smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)Nc2cnc(N3CC[NH+](Cc4ccccc4F)CC3)c(C(=O)[O-])c2)cc1	ZINC000064979047	569078046	/nfs/dbraw/zinc/07/80/46/569078046.db2.gz	YBPNKWDIRHINGM-UHFFFAOYSA-N	0	2	448.498	3.802	10	0		IHAELN
CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1	ZINC000022854393	521533701	/nfs/dbraw/zinc/53/37/01/521533701.db2.gz	UZDYJEZUYAIXJZ-UHFFFAOYSA-N	0	2	430.917	3.951	10	0		IHAELN
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCCC[C@H]1CO	ZINC000242302108	557847507	/nfs/dbraw/zinc/84/75/07/557847507.db2.gz	YPOMCYSBDAUSMZ-YJBOKZPZSA-N	0	2	435.521	3.608	10	0		IHAELN
COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000003929313	562939418	/nfs/dbraw/zinc/93/94/18/562939418.db2.gz	NFFXEUUOMTXWCX-MRXNPFEDSA-N	0	2	438.427	3.538	10	0	in-vitro	IHAELN
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCCC[C@H]1CO	ZINC000242302106	557847525	/nfs/dbraw/zinc/84/75/25/557847525.db2.gz	YPOMCYSBDAUSMZ-MAUKXSAKSA-N	0	2	435.521	3.608	10	0		IHAELN
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N[C@@H]1CCCC[C@@H]1CO	ZINC000242302105	557847563	/nfs/dbraw/zinc/84/75/63/557847563.db2.gz	YPOMCYSBDAUSMZ-CRAIPNDOSA-N	0	2	435.521	3.608	10	0		IHAELN
O=C([O-])c1cc(NC(=O)c2cccs2)cnc1N1CC[NH+](Cc2ccccc2F)CC1	ZINC000064979058	569078036	/nfs/dbraw/zinc/07/80/36/569078036.db2.gz	TYCALKUHTRUNAH-UHFFFAOYSA-N	0	2	440.500	3.555	10	0		IHAELN
O=C(NC1CC1)C1(c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)CC1	ZINC000033115513	556555555	/nfs/dbraw/zinc/55/55/55/556555555.db2.gz	QLTFJFHGJJHKTH-UHFFFAOYSA-N	0	2	441.372	3.622	10	0		IHAELN
O=S(=O)(Nc1cccc(-c2nnc(Cc3ccc4c(c3)OCO4)o2)c1)c1cccs1	ZINC000021358758	527251856	/nfs/dbraw/zinc/25/18/56/527251856.db2.gz	RAXQLUXIVVVJLD-UHFFFAOYSA-N	0	2	441.490	3.918	10	0		IHAELN
Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N[C@H]1CCCC[C@@H]1CO	ZINC000242302107	557847542	/nfs/dbraw/zinc/84/75/42/557847542.db2.gz	YPOMCYSBDAUSMZ-QAPCUYQASA-N	0	2	435.521	3.608	10	0		IHAELN
COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1	ZINC000001486389	555701928	/nfs/dbraw/zinc/70/19/28/555701928.db2.gz	NFFXEUUOMTXWCX-INIZCTEOSA-N	0	2	438.427	3.538	10	0	in-vitro	IHAELN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)n1	ZINC000073295863	563172071	/nfs/dbraw/zinc/17/20/71/563172071.db2.gz	HVJIRUFTZGFRCV-UHFFFAOYSA-N	0	2	432.889	3.506	10	0		IHAELN