smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000009046675	553204321	/nfs/dbraw/zinc/20/43/21/553204321.db2.gz	FQKBOWGXTFRKAU-ZDUSSCGKSA-N	-2	1	501.546	2.291	50	5		KEBAML
O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000009046676	553204310	/nfs/dbraw/zinc/20/43/10/553204310.db2.gz	FQKBOWGXTFRKAU-CYBMUJFWSA-N	-2	1	501.546	2.291	50	5		KEBAML
O=c1c(C(c2cccc([N+](=O)[O-])c2)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000009339757	553243702	/nfs/dbraw/zinc/24/37/02/553243702.db2.gz	STBYFQVWXWVWAD-CYBMUJFWSA-N	-2	1	501.546	2.291	50	5		KEBAML
COc1cc([N-]S(=O)(=O)c2ccc([N-]c3c4nonc4c([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000033353185	553923487	/nfs/dbraw/zinc/92/34/87/553923487.db2.gz	HZXCJLFYISBYEQ-UHFFFAOYSA-N	-2	1	518.424	2.391	50	5		KEBAML
O=c1c(C(c2cccc([N+](=O)[O-])c2)c2c([O-])nc3n(c2=O)CCCS3)c([O-])nc2n1CCCS2	ZINC000100726817	554457565	/nfs/dbraw/zinc/45/75/65/554457565.db2.gz	STBYFQVWXWVWAD-ZDUSSCGKSA-N	-2	1	501.546	2.291	50	5		KEBAML