smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OC	ZINC000409351210	533481671	/nfs/dbraw/zinc/48/16/71/533481671.db2.gz	ZIUBMRWJRXQMKF-ARJAWSKDSA-N	-2	1	398.169	2.746	40	5		GFBBML
COc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)cc1C(=O)[O-]	ZINC000039716155	209093522	/nfs/dbraw/zinc/09/35/22/209093522.db2.gz	GXFZOYGLALLAGK-UHFFFAOYSA-N	-2	1	386.769	2.756	40	5		GFBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1O	ZINC000409348362	528199754	/nfs/dbraw/zinc/19/97/54/528199754.db2.gz	SQWSSSMQDYHHLE-ARJAWSKDSA-N	-2	1	398.169	2.833	40	5		GFBBML
O=c1[n-]c(C=Cc2ccc(Br)c([N+](=O)[O-])c2)nc([O-])c1[N+](=O)[O-]	ZINC000409343572	231193117	/nfs/dbraw/zinc/19/31/17/231193117.db2.gz	DYDZRUBQUMASOB-DUXPYHPUSA-N	-2	1	383.114	2.637	40	5		GFBBML
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c(Br)cc1O	ZINC000409339733	528195082	/nfs/dbraw/zinc/19/50/82/528195082.db2.gz	LKIQMDWPSWXLHL-ONEGZZNKSA-N	-2	1	398.169	2.833	40	5		GFBBML
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2[O-])C(=O)[O-])n[nH]1	ZINC000408631204	528756834	/nfs/dbraw/zinc/75/68/34/528756834.db2.gz	GBMNZMHODLYQAC-IZZDOVSWSA-N	-2	1	380.382	2.597	40	5		GFBBML
O=c1[n-]c(C=Cc2ccc(I)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409340172	231192996	/nfs/dbraw/zinc/19/29/96/231192996.db2.gz	RNXAMNHPZUZZKZ-ZZXKWVIFSA-N	-2	1	385.117	2.571	40	5		GFBBML
O=c1[n-]c(C=Cc2cccn2Cc2ccccc2[N+](=O)[O-])nc([O-])c1[N+](=O)[O-]	ZINC000409334928	231191832	/nfs/dbraw/zinc/19/18/32/231191832.db2.gz	XYZUXTMETCQOII-FPLPWBNLSA-N	-2	1	383.320	2.724	40	5		GFBBML
CCOc1ccc(Br)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000033391487	551133762	/nfs/dbraw/zinc/13/37/62/551133762.db2.gz	LORJZAZUZWTKNK-UTCJRWHESA-N	-2	1	382.170	2.715	40	5		GFBBML