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-])c1cc(-c2ccccc2[O-])nc2n[nH]c(-c3ccc([N+](=O)[O-])cc3)c21	ZINC000020134675	860495679	/nfs/dbraw/zinc/49/56/79/860495679.db2.gz	DBQOCMVXBPHIPU-UHFFFAOYSA-N	-2	3	376.328	3.604	50	5		GHBAHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1c(C)[n-][nH]c1=O	ZINC000004549677	204051911	/nfs/dbraw/zinc/05/19/11/204051911.db2.gz	UHQNDCMQRVZGGC-UHFFFAOYSA-N	-2	3	395.375	3.509	50	5		GHBAHL
O=C([O-])c1cc(-c2ccccc2[O-])nc2ccc3cc(S(=O)(=O)[O-])ccc3c21	ZINC000006095506	204164655	/nfs/dbraw/zinc/16/46/55/204164655.db2.gz	XILPFXSKPIXATN-UHFFFAOYSA-N	-3	3	395.392	3.706	50	5		GHBAHL
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccncc2)c([N+](=O)[O-])c1[N-]c1ccncc1	ZINC000100446126	570362101	/nfs/dbraw/zinc/36/21/01/570362101.db2.gz	VMHTZVQITDAJSN-UHFFFAOYSA-N	-2	3	397.307	3.688	50	5		GHBAHL
O=C([O-])c1cc(-c2ccccc2[O-])nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)c21	ZINC000020492272	207199412	/nfs/dbraw/zinc/19/94/12/207199412.db2.gz	TYPOVPSKUGWFNZ-UHFFFAOYSA-N	-2	3	376.328	3.604	50	5		GHBAHL
O=C1Nc2ccc([N+](=O)[O-])cc2C1(c1ccc([O-])c(F)c1)c1ccc([O-])c(F)c1	ZINC000015017004	221326979	/nfs/dbraw/zinc/32/69/79/221326979.db2.gz	GRGRTTGBIAUAGU-UHFFFAOYSA-N	-2	3	398.321	3.571	50	5		GHBAHL