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-])c1ccc([O-])cc1/C=C/c1ccc2cccc([O-])c2n1	ZINC000448112572	1018537665	/nfs/dbraw/zinc/53/76/65/1018537665.db2.gz	FJWDGNHJHMWZKY-FNORWQNLSA-N	-2	3	308.293	3.725	20	5		DHBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ccc3[n-]c(=S)sc3c2)c1	ZINC001201221577	1037582611	/nfs/dbraw/zinc/58/26/11/1037582611.db2.gz	BEYGLATWWZGWGG-UHFFFAOYSA-N	-2	3	319.367	3.942	20	5		DHBDHL
O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1[O-]	ZINC000498304508	339325336	/nfs/dbraw/zinc/32/53/36/339325336.db2.gz	FQMAWZLAJJXMCG-QPJJXVBHSA-N	-2	3	308.293	3.725	20	5		DHBDHL
Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(Cl)c1[O-]	ZINC001174508062	1034466436	/nfs/dbraw/zinc/46/64/36/1034466436.db2.gz	WAKKSSAOMAVRBD-UHFFFAOYSA-N	-2	3	322.704	3.704	20	5		DHBDHL
O=[N+]([O-])c1ccc([O-])cc1/C=C\c1ccc2cccc([O-])c2n1	ZINC000448112571	332521662	/nfs/dbraw/zinc/52/16/62/332521662.db2.gz	FJWDGNHJHMWZKY-ALCCZGGFSA-N	-2	3	308.293	3.725	20	5		DHBDHL
COc1cc([O-])cc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)c1	ZINC000485884985	339715424	/nfs/dbraw/zinc/71/54/24/339715424.db2.gz	SMCGVKZOPSHEED-UHFFFAOYSA-N	-2	3	318.332	3.870	20	5		DHBDHL
Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1[O-]	ZINC001176680753	1035312645	/nfs/dbraw/zinc/31/26/45/1035312645.db2.gz	WXQMCSNAOXUOEC-UHFFFAOYSA-N	-2	3	322.704	3.704	20	5		DHBDHL