smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1Oc2c(cc([O-])c3oc4c([O-])cccc4c(=O)c23)C1(C)C	ZINC000015148355	571732880	/nfs/dbraw/zinc/73/28/80/571732880.db2.gz	WJPITGSTUAHZBK-MRVPVSSYSA-N	-2	3	312.321	3.416	1	5	endogenous,in-man	DGBFHL
C[C@@H]1Oc2c(cc([O-])c3oc4c([O-])cccc4c(=O)c23)C1(C)C	ZINC000015148353	571732966	/nfs/dbraw/zinc/73/29/66/571732966.db2.gz	WJPITGSTUAHZBK-QMMMGPOBSA-N	-2	3	312.321	3.416	1	5	endogenous,in-man	DGBFHL
CCCc1cc(=O)c2c([O-])cc3cc([O-])cc(OC)c3c2o1	ZINC000005807483	181285722	/nfs/dbraw/zinc/28/57/22/181285722.db2.gz	POMCQPYWKLKBSX-UHFFFAOYSA-N	-2	3	300.310	3.319	1	5		DGBFHL
C[C@H]1Oc2cc([O-])c3c(=O)c4cccc([O-])c4oc3c2C1(C)C	ZINC000014636691	560223399	/nfs/dbraw/zinc/22/33/99/560223399.db2.gz	SPSZQWKBQUMDPB-MRVPVSSYSA-N	-2	3	312.321	3.416	1	5	in-vitro	DGBFHL
CC1(C)CCc2cc3c(=O)c4ccc([O-])cc4oc3c([O-])c2O1	ZINC000096928327	185392280	/nfs/dbraw/zinc/39/22/80/185392280.db2.gz	BEYLUVYOQJUNBE-UHFFFAOYSA-N	-2	3	312.321	3.461	1	5		DGBFHL
C[C@@H]1Oc2cc([O-])c3c(=O)c4cccc([O-])c4oc3c2C1(C)C	ZINC000014636689	560223419	/nfs/dbraw/zinc/22/34/19/560223419.db2.gz	SPSZQWKBQUMDPB-QMMMGPOBSA-N	-2	3	312.321	3.416	1	5	in-vitro	DGBFHL