smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2cc(Br)ccc2OCc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000009295544	569520349	/nfs/dbraw/zinc/52/03/49/569520349.db2.gz	AYZALVJXUCNBQI-RMKNXTFCSA-N	-2	1	444.241	3.896	50	5		IHBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Cl)c1OCc1ccccc1	ZINC000009010319	569292971	/nfs/dbraw/zinc/29/29/71/569292971.db2.gz	FUMHEVPPJKXIRE-BQYQJAHWSA-N	-2	1	429.816	3.795	50	5		IHBAML
O=C([O-])CSc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	ZINC000003888054	568740739	/nfs/dbraw/zinc/74/07/39/568740739.db2.gz	CGJGMHPJCLONAR-UHFFFAOYSA-N	-2	1	436.389	3.591	50	5		IHBAML
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009355180	569525206	/nfs/dbraw/zinc/52/52/06/569525206.db2.gz	RHUPUGDGCMCQJK-CLFYSBASSA-N	-2	1	444.241	3.896	50	5		IHBAML
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])cc1	ZINC000009492250	569540563	/nfs/dbraw/zinc/54/05/63/569540563.db2.gz	NXJCLGNTIXYZRZ-UHFFFAOYSA-N	-2	1	447.494	3.505	50	5		IHBAML
O=c1[n-]c(C=Cc2ccc(OCc3ccccc3)c(Br)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009295549	569520362	/nfs/dbraw/zinc/52/03/62/569520362.db2.gz	RHUPUGDGCMCQJK-VQHVLOKHSA-N	-2	1	444.241	3.896	50	5		IHBAML