smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1c(Br)cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCC	ZINC000409326461	557067378	/nfs/dbraw/zinc/06/73/78/557067378.db2.gz	BWVYAIUBKPRDGY-WAYWQWQTSA-N	-2	1	438.234	3.692	40	30		IHEBML
O=C([O-])c1ccccc1N=NC(N=Nc1cc(S(=O)(=O)[O-])ccc1O)c1ccccc1	ZINC000016889926	556648183	/nfs/dbraw/zinc/64/81/83/556648183.db2.gz	OWQUYBAASOSGNO-JFQCYVCTSA-N	-2	1	440.437	3.895	40	30		IHEBML
C=CCc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1[O-]	ZINC000408782640	556855149	/nfs/dbraw/zinc/85/51/49/556855149.db2.gz	IFZUADPPIVMKQI-MHWRWJLKSA-N	-2	1	441.281	3.858	40	30		IHEBML
O=C([O-])c1ccccc1N=NC(N=Nc1cc(S(=O)(=O)[O-])ccc1O)c1ccccc1	ZINC000299888741	568758539	/nfs/dbraw/zinc/75/85/39/568758539.db2.gz	VSSGEDASAZNGHS-UHFFFAOYSA-N	-2	1	440.437	3.895	40	30		IHEBML
O=C([O-])c1ccccc1N=NC(N=Nc1cc(S(=O)(=O)[O-])ccc1O)c1ccccc1	ZINC000008602842	556191014	/nfs/dbraw/zinc/19/10/14/556191014.db2.gz	OWQUYBAASOSGNO-WLYXTFMZSA-N	-2	1	440.437	3.895	40	30		IHEBML
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000085409776	526833140	/nfs/dbraw/zinc/83/31/40/526833140.db2.gz	IKOULFQYMGFLKW-AWEZNQCLSA-N	-2	1	429.435	3.601	40	30		IHEBML
O=C(c1cccs1)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cc([N+](=O)[O-])ccc1[O-]	ZINC000085409773	526834316	/nfs/dbraw/zinc/83/43/16/526834316.db2.gz	IKOULFQYMGFLKW-CQSZACIVSA-N	-2	1	429.435	3.601	40	30		IHEBML