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-])c1c(F)c([O-])cc(F)c1F	98175178	169355463	/nfs/dbraw/zinc/35/54/63/169355463.db2.gz	DTCRYTBGDCDNOY-UHFFFAOYSA-N	-2	1	192.092	1.508	40	0		ADABML
O=C([O-])c1cc([O-])c(F)c(F)c1F	95101162	169356543	/nfs/dbraw/zinc/35/65/43/169356543.db2.gz	SKYWKENXVVPEQG-UHFFFAOYSA-N	-2	1	192.092	1.508	40	0		ADABML
O=C([O-])c1cc(F)cc([O-])c1F	39127974	169356935	/nfs/dbraw/zinc/35/69/35/169356935.db2.gz	XJDCFHNMGQTJBU-UHFFFAOYSA-N	-2	1	174.102	1.369	40	0		ADABML
O=C([O-])c1ccc([O-])c(Cl)c1F	36372721	169358161	/nfs/dbraw/zinc/35/81/61/169358161.db2.gz	DQHFMFNAWOVOLE-UHFFFAOYSA-N	-2	1	190.557	1.883	40	0		ADABML
O=C([O-])Cc1ccc(Cl)c([O-])c1	33605058	171051649	/nfs/dbraw/zinc/05/16/49/171051649.db2.gz	RJTRVMKQVDAYDG-UHFFFAOYSA-N	-2	1	186.594	1.673	40	0		ADABML
O=C([O-])Cc1cc(F)c([O-])cc1F	82887914	171087651	/nfs/dbraw/zinc/08/76/51/171087651.db2.gz	QXPWDWRPBGPWBU-UHFFFAOYSA-N	-2	1	188.129	1.298	40	0		ADABML
O=C([O-])Cc1ccc([O-])c(F)c1F	21985514	171213672	/nfs/dbraw/zinc/21/36/72/171213672.db2.gz	SOOXGYAIUAHLKC-UHFFFAOYSA-N	-2	1	188.129	1.298	40	0		ADABML
O=C([O-])CC(=O)c1ccc([O-])cc1	13542022	351370301	/nfs/dbraw/zinc/37/03/01/351370301.db2.gz	HRXAQVGNCWFWTL-UHFFFAOYSA-N	-2	1	180.159	1.050	40	0	in-vitro	ADABML
O=C([O-])c1cc2[n-]cnc(Cl)c-2n1	575631039	352869173	/nfs/dbraw/zinc/86/91/73/352869173.db2.gz	KVLMVWTWKAUYJF-UHFFFAOYSA-N	-2	1	197.581	1.310	40	0		ADABML