smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)=CCC/C(C)=C\C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000100371616	290870472	/nfs/dbraw/zinc/87/04/72/290870472.db2.gz	MPPGIWBJWPIEDY-XFXZXTDPSA-N	-2	0	288.343	3.966	1	30	biogenic,in-vitro	CHEFRL
CSC1=C(c2ccc(O)cc2)C(=O)c2ccc([O-])cc21	ZINC000028475393	581100728	/nfs/dbraw/zinc/10/07/28/581100728.db2.gz	OVFXCANAVHBWGG-UHFFFAOYSA-N	-2	0	284.336	3.525	1	30		CHEFRL
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CCC(=O)[O-]	ZINC000014823426	560226856	/nfs/dbraw/zinc/22/68/56/560226856.db2.gz	UPYAPTSOOPEIMX-IXKJSCDLSA-N	-2	0	294.391	3.715	1	30	biogenic,in-vitro	CHEFRL
CC(C)=CCC/C(C)=C/C(=O)c1cc(C(=O)[O-])ccc1[O-]	ZINC000015120545	560228630	/nfs/dbraw/zinc/22/86/30/560228630.db2.gz	MPPGIWBJWPIEDY-FMIVXFBMSA-N	-2	0	288.343	3.966	1	30	biogenic,in-vitro	CHEFRL