smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c1	ZINC000022517511	527388370	/nfs/dbraw/zinc/38/83/70/527388370.db2.gz	MOQBZOOQTSUOST-UHFFFAOYSA-N	-2	3	449.470	2.128	40	5		IEBBHL
O=C([O-])c1cc(S(=O)(=O)[N-]CCn2cc(Cl)c([N+](=O)[O-])n2)c(Cl)cc1Cl	ZINC000036615180	569123440	/nfs/dbraw/zinc/12/34/40/569123440.db2.gz	IWEMZWHIJQHHEA-UHFFFAOYSA-N	-2	3	443.652	2.428	40	5		IEBBHL
CC(C)(C)OC(=O)N[C@@H](CCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000104840700	557462513	/nfs/dbraw/zinc/46/25/13/557462513.db2.gz	VHWIGZMAQNMNOK-LBPRGKRZSA-N	-2	3	431.467	2.021	40	5		IEBBHL
O=c1nc(C=Cc2cc(Br)c([O-])c(Br)c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000108989760	569253388	/nfs/dbraw/zinc/25/33/88/569253388.db2.gz	BQDOGQKGQSEBRN-OWOJBTEDSA-N	-4	3	449.011	2.078	40	5		IEBBHL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(I)c1[O-]	ZINC000409329296	557063407	/nfs/dbraw/zinc/06/34/07/557063407.db2.gz	DLXLISJJNTWGHR-IHWYPQMZSA-N	-3	3	431.142	2.285	40	5		IEBBHL
Cc1cc([N+](=O)[O-])nn1CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000036614999	569123465	/nfs/dbraw/zinc/12/34/65/569123465.db2.gz	SPLRZAZKLXEPDZ-UHFFFAOYSA-N	-2	3	437.261	2.473	40	5		IEBBHL