smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc(SCC(C)C)c(Cl)c1O	ZINC000096510988	567897875	/nfs/dbraw/zinc/89/78/75/567897875.db2.gz	UCIRQGJPTWOVMU-UHFFFAOYSA-N	0	2	280.798	3.642	40	10		CHCBLN
CCc1ccc2ncc3c(O)c(C(=O)OC)sc3c2c1	ZINC000062719701	524060740	/nfs/dbraw/zinc/06/07/40/524060740.db2.gz	LHQUYOFBOFFONC-UHFFFAOYSA-N	0	2	287.340	3.504	40	10		CHCBLN
Cc1c(N=Nc2ccccc2)c(=O)[nH]n1-c1ccccc1	ZINC000016980187	570225954	/nfs/dbraw/zinc/22/59/54/570225954.db2.gz	JTQLRUKDOAKGDM-ZCXUNETKSA-N	0	2	278.315	3.889	40	10		CHCBLN
CCCc1ccc(C(O)=C2C(=O)c3ccccc3C2=O)cc1	ZINC000105629262	528613554	/nfs/dbraw/zinc/61/35/54/528613554.db2.gz	SBUWQOMEVBEOAF-UHFFFAOYSA-N	0	2	292.334	3.517	40	10		CHCBLN
Cc1c(N=Nc2ccccc2)c(=O)[nH]n1-c1ccccc1	ZINC000100486113	567913286	/nfs/dbraw/zinc/91/32/86/567913286.db2.gz	JTQLRUKDOAKGDM-ISLYRVAYSA-N	0	2	278.315	3.889	40	10		CHCBLN
CCc1cccc2c3sc(C(=O)OC)c(O)c3cnc12	ZINC000064874805	570392953	/nfs/dbraw/zinc/39/29/53/570392953.db2.gz	NQTAWXHDYYPKJZ-UHFFFAOYSA-N	0	2	287.340	3.504	40	10		CHCBLN