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-])[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000169293821	560762817	/nfs/dbraw/zinc/76/28/17/560762817.db2.gz	VZPXOKQZVUDPKV-VSZNYVQBSA-N	-2	1	414.439	2.080	40	0		HEABML
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)[C@H]2C=C[C@@H]1O2	ZINC000004001770	560892529	/nfs/dbraw/zinc/89/25/29/560892529.db2.gz	VZPXOKQZVUDPKV-OWSLCNJRSA-N	-2	1	414.439	2.080	40	0		HEABML
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Br)c(Cl)c1[O-]	ZINC000408596452	557514542	/nfs/dbraw/zinc/51/45/42/557514542.db2.gz	ZJRUTZJSERIGET-XVNBXDOJSA-N	-2	1	419.615	2.184	40	0		HEABML
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc(C(=O)OC)c1	ZINC000013078564	558512504	/nfs/dbraw/zinc/51/25/04/558512504.db2.gz	JOFHNZLTCZVVIY-UHFFFAOYSA-N	-2	1	421.427	2.078	40	0		HEABML
COP(=O)([N-]C(=O)Nc1cccc(NC(=O)[N-]P(=O)(OC)OC)n1)OC	ZINC000082087383	559036789	/nfs/dbraw/zinc/03/67/89/559036789.db2.gz	ALYJDFXDAANAKQ-UHFFFAOYSA-N	-2	1	411.248	2.126	40	0		HEABML
COP(=O)(N=C([O-])Nc1cccc(NC(=O)[N-]P(=O)(OC)OC)n1)OC	ZINC000082087383	559036790	/nfs/dbraw/zinc/03/67/90/559036790.db2.gz	ALYJDFXDAANAKQ-UHFFFAOYSA-N	-2	1	411.248	2.126	40	0		HEABML