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@@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1	ZINC000004102407	210179039	/nfs/dbraw/zinc/17/90/39/210179039.db2.gz	CWVRJTMFETXNAD-QHEBTOHLSA-N	-1	0	354.311	-0.646	1	10	endogenous,in-man	FBCFRM
O=C([O-])[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)C1	ZINC000012153524	206762255	/nfs/dbraw/zinc/76/22/55/206762255.db2.gz	CWVRJTMFETXNAD-BBDSCLQGSA-N	-1	0	354.311	-0.646	1	10	endogenous,in-man	FBCFRM
O=C([O-])C1(OC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@H](O)C(O)[C@H](O)C1	ZINC000013382386	571699684	/nfs/dbraw/zinc/69/96/84/571699684.db2.gz	GWTUHAXUUFROTF-UEIZPBJQSA-N	-1	0	354.311	-0.646	1	10	endogenous,in-man	FBCFRM
O=C([O-])C1(OC(=O)/C=C\c2ccc(O)c(O)c2)C[C@H](O)C(O)[C@@H](O)C1	ZINC000013382387	571699744	/nfs/dbraw/zinc/69/97/44/571699744.db2.gz	GWTUHAXUUFROTF-RSSLBQSBSA-N	-1	0	354.311	-0.646	1	10	endogenous,in-man	FBCFRM
O=C(/C=C\c1ccc(O)c(O)c1)OC1(C(=O)[O-])C[C@@H](O)C(O)[C@@H](O)C1	ZINC000013382388	571699680	/nfs/dbraw/zinc/69/96/80/571699680.db2.gz	GWTUHAXUUFROTF-UADYKFKPSA-N	-1	0	354.311	-0.646	1	10	endogenous,in-man	FBCFRM
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC[P@@](=O)([O-])O)O2)c(=O)[nH]c1=O	ZINC000022199196	211339010	/nfs/dbraw/zinc/33/90/10/211339010.db2.gz	NOEYTKCEXDEMEO-IWSPIJDZSA-N	-1	0	361.251	-0.037	1	10		FBCFRM
C[C@]12CC(=O)[C@]3(O)[C@@]4(O1)C(=O)c1cccc(O)c1C(=O)[C@]4(O)CC[C@]3(O)C2	ZINC000053622049	291023745	/nfs/dbraw/zinc/02/37/45/291023745.db2.gz	NGVFPCWSVDEXDQ-RHQZKXFESA-N	-1	0	374.345	-0.351	1	10	biogenic,in-vitro	FBCFRM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c2cccc(O)c2O)C1	ZINC000059585807	291024458	/nfs/dbraw/zinc/02/44/58/291024458.db2.gz	VSHCNEUOTJPEQW-XVJOCAAMSA-N	-1	0	354.311	-0.646	1	10	biogenic,in-vitro	FBCFRM
O=C([O-])[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1	ZINC000085645585	527654887	/nfs/dbraw/zinc/65/48/87/527654887.db2.gz	CWVRJTMFETXNAD-TZZYZSCZSA-N	-1	0	354.311	-0.646	1	10	biogenic,in-vitro	FBCFRM
C[C@]1(CC(=O)Oc2ccc(N)cc2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O	ZINC000169321112	206251203	/nfs/dbraw/zinc/25/12/03/206251203.db2.gz	ZIKKQRQVGZWXFG-ZLDLUXBVSA-N	-1	0	368.367	-0.237	1	10		FBCFRM
O=C([O-])[C@@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)[C@H](O)[C@@H](O)C1	ZINC000255975329	484259265	/nfs/dbraw/zinc/25/92/65/484259265.db2.gz	GWTUHAXUUFROTF-DHLOTTMOSA-N	-1	0	354.311	-0.646	2	10		FBCFRM