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-])C1=CC(=CC=[NH+][C@@H](Cc2ccc(O)c(O)c2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000100204071	571802673	/nfs/dbraw/zinc/80/26/73/571802673.db2.gz	YSNPSKZBOQYUHH-AFUNOPLTSA-N	-2	0	390.348	0.506	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)[O-])CC[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100778360	571827732	/nfs/dbraw/zinc/82/77/32/571827732.db2.gz	LKLDZCIWUDJQCF-ULTQKCCBSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c(O)cc3C[C@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000043769556	571764743	/nfs/dbraw/zinc/76/47/43/571764743.db2.gz	XHJKHSXHWJCBLX-YPMHNXCESA-O	-2	0	389.340	0.163	1	30	endogenous,in-man	GCEFRL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c(O)cc3C[C@@H]2C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000071756651	571780365	/nfs/dbraw/zinc/78/03/65/571780365.db2.gz	XHJKHSXHWJCBLX-WCQYABFASA-O	-2	0	389.340	0.163	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100778368	571827703	/nfs/dbraw/zinc/82/77/03/571827703.db2.gz	FQTLNSKVFLETSS-KEBRQDRUSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@H]3C(=O)[O-]	ZINC000100778373	571827706	/nfs/dbraw/zinc/82/77/06/571827706.db2.gz	FQTLNSKVFLETSS-FXBWMULLSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100778370	571827708	/nfs/dbraw/zinc/82/77/08/571827708.db2.gz	FQTLNSKVFLETSS-PRCHZZHGSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)[O-])C[C@@H](O)[C@H](O)[C@](C)(C(=O)[O-])[C@H]1[C@H]3C(=O)[O-]	ZINC000100778374	571827714	/nfs/dbraw/zinc/82/77/14/571827714.db2.gz	FQTLNSKVFLETSS-UIIGXMJISA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
N#Cc1nc(CNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc1N	ZINC000027523198	207325686	/nfs/dbraw/zinc/32/56/86/207325686.db2.gz	ZZNNISDVNKTZAO-ZDUSSCGKSA-N	-2	0	398.379	0.590	1	30		GCEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)[O-])CC[C@H](O)[C@](C)(C(=O)[O-])[C@@H]1[C@H]3C(=O)[O-]	ZINC000100778362	571827693	/nfs/dbraw/zinc/82/76/93/571827693.db2.gz	LKLDZCIWUDJQCF-RIIQQYSRSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
O=C([O-])C1=CC(=CC=[N+]2c3cc(O)c(O)cc3C[C@@H]2C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000001531169	206386330	/nfs/dbraw/zinc/38/63/30/206386330.db2.gz	XHJKHSXHWJCBLX-DGCLKSJQSA-O	-2	0	389.340	0.163	1	30	endogenous,in-man	GCEFRL
N#Cc1nc(CNc2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)cnc1N	ZINC000027523199	221653557	/nfs/dbraw/zinc/65/35/57/221653557.db2.gz	ZZNNISDVNKTZAO-CYBMUJFWSA-N	-2	0	398.379	0.590	1	30		GCEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)[O-])CC[C@H](O)[C@@](C)(C(=O)[O-])[C@H]1[C@H]3C(=O)[O-]	ZINC000100778364	571827672	/nfs/dbraw/zinc/82/76/72/571827672.db2.gz	LKLDZCIWUDJQCF-JEEFPKFSSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)[O-])CC[C@H](O)[C@](C)(C(=O)[O-])[C@H]1[C@H]3C(=O)[O-]	ZINC000100778365	571827724	/nfs/dbraw/zinc/82/77/24/571827724.db2.gz	LKLDZCIWUDJQCF-RTFLVCIGSA-N	-3	0	394.420	0.967	1	30	endogenous,in-man	GCEFRL