smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000443529749	1075885231	/nfs/dbraw/zinc/88/52/31/1075885231.db2.gz	MQDXPIMXFVLJQE-UHFFFAOYSA-N	-2	1	408.392	0.577	20	5		HCBDML
CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1	ZINC000492147659	1077278989	/nfs/dbraw/zinc/27/89/89/1077278989.db2.gz	HOBURLMVJDPKTQ-UHFFFAOYSA-N	-2	1	401.382	0.841	20	5		HCBDML
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1	ZINC000617687785	1078836039	/nfs/dbraw/zinc/83/60/39/1078836039.db2.gz	CMDBKZBUPWMMII-UHFFFAOYSA-N	-2	1	420.201	0.626	20	5		HCBDML
O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000618624919	1078866662	/nfs/dbraw/zinc/86/66/62/1078866662.db2.gz	VZCQVEPIPOXJAO-UHFFFAOYSA-N	-2	1	410.202	0.227	20	5		HCBDML
O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nn1	ZINC000761400334	1075380514	/nfs/dbraw/zinc/38/05/14/1075380514.db2.gz	MKKLLGCNPKRHIS-UHFFFAOYSA-N	-2	1	420.201	0.626	20	5		HCBDML
COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000917729781	1078327822	/nfs/dbraw/zinc/32/78/22/1078327822.db2.gz	MTBGBAALTRENSR-ZETCQYMHSA-N	-2	1	411.186	0.652	20	5		HCBDML