smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCCc1cc(=O)[n-]c(CC2CCCC2)n1	ZINC000217787809	394456185	/nfs/dbraw/zinc/45/61/85/394456185.db2.gz	SSVWSWPPXLKHSU-UHFFFAOYSA-N	-1	3	250.342	2.494	40	70		CEIBHM
CN1CCc2nc(-c3cccc(Cl)c3)[n-]c(=O)c2C1	ZINC000216845452	262341365	/nfs/dbraw/zinc/34/13/65/262341365.db2.gz	FRGZGBPBOWGWNT-UHFFFAOYSA-N	-1	3	275.739	2.078	40	70		CEIBHM
COCCCc1cc(=O)[n-]c(Cc2ccccc2)n1	ZINC000217787925	394456175	/nfs/dbraw/zinc/45/61/75/394456175.db2.gz	SYCUAKOBQZWSCG-UHFFFAOYSA-N	-1	3	258.321	2.352	40	70		CEIBHM
CCc1cc(=O)[n-]c(C2(COCC(C)C)CC2)n1	ZINC000217797358	394456220	/nfs/dbraw/zinc/45/62/20/394456220.db2.gz	UIJRBPHGKJSGCY-UHFFFAOYSA-N	-1	3	250.342	2.449	40	70		CEIBHM