smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1NC(=O)c1cc2cc3ccccc3cc2cc1OP(=O)([O-])[O-]	ZINC000002507954	557353518	/nfs/dbraw/zinc/35/35/18/557353518.db2.gz	AODGGAXCSNLSHI-UHFFFAOYSA-N	-2	0	407.362	5.025	50	5		HKBARL
O=C([O-])c1ccccc1-c1c2cc(Cl)c([O-])cc2oc2cc(=O)c(Cl)cc1-2	ZINC000003861465	291298691	/nfs/dbraw/zinc/29/86/91/291298691.db2.gz	DEKLBBNTWGKTGV-UHFFFAOYSA-N	-2	0	401.201	5.275	50	5	biogenic,in-vitro	HKBARL
O=C([O-])c1ccccc1-c1ccc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)o1	ZINC000006244045	569034656	/nfs/dbraw/zinc/03/46/56/569034656.db2.gz	XCHFRYBCGFVJTE-UHFFFAOYSA-N	-2	0	409.397	5.711	50	5		HKBARL
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2Cl)nc1[N-]c1ccccc1Cl	ZINC000008386493	568996174	/nfs/dbraw/zinc/99/61/74/568996174.db2.gz	VMMHIAWRZCCPDT-UHFFFAOYSA-N	-2	0	420.212	5.692	50	5		HKBARL
O=C([O-])c1cc(-c2ccccc2)nc2cc3nc(-c4ccccc4)cc(C(=O)[O-])c3cc21	ZINC000016492663	569057406	/nfs/dbraw/zinc/05/74/06/569057406.db2.gz	VYCRZDPZGXUPAQ-UHFFFAOYSA-N	-2	0	420.424	5.513	50	5		HKBARL