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](O)[C@@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC000169368118	581095790	/nfs/dbraw/zinc/09/57/90/581095790.db2.gz	UGIUMAONBACZQP-DHEICHNQSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@H](O)[C@@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000034804283	581095850	/nfs/dbraw/zinc/09/58/50/581095850.db2.gz	UGIUMAONBACZQP-KHLSURCVSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000034804276	581095866	/nfs/dbraw/zinc/09/58/66/581095866.db2.gz	UGIUMAONBACZQP-UYNHLUSDSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@@]12C[C@H](OS(=O)(=O)[O-])C[C@H]1[C@@H]1CC[C@@H]3CC([O-])=CC(=O)[C@]3(C)[C@H]1CC2	ZINC000012493791	571693916	/nfs/dbraw/zinc/69/39/16/571693916.db2.gz	AWUIWQRSWWITFQ-BWGYWEJQSA-N	-2	0	384.494	3.448	1	30	endogenous,in-man	GGEFRL
C[C@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC000299809891	581095760	/nfs/dbraw/zinc/09/57/60/581095760.db2.gz	UGIUMAONBACZQP-MUIHSYOGSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@H](O)[C@@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000026731572	581095843	/nfs/dbraw/zinc/09/58/43/581095843.db2.gz	UGIUMAONBACZQP-LFIIZFESSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@H](O)[C@@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC000169368119	581095829	/nfs/dbraw/zinc/09/58/29/581095829.db2.gz	UGIUMAONBACZQP-SHHFMVBBSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000026731579	581095855	/nfs/dbraw/zinc/09/58/55/581095855.db2.gz	UGIUMAONBACZQP-UNZYPMKGSA-N	-2	0	391.464	3.095	1	30		GGEFRL
CC(C)(C)O/N=C(\c1cc(Br)c(F)cc1[O-])c1c([O-])ccc[n+]1[O-]	ZINC000029402293	207361640	/nfs/dbraw/zinc/36/16/40/207361640.db2.gz	GAKCGCUQRWNQDR-XMHGGMMESA-N	-2	0	399.216	3.200	1	30		GGEFRL
C[C@@]12C[C@H](OS(=O)(=O)[O-])C[C@H]1[C@@H]1CC[C@H]3CC([O-])=CC(=O)[C@]3(C)[C@H]1CC2	ZINC000118913661	571843814	/nfs/dbraw/zinc/84/38/14/571843814.db2.gz	AWUIWQRSWWITFQ-FALLLSTISA-N	-2	0	384.494	3.448	1	30	endogenous,in-man	GGEFRL
C[C@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC000169368121	581095771	/nfs/dbraw/zinc/09/57/71/581095771.db2.gz	UGIUMAONBACZQP-MBXGIMRQSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@@H]12)C(=O)[O-]	ZINC000169368120	581095788	/nfs/dbraw/zinc/09/57/88/581095788.db2.gz	UGIUMAONBACZQP-CHUVKBJNSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000034804279	581095793	/nfs/dbraw/zinc/09/57/93/581095793.db2.gz	UGIUMAONBACZQP-ALOGGDSTSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@@H](O)[C@@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000034804285	581095784	/nfs/dbraw/zinc/09/57/84/581095784.db2.gz	UGIUMAONBACZQP-VBGAQSJDSA-N	-2	0	391.464	3.095	1	30		GGEFRL
C[C@@H](O)[C@H](NC1C([O-])=CC(=O)C(=O)C1=C[C@@H]1CCC[C@@H]2CCCC[C@H]12)C(=O)[O-]	ZINC000026731575	581095859	/nfs/dbraw/zinc/09/58/59/581095859.db2.gz	UGIUMAONBACZQP-CUCMXJBPSA-N	-2	0	391.464	3.095	1	30		GGEFRL