smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(CCOc1ccccc1)[N-]c1cnn(CC2CCOCC2)c1	ZINC000218247481	548686797	/nfs/dbraw/zinc/68/67/97/548686797.db2.gz	CKCMKYFNPRDUQP-UHFFFAOYSA-N	-1	1	365.455	2.130	50	70		FEIAMM
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc1	ZINC000218311214	525177008	/nfs/dbraw/zinc/17/70/08/525177008.db2.gz	BEYKLGVGILYIFF-MRXNPFEDSA-N	-1	1	351.406	2.310	50	70		FEIAMM
Cc1nn(C)cc1CNC(=O)c1cnc(SCc2ccccc2)[n-]c1=O	ZINC000217194183	527692877	/nfs/dbraw/zinc/69/28/77/527692877.db2.gz	SYPFBQKEDRRPAV-UHFFFAOYSA-N	-1	1	369.450	2.446	50	70		FEIAMM
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc([O-])c(Cl)c1	ZINC000217683302	548681904	/nfs/dbraw/zinc/68/19/04/548681904.db2.gz	IPVXBPVMWLRVFM-VIFPVBQESA-N	-1	1	363.753	2.352	50	70		FEIAMM
Cc1nnc(CN(C)C(=O)c2cnc(SCc3ccccc3)[n-]c2=O)o1	ZINC000217510692	526331722	/nfs/dbraw/zinc/33/17/22/526331722.db2.gz	RJKZBYNMISAFKT-UHFFFAOYSA-N	-1	1	371.422	2.438	50	70		FEIAMM
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](CO)c1ccccc1	ZINC000217781066	525965479	/nfs/dbraw/zinc/96/54/79/525965479.db2.gz	FKMFEMGFODOSGE-QGZVFWFLSA-N	-1	1	353.374	2.199	50	70		FEIAMM
CCCCc1cc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)n[nH]1	ZINC000159962025	545996085	/nfs/dbraw/zinc/99/60/85/545996085.db2.gz	IIEJZXSTUMDKRQ-UHFFFAOYSA-N	-1	1	365.459	2.117	50	70		FEIAMM
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc([O-])c(Cl)c1	ZINC000217683222	548682199	/nfs/dbraw/zinc/68/21/99/548682199.db2.gz	IPVXBPVMWLRVFM-SECBINFHSA-N	-1	1	363.753	2.352	50	70		FEIAMM
Cc1nc2ccccn2c1CN(C)C(=O)[C@@H](C)Sc1nc(C)cc(=O)[n-]1	ZINC000218268315	527175420	/nfs/dbraw/zinc/17/54/20/527175420.db2.gz	XWOLYWGRHCHVGI-CYBMUJFWSA-N	-1	1	371.466	2.174	50	70		FEIAMM
Cc1nc2ccccn2c1CN(C)C(=O)[C@H](C)Sc1nc(C)cc(=O)[n-]1	ZINC000218268364	527176337	/nfs/dbraw/zinc/17/63/37/527176337.db2.gz	XWOLYWGRHCHVGI-ZDUSSCGKSA-N	-1	1	371.466	2.174	50	70		FEIAMM
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccccc3)[n-][nH]c2=O)cc1	ZINC000218311159	525349678	/nfs/dbraw/zinc/34/96/78/525349678.db2.gz	BEYKLGVGILYIFF-INIZCTEOSA-N	-1	1	351.406	2.310	50	70		FEIAMM