smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
FC(F)(F)c1nnc(SCc2cccnc2)[n-]1	ZINC000216861173	382784816	/nfs/dbraw/zinc/78/48/16/382784816.db2.gz	VZBWNQAIBBPVEZ-UHFFFAOYSA-N	-1	3	260.244	2.511	40	70		CFIBHM
FC(F)(F)c1n[n-]c(SCc2cccnc2)n1	ZINC000216861173	382784818	/nfs/dbraw/zinc/78/48/18/382784818.db2.gz	VZBWNQAIBBPVEZ-UHFFFAOYSA-N	-1	3	260.244	2.511	40	70		CFIBHM
FC(F)(F)c1nc(SCc2cccnc2)n[n-]1	ZINC000216861173	382784820	/nfs/dbraw/zinc/78/48/20/382784820.db2.gz	VZBWNQAIBBPVEZ-UHFFFAOYSA-N	-1	3	260.244	2.511	40	70		CFIBHM
COCCCc1cc(=O)[n-]c(-c2ccc(C)cc2)n1	ZINC000217788128	333123802	/nfs/dbraw/zinc/12/38/02/333123802.db2.gz	XCRQEUGXHROQFL-UHFFFAOYSA-N	-1	3	258.321	2.737	40	70		CFIBHM
COCCCc1cc(=O)[n-]c(-c2ccccc2C)n1	ZINC000217788348	382787768	/nfs/dbraw/zinc/78/77/68/382787768.db2.gz	UDESGAWTOZOMLD-UHFFFAOYSA-N	-1	3	258.321	2.737	40	70		CFIBHM
CCCCOCC1(c2nc(CC)cc(=O)[n-]2)CC1	ZINC000217797240	333123883	/nfs/dbraw/zinc/12/38/83/333123883.db2.gz	FERDAVPRDGYAIJ-UHFFFAOYSA-N	-1	3	250.342	2.593	40	70		CFIBHM
COCCCc1cc(=O)[n-]c(-c2ccc(F)cc2)n1	ZINC000217788703	382788050	/nfs/dbraw/zinc/78/80/50/382788050.db2.gz	GJRKPKBNPDETTE-UHFFFAOYSA-N	-1	3	262.284	2.567	40	70		CFIBHM
CCc1cc(=O)[n-]c(C2(COCC(C)(C)C)CC2)n1	ZINC000217797753	382787988	/nfs/dbraw/zinc/78/79/88/382787988.db2.gz	FCNJMYCCUXJPID-UHFFFAOYSA-N	-1	3	264.369	2.839	40	70		CFIBHM
CCc1cc(=O)[n-]c(C2(COCC3CCC3)CC2)n1	ZINC000217797613	333123902	/nfs/dbraw/zinc/12/39/02/333123902.db2.gz	MDPSKPIUJPNHIS-UHFFFAOYSA-N	-1	3	262.353	2.593	40	70		CFIBHM
COCCCc1cc(=O)[n-]c(-c2cccc(C)c2)n1	ZINC000217788247	382787801	/nfs/dbraw/zinc/78/78/01/382787801.db2.gz	QTVIOADRAHXYKZ-UHFFFAOYSA-N	-1	3	258.321	2.737	40	70		CFIBHM