smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)c3cc([O-])c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127821	431296757	/nfs/dbraw/zinc/29/67/57/431296757.db2.gz	HYWTWHWYNWLRLS-HYVNUMGLSA-N	-2	0	319.357	3.395	50	5		DGBARL
O=C([O-])c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000000173197	304271379	/nfs/dbraw/zinc/27/13/79/304271379.db2.gz	VNZCGDYEPFLUPF-UHFFFAOYSA-N	-2	0	319.294	3.142	50	5		DGBARL
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CCc1cc([N+](=O)[O-])c([O-])cc12	ZINC000004127823	181076753	/nfs/dbraw/zinc/07/67/53/181076753.db2.gz	HYWTWHWYNWLRLS-PVAVHDDUSA-N	-2	0	319.357	3.395	50	5		DGBARL
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc([O-])c([N+](=O)[O-])cc3CC[C@H]12	ZINC000000345514	300780286	/nfs/dbraw/zinc/78/02/86/300780286.db2.gz	HYWTWHWYNWLRLS-UAGQMJEPSA-N	-2	0	319.357	3.395	50	5		DGBARL
CC(C)(c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000001577071	431230231	/nfs/dbraw/zinc/23/02/31/431230231.db2.gz	LISYARSNTHASDG-UHFFFAOYSA-N	-2	0	318.285	3.240	50	5		DGBARL
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@H]1CCc1cc([N+](=O)[O-])c([O-])cc12	ZINC000017185265	182079573	/nfs/dbraw/zinc/07/95/73/182079573.db2.gz	HYWTWHWYNWLRLS-XIRDDKMYSA-N	-2	0	319.357	3.395	50	5		DGBARL
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc([O-])c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127824	300780075	/nfs/dbraw/zinc/78/00/75/300780075.db2.gz	HYWTWHWYNWLRLS-OIISXLGYSA-N	-2	0	319.357	3.395	50	5		DGBARL
O=C([O-])c1ccc(Sc2ccccc2C(=O)[O-])c([N+](=O)[O-])c1	ZINC000004671640	304250319	/nfs/dbraw/zinc/25/03/19/304250319.db2.gz	FVMQSMJTJFRWBR-UHFFFAOYSA-N	-2	0	319.294	3.142	50	5		DGBARL
C[C@@]1(C(=O)[O-])CCC[C@]2(C)c3cc([O-])c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127822	181076830	/nfs/dbraw/zinc/07/68/30/181076830.db2.gz	HYWTWHWYNWLRLS-DJIMGWMZSA-N	-2	0	319.357	3.395	50	5		DGBARL