smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2[O-])NC1=O	ZINC000008994901	436033795	/nfs/dbraw/zinc/03/37/95/436033795.db2.gz	OIZIVDSMFGFTIA-XEPABTDDSA-N	-2	1	338.301	0.697	50	30		ECEAML
O=c1[n-]c(=S)[nH]c([O-])c1N=Nc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000003897650	435975821	/nfs/dbraw/zinc/97/58/21/435975821.db2.gz	CHSPZGXRMZCTKO-UHFFFAOYSA-N	-2	1	337.273	0.463	50	30		ECEAML
O=C1[N-]C(=O)C(=N[N-]c2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)N1	ZINC000003898693	435976665	/nfs/dbraw/zinc/97/66/65/435976665.db2.gz	YHPADWRPIHKLMI-UHFFFAOYSA-N	-2	1	335.232	0.340	50	30		ECEAML
O=C([O-])CC1S/C(=N/N=C/c2cccc([N+](=O)[O-])c2[O-])NC1=O	ZINC000002251343	435963537	/nfs/dbraw/zinc/96/35/37/435963537.db2.gz	OIZIVDSMFGFTIA-BWJGRMQRSA-N	-2	1	338.301	0.697	50	30		ECEAML
C=CCN1C(=O)/C(=C\c2cccc(OCC(=O)[O-])c2)C(=O)[N-]C1=S	ZINC000005061702	749167698	/nfs/dbraw/zinc/16/76/98/749167698.db2.gz	MQVKMHIMJSOCEH-WQLSENKSSA-N	-2	1	346.364	0.963	50	30		ECEAML
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)C(=O)[N-]C1=S	ZINC000002164638	435966097	/nfs/dbraw/zinc/96/60/97/435966097.db2.gz	FILSITLUAQZRBX-XYOKQWHBSA-N	-2	1	346.364	0.963	50	30		ECEAML