smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc(=O)[n-]c(C2(COC)CC2)n1	ZINC000217796927	388381452	/nfs/dbraw/zinc/38/14/52/388381452.db2.gz	GGFXWTHZBOKARV-UHFFFAOYSA-N	-1	3	208.261	1.423	40	70		BDIBHM
CC(C)Sc1nc2c(c(=O)[n-]1)CN(C)CC2	ZINC000216845211	167339381	/nfs/dbraw/zinc/33/93/81/167339381.db2.gz	RFUXIPUZJXVIBU-UHFFFAOYSA-N	-1	3	239.344	1.258	40	70		BDIBHM
CCCc1nc(CCCOC)cc(=O)[n-]1	ZINC000217785823	398324042	/nfs/dbraw/zinc/32/40/42/398324042.db2.gz	LTRORIWQDLXPCX-UHFFFAOYSA-N	-1	3	210.277	1.714	40	70		BDIBHM
COCCCc1cc(=O)[n-]c(C(C)C)n1	ZINC000217785708	174266017	/nfs/dbraw/zinc/26/60/17/174266017.db2.gz	IVBMPDZMIPWVGW-UHFFFAOYSA-N	-1	3	210.277	1.885	40	70		BDIBHM
Cc1cc(=O)[n-]c(C2(COC(C)C)CC2)n1	ZINC000217795775	178203485	/nfs/dbraw/zinc/20/34/85/178203485.db2.gz	KHJVGCSTVMDHSM-UHFFFAOYSA-N	-1	3	222.288	1.947	40	70		BDIBHM
COCCCc1cc(=O)[n-]c(CC(C)C)n1	ZINC000217786054	174265665	/nfs/dbraw/zinc/26/56/65/174265665.db2.gz	MPFQJQGCNMXFSY-UHFFFAOYSA-N	-1	3	224.304	1.960	40	70		BDIBHM
CCOCC1(c2nc(C)cc(=O)[n-]2)CC1	ZINC000217795689	170356675	/nfs/dbraw/zinc/35/66/75/170356675.db2.gz	LPJYWSQUPIGNMC-UHFFFAOYSA-N	-1	3	208.261	1.559	40	70		BDIBHM
CCOCC1(c2nc(CC)cc(=O)[n-]2)CC1	ZINC000217797031	170356912	/nfs/dbraw/zinc/35/69/12/170356912.db2.gz	YZUMUMGDRSVOCT-UHFFFAOYSA-N	-1	3	222.288	1.813	40	70		BDIBHM
COCCCc1cc(=O)[n-]c(CC2CC2)n1	ZINC000217787571	174265867	/nfs/dbraw/zinc/26/58/67/174265867.db2.gz	MNSGOOQJAPEXRV-UHFFFAOYSA-N	-1	3	222.288	1.714	40	70		BDIBHM
COCCCc1cc(=O)[n-]c(C2CC2)n1	ZINC000217786703	174265682	/nfs/dbraw/zinc/26/56/82/174265682.db2.gz	JLNOYBVYDHCYNH-UHFFFAOYSA-N	-1	3	208.261	1.639	40	70		BDIBHM