smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O	ZINC000012647538	379443439	/nfs/dbraw/zinc/44/34/39/379443439.db2.gz	RHQLTXWDELCZFK-UHFFFAOYSA-N	-1	0	340.317	-0.207	40	5		EBBBRM
COC(=O)C1=C[C@]2([N+](=O)[O-])CN(CCC(=O)[O-])C[C@]([N+](=O)[O-])(C1)C2	ZINC000033821811	419061460	/nfs/dbraw/zinc/06/14/60/419061460.db2.gz	QXOOGOHQMFCNBK-OLZOCXBDSA-N	-1	0	343.292	-0.299	40	5		EBBBRM
COC(=O)C1=C[C@@]2([N+](=O)[O-])CN(CCC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000015022439	419290564	/nfs/dbraw/zinc/29/05/64/419290564.db2.gz	QXOOGOHQMFCNBK-QWHCGFSZSA-N	-1	0	343.292	-0.299	40	5		EBBBRM
O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575420092	382103981	/nfs/dbraw/zinc/10/39/81/382103981.db2.gz	FKXHGBJUPDYICU-NWDGAFQWSA-N	-1	0	344.345	-0.361	40	5		EBBBRM
O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575420091	382099454	/nfs/dbraw/zinc/09/94/54/382099454.db2.gz	FKXHGBJUPDYICU-NEPJUHHUSA-N	-1	0	344.345	-0.361	40	5		EBBBRM
O=C([O-])CCN1C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2OCCO)C1	ZINC000012362984	304053651	/nfs/dbraw/zinc/05/36/51/304053651.db2.gz	JTAPXUXKTORBBV-QWHCGFSZSA-N	-1	0	345.308	-0.506	40	5		EBBBRM
O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575420094	382103632	/nfs/dbraw/zinc/10/36/32/382103632.db2.gz	FKXHGBJUPDYICU-VXGBXAGGSA-N	-1	0	344.345	-0.361	40	5		EBBBRM
O=C([O-])CN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575420093	382103678	/nfs/dbraw/zinc/10/36/78/382103678.db2.gz	FKXHGBJUPDYICU-RYUDHWBXSA-N	-1	0	344.345	-0.361	40	5		EBBBRM
Cn1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O	ZINC000223312598	419471719	/nfs/dbraw/zinc/47/17/19/419471719.db2.gz	VXUBXWOMBOBJEC-UHFFFAOYSA-N	-1	0	340.317	-0.207	40	5		EBBBRM