smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(O)c([C@@H]2c3ccc(O)c(O)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000002295113	569268150	/nfs/dbraw/zinc/26/81/50/569268150.db2.gz	NBCASSDIRCLJDP-VIFPVBQESA-N	0	2	430.373	-0.601	50	10		IBCALN
Cn1c(O)c([C@H]2c3ccc(O)c(O)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000002295114	569268156	/nfs/dbraw/zinc/26/81/56/569268156.db2.gz	NBCASSDIRCLJDP-SECBINFHSA-N	0	2	430.373	-0.601	50	10		IBCALN
O=c1[nH]c(=S)[nH]c(O)c1C=Nc1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1O	ZINC000095471016	569371840	/nfs/dbraw/zinc/37/18/40/569371840.db2.gz	ZVSANMZDQMKDPP-UHFFFAOYSA-N	0	2	432.443	-0.954	50	10		IBCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@H](O)[C@H]3O)C2=O)cc1	ZINC000253487774	569283020	/nfs/dbraw/zinc/28/30/20/569283020.db2.gz	QBDUZKIFDIEYBR-NZOMSPKZSA-N	0	2	435.433	-0.494	50	10		IBCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@H](O)[C@@H]3O)C2=O)cc1	ZINC000253487775	569283046	/nfs/dbraw/zinc/28/30/46/569283046.db2.gz	QBDUZKIFDIEYBR-PWULRWRZSA-N	0	2	435.433	-0.494	50	10		IBCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C2=O)cc1	ZINC000253487776	569283076	/nfs/dbraw/zinc/28/30/76/569283076.db2.gz	QBDUZKIFDIEYBR-SSRJYMNBSA-N	0	2	435.433	-0.494	50	10		IBCALN
CC(C)c1ccc(N2C(=O)NC(=O)C(=CN[C@@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@H]3O)C2=O)cc1	ZINC000253487777	569283078	/nfs/dbraw/zinc/28/30/78/569283078.db2.gz	QBDUZKIFDIEYBR-ULLCQJDASA-N	0	2	435.433	-0.494	50	10		IBCALN