smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000001532585	206260237	/nfs/dbraw/zinc/26/02/37/206260237.db2.gz	AUNGANRZJHBGPY-MBNYWOFBSA-N	-1	0	376.369	-1.724	50	5	in-man	GABARM
Cc1cc2c(cc1Cl)nc1c(=O)[n-]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000002004116	1074760205	/nfs/dbraw/zinc/76/02/05/1074760205.db2.gz	MQQMUVNIJRTNJX-LOWVWBTDSA-N	-1	0	396.787	-1.379	50	5		GABARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C	ZINC000002036848	212262410	/nfs/dbraw/zinc/26/24/10/212262410.db2.gz	AUNGANRZJHBGPY-SCRDCRAPSA-N	-1	0	376.369	-1.724	50	5	endogenous,fda	GABARM
O=C([O-])CN1C[C@@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002750128	1075490126	/nfs/dbraw/zinc/49/01/26/1075490126.db2.gz	OUQURFNIMNDUEW-CABCVRRESA-N	-1	0	384.345	-1.003	50	5		GABARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C	ZINC000003650334	204017071	/nfs/dbraw/zinc/01/70/71/204017071.db2.gz	AUNGANRZJHBGPY-SGMGOOAPSA-N	-1	0	376.369	-1.724	50	5	in-vitro	GABARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C	ZINC000003831423	560189925	/nfs/dbraw/zinc/18/99/25/560189925.db2.gz	AUNGANRZJHBGPY-OUCADQQQSA-N	-1	0	376.369	-1.724	50	5	in-vitro	GABARM
Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1Cl	ZINC000004430211	1075578281	/nfs/dbraw/zinc/57/82/81/1075578281.db2.gz	JANFBIHPDDCAJV-LOWVWBTDSA-N	-1	0	396.787	-1.379	50	5		GABARM
O=C([O-])CN1C[C@]2([N+](=O)[O-])C=C(C(=O)N3CCOCC3)C[C@]([N+](=O)[O-])(C1)C2	ZINC000008426428	570531605	/nfs/dbraw/zinc/53/16/05/570531605.db2.gz	OUQURFNIMNDUEW-LSDHHAIUSA-N	-1	0	384.345	-1.003	50	5		GABARM
O=C([O-])CCC(CN1CC([N+](=O)[O-])([N+](=O)[O-])CCC1=O)([N+](=O)[O-])[N+](=O)[O-]	ZINC000110032089	1074298769	/nfs/dbraw/zinc/29/87/69/1074298769.db2.gz	FUAHWIXNXHTBJZ-UHFFFAOYSA-N	-1	0	379.238	-1.027	50	5		GABARM