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-])CCC(=O)C1=CC=C[C@@H](O)[C@H]1C(=O)[O-]	ZINC000004096916	574412219	/nfs/dbraw/zinc/41/22/19/574412219.db2.gz	QJYRAJSESKVEAE-SCZZXKLOSA-N	-2	0	240.211	-0.022	1	30	endogenous,in-vitro	BBEFRL
O=C([O-])CCC(=O)C1=CC=C[C@H](O)[C@@H]1C(=O)[O-]	ZINC000006760898	574412738	/nfs/dbraw/zinc/41/27/38/574412738.db2.gz	QJYRAJSESKVEAE-WCBMZHEXSA-N	-2	0	240.211	-0.022	1	30	endogenous,in-vitro	BBEFRL
O=C([O-])CCC(=O)C1=CC=C[C@H](O)[C@H]1C(=O)[O-]	ZINC000006760899	574412736	/nfs/dbraw/zinc/41/27/36/574412736.db2.gz	QJYRAJSESKVEAE-WPRPVWTQSA-N	-2	0	240.211	-0.022	1	30	endogenous,in-vitro	BBEFRL
CC(C)(S)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000013600061	187251335	/nfs/dbraw/zinc/25/13/35/187251335.db2.gz	BJJHUVFCLDLXGC-BYPYZUCNSA-N	-2	0	235.261	-0.261	1	30		BBEFRL
O=C([O-])CCC(=O)N[C@@H](CS)C(=O)[O-]	ZINC000069488563	574416429	/nfs/dbraw/zinc/41/64/29/574416429.db2.gz	WVZNOFFXSULJDI-BYPYZUCNSA-N	-2	0	221.234	-0.650	1	30	endogenous,in-vitro	BBEFRL
O=C([O-])CCC(=O)N[C@H](CS)C(=O)[O-]	ZINC000069488566	574416434	/nfs/dbraw/zinc/41/64/34/574416434.db2.gz	WVZNOFFXSULJDI-SCSAIBSYSA-N	-2	0	221.234	-0.650	1	30	endogenous,in-vitro	BBEFRL
CN(O)C(=O)CC[C@@H](CC(=O)C(=O)[O-])C(=O)[O-]	ZINC000095597621	172941408	/nfs/dbraw/zinc/94/14/08/172941408.db2.gz	AGYKEIBLJIJNRC-YFKPBYRVSA-N	-2	0	247.203	-0.641	1	30		BBEFRL
N#CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000103209322	188323371	/nfs/dbraw/zinc/32/33/71/188323371.db2.gz	BOMYLACKMKPNJD-UHFFFAOYSA-N	-2	0	217.010	-0.264	1	30		BBEFRL
C#CCOP(=O)([O-])C[P@](=O)([O-])O	ZINC000103209327	188051579	/nfs/dbraw/zinc/05/15/79/188051579.db2.gz	DLMJCZURYBEZIE-UHFFFAOYSA-N	-2	0	214.050	-0.043	1	30		BBEFRL