228.252	-1.325	20	50		BAGDMM