smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc(NC(=O)c2cc(=O)[n-]cn2)c1	ZINC000217792571	527369467	/nfs/dbraw/zinc/36/94/67/527369467.db2.gz	YTWZGISSCOIJNZ-UHFFFAOYSA-N	-1	3	257.249	1.225	40	70		CDIBHM
COc1ccc(-c2nc3c(c(=O)[n-]2)CN(C)CC3)cc1	ZINC000216845532	262341054	/nfs/dbraw/zinc/34/10/54/262341054.db2.gz	HDPDRLKQYMHLHY-UHFFFAOYSA-N	-1	3	271.320	1.433	40	70		CDIBHM
COc1cccc(-c2nc3c(c(=O)[n-]2)CN(C)CC3)c1	ZINC000216845574	262341153	/nfs/dbraw/zinc/34/11/53/262341153.db2.gz	MQCPLUNCFORJIL-UHFFFAOYSA-N	-1	3	271.320	1.433	40	70		CDIBHM
CN1CCc2nc(-c3ccccc3F)[n-]c(=O)c2C1	ZINC000216845493	262341225	/nfs/dbraw/zinc/34/12/25/262341225.db2.gz	SJTWOCHSPHNGNL-UHFFFAOYSA-N	-1	3	259.284	1.564	40	70		CDIBHM
CN1CCc2nc(Cc3ccccc3)[n-]c(=O)c2C1	ZINC000216845247	262341086	/nfs/dbraw/zinc/34/10/86/262341086.db2.gz	UJXXOGFUKSQLOU-UHFFFAOYSA-N	-1	3	255.321	1.349	40	70		CDIBHM
COc1ccc(NC(=O)c2cc(=O)[n-]cn2)c(OC)c1	ZINC000217792459	534167344	/nfs/dbraw/zinc/16/73/44/534167344.db2.gz	VGYBSXNAUMIEPQ-UHFFFAOYSA-N	-1	3	275.264	1.039	40	70		CDIBHM