smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)c1nc(CCCOC)cc(=O)[n-]1	ZINC000217787132	388381531	/nfs/dbraw/zinc/38/15/31/388381531.db2.gz	ZZUMQOJAHMBHHL-SECBINFHSA-N	-1	3	224.304	2.275	40	70		BEIBHM
FC(F)c1nnc(SCc2cccnc2)[n-]1	ZINC000216903141	387637545	/nfs/dbraw/zinc/63/75/45/387637545.db2.gz	UPYIDYNGDOKASZ-UHFFFAOYSA-N	-1	3	242.254	2.430	40	70		BEIBHM
FC(F)c1n[n-]c(SCc2cccnc2)n1	ZINC000216903141	387637550	/nfs/dbraw/zinc/63/75/50/387637550.db2.gz	UPYIDYNGDOKASZ-UHFFFAOYSA-N	-1	3	242.254	2.430	40	70		BEIBHM
FC(F)c1nc(SCc2cccnc2)n[n-]1	ZINC000216903141	387637554	/nfs/dbraw/zinc/63/75/54/387637554.db2.gz	UPYIDYNGDOKASZ-UHFFFAOYSA-N	-1	3	242.254	2.430	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(C2CCCC2)n1	ZINC000217787334	174265554	/nfs/dbraw/zinc/26/55/54/174265554.db2.gz	ZBYQQBGYRGLTEF-UHFFFAOYSA-N	-1	3	236.315	2.419	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(CC2CCC2)n1	ZINC000217787697	174265738	/nfs/dbraw/zinc/26/57/38/174265738.db2.gz	SCEIKEOTOJXJOP-UHFFFAOYSA-N	-1	3	236.315	2.104	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(C(C)(C)C)n1	ZINC000217786909	174265356	/nfs/dbraw/zinc/26/53/56/174265356.db2.gz	PYBBNGGNISJNLT-UHFFFAOYSA-N	-1	3	224.304	2.059	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(CCC(C)C)n1	ZINC000217786578	174265903	/nfs/dbraw/zinc/26/59/03/174265903.db2.gz	YDMHKLCZNDLRGR-UHFFFAOYSA-N	-1	3	238.331	2.350	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(C2CCC2)n1	ZINC000217787460	174265326	/nfs/dbraw/zinc/26/53/26/174265326.db2.gz	FRQAEEKEFCUCKF-UHFFFAOYSA-N	-1	3	222.288	2.029	40	70		BEIBHM
CCCCc1nc(CCCOC)cc(=O)[n-]1	ZINC000217785946	169025344	/nfs/dbraw/zinc/02/53/44/169025344.db2.gz	WOFFMGXMNFKNRF-UHFFFAOYSA-N	-1	3	224.304	2.104	40	70		BEIBHM
CCCCCc1nc(CCCOC)cc(=O)[n-]1	ZINC000217787013	388381754	/nfs/dbraw/zinc/38/17/54/388381754.db2.gz	DTSHSMQXPYUZBS-UHFFFAOYSA-N	-1	3	238.331	2.494	40	70		BEIBHM
COCCCc1cc(=O)[n-]c(-c2ccccc2)n1	ZINC000217788027	174265981	/nfs/dbraw/zinc/26/59/81/174265981.db2.gz	QJDKWPPQCPAHGK-UHFFFAOYSA-N	-1	3	244.294	2.428	40	70		BEIBHM
CC[C@H](C)c1nc(CCCOC)cc(=O)[n-]1	ZINC000217787227	388381485	/nfs/dbraw/zinc/38/14/85/388381485.db2.gz	ZZUMQOJAHMBHHL-VIFPVBQESA-N	-1	3	224.304	2.275	40	70		BEIBHM
CCc1cc(=O)[n-]c(C2(COCC3CC3)CC2)n1	ZINC000217797480	388382083	/nfs/dbraw/zinc/38/20/83/388382083.db2.gz	MAECXRNKRHQIOW-UHFFFAOYSA-N	-1	3	248.326	2.203	40	70		BEIBHM
CCCOCC1(c2nc(CC)cc(=O)[n-]2)CC1	ZINC000217797143	388381892	/nfs/dbraw/zinc/38/18/92/388381892.db2.gz	BFTKJAVLQPMKCJ-UHFFFAOYSA-N	-1	3	236.315	2.203	40	70		BEIBHM