smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000004998243	435984596	/nfs/dbraw/zinc/98/45/96/435984596.db2.gz	PFDIVRLXNHSQJZ-UTCJRWHESA-N	-2	3	344.327	0.978	50	10		ECCAHL
O=C(Nc1cccc([N+](=O)[O-])c1)C([O-])=C1SC(=S)[N-]C1=O	ZINC000106402620	436594455	/nfs/dbraw/zinc/59/44/55/436594455.db2.gz	FDZGOIPOSBETRC-MRVPVSSYSA-N	-2	3	325.327	0.619	50	10		ECCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000019814628	212071540	/nfs/dbraw/zinc/07/15/40/212071540.db2.gz	SXIBLICFIHIRMJ-HQQGHWSLSA-N	-2	3	342.380	0.825	50	10		ECCAHL
O=C1c2ccccc2C(=O)c2c3n[n-]nc3c(S(=O)(=O)[O-])cc21	ZINC000033941946	304722013	/nfs/dbraw/zinc/72/20/13/304722013.db2.gz	YDCWBUDKVKLHLT-UHFFFAOYSA-N	-2	3	329.293	0.980	50	10		ECCAHL
COc1cc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000101746907	436549748	/nfs/dbraw/zinc/54/97/48/436549748.db2.gz	XDMCXZHUZWAHIG-FPYGCLRLSA-N	-2	3	345.275	0.628	50	10		ECCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)N(C)C1=O	ZINC000005854880	435994141	/nfs/dbraw/zinc/99/41/41/435994141.db2.gz	SXIBLICFIHIRMJ-LCFDYFRESA-N	-2	3	342.380	0.825	50	10		ECCAHL
COc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015227046	436079748	/nfs/dbraw/zinc/07/97/48/436079748.db2.gz	RHZIJIFPMZUQJN-XVNBXDOJSA-N	-2	3	337.313	0.566	50	10		ECCAHL
COc1cc(C=C2C(=O)N(c3nn[n-]n3)N=C2C)cc([N+](=O)[O-])c1[O-]	ZINC000009934464	436036989	/nfs/dbraw/zinc/03/69/89/436036989.db2.gz	XDMCXZHUZWAHIG-BAQGIRSFSA-N	-2	3	345.275	0.628	50	10		ECCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000100193818	219094211	/nfs/dbraw/zinc/09/42/11/219094211.db2.gz	MFOBXSRPEZWSTA-JTQLQIEISA-N	-2	3	328.353	0.483	50	10		ECCAHL
O=C(Nc1cccc([N+](=O)[O-])c1)C([O-])=C1SC(=S)[N-]C1=O	ZINC000106402623	436595495	/nfs/dbraw/zinc/59/54/95/436595495.db2.gz	FDZGOIPOSBETRC-QMMMGPOBSA-N	-2	3	325.327	0.619	50	10		ECCAHL
Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000013130537	436058628	/nfs/dbraw/zinc/05/86/28/436058628.db2.gz	MFOBXSRPEZWSTA-SNVBAGLBSA-N	-2	3	328.353	0.483	50	10		ECCAHL
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Br)c1[O-]	ZINC000006580535	436000675	/nfs/dbraw/zinc/00/06/75/436000675.db2.gz	HRUPENJVRUXTMT-UHFFFAOYSA-N	-2	3	341.117	0.913	50	10		ECCAHL
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000059392128	436631992	/nfs/dbraw/zinc/63/19/92/436631992.db2.gz	MWPWPBWILKJPEJ-UHFFFAOYSA-N	-2	3	337.313	0.613	50	10		ECCAHL