smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)oc2cc([O-])cc(O)c12	ZINC000040828947	213391858	/nfs/dbraw/zinc/39/18/58/213391858.db2.gz	DQGPISIJWYQAJW-UHFFFAOYSA-N	-1	1	344.235	2.688	1	5		EFBFMM
COc1cc(OC)c2c(c1)oc1c(cc(OC)c([O-])c1OC)c2=O	ZINC000014649056	560223904	/nfs/dbraw/zinc/22/39/04/560223904.db2.gz	CYPTUXAPGYYRNQ-UHFFFAOYSA-N	-1	1	332.308	2.686	1	5	biogenic,in-vitro	EFBFMM
COc1cc2c(c3oc4c([O-])cccc4c(=O)c13)[C@H]([C@@]1(C)CO1)CO2	ZINC000005438832	201650681	/nfs/dbraw/zinc/65/06/81/201650681.db2.gz	MHXHBIQQHVEKNK-GIGQVBGESA-N	-1	1	340.331	2.925	1	5		EFBFMM
COc1cc2c(c3oc4c([O-])cccc4c(=O)c13)C[C@@H]([C@]1(C)CO1)O2	ZINC000014682377	560224232	/nfs/dbraw/zinc/22/42/32/560224232.db2.gz	BBNDPXOGORGETN-LIRRHRJNSA-N	-1	1	340.331	2.753	1	5	biogenic,in-vitro	EFBFMM
Nc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=O)[N-]C2=O)o1	ZINC000038266657	213205998	/nfs/dbraw/zinc/20/59/98/213205998.db2.gz	VLFRYVDGGZBPTG-SDQBBNPISA-N	-1	1	331.309	2.761	1	5		EFBFMM
CC(C)(O)CCc1c(O)ccc2oc3cc([O-])cc(O)c3c(=O)c21	ZINC000014819787	560226871	/nfs/dbraw/zinc/22/68/71/560226871.db2.gz	HBLDDRXQYPHQQU-UHFFFAOYSA-N	-1	1	330.336	2.767	1	5	biogenic,in-vitro	EFBFMM