smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC1CCCCC1)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000217574887	570318605	/nfs/dbraw/zinc/31/86/05/570318605.db2.gz	LBOJVXYZSLQQDI-SVMVAKDDSA-N	0	1	397.563	3.072	40	70		GGIBMN
Cn1c(CN2CCCCC2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2	ZINC000218065330	209184710	/nfs/dbraw/zinc/18/47/10/209184710.db2.gz	PXGOLLVPXHZCGR-MBSDFSHPSA-N	0	1	387.568	3.477	40	70		GGIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1	ZINC000216948336	211746834	/nfs/dbraw/zinc/74/68/34/211746834.db2.gz	YKQGZDUXTGNJMY-UHFFFAOYSA-N	0	1	379.913	3.034	40	70		GGIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccccc3Cl)cc2)CC1	ZINC000216948059	565897507	/nfs/dbraw/zinc/89/75/07/565897507.db2.gz	ZLCWZLOIUXEHCX-UHFFFAOYSA-N	0	1	379.913	3.034	40	70		GGIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3cccc(Cl)c3)cc2)CC1	ZINC000216948200	565897337	/nfs/dbraw/zinc/89/73/37/565897337.db2.gz	RDAANLVPEIDQJB-UHFFFAOYSA-N	0	1	379.913	3.034	40	70		GGIBMN
Cc1[nH]c2cc(C)ccc2c1C(=O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217407509	570315959	/nfs/dbraw/zinc/31/59/59/570315959.db2.gz	HRMQEOCUSMGTOV-DLBZAZTESA-N	0	1	375.472	3.248	40	70		GGIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3c(F)cccc3Cl)cc2)CC1	ZINC000216948697	570310405	/nfs/dbraw/zinc/31/04/05/570310405.db2.gz	YWHKRGDWIOQXEL-UHFFFAOYSA-N	0	1	397.903	3.173	40	70		GGIBMN