smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccccc2c([O-])c(-c2[n-][nH]c(=O)c2N=Nc2ccncc2)c1=O	ZINC000100353730	488494172	/nfs/dbraw/zinc/49/41/72/488494172.db2.gz	MRYQTRJYKKCSAE-UHFFFAOYSA-N	-2	1	362.349	0.941	40	30		FCEBML
Cn1c2ccccc2c([O-])c(-c2[n-][nH]c(=O)c2N=Nc2ncccn2)c1=O	ZINC000100353753	488494210	/nfs/dbraw/zinc/49/42/10/488494210.db2.gz	HXSDOWSNBWTVKT-UHFFFAOYSA-N	-2	1	363.337	0.336	40	30		FCEBML
COc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1	ZINC000026893033	487687699	/nfs/dbraw/zinc/68/76/99/487687699.db2.gz	UWHURBUBIHUHSU-UHFFFAOYSA-N	-2	1	367.343	0.602	40	30		FCEBML
COc1nc(C)nc(NC(=O)N=S(=O)([O-])c2ccccc2C(=O)[O-])n1	ZINC000026893033	487687703	/nfs/dbraw/zinc/68/77/03/487687703.db2.gz	UWHURBUBIHUHSU-UHFFFAOYSA-N	-2	1	367.343	0.602	40	30		FCEBML
COC(=O)c1ccccc1S(=O)(=O)N=C([O-])Nc1nc(C)nc(=O)[n-]1	ZINC000034744941	1245294060	/nfs/dbraw/zinc/29/40/60/1245294060.db2.gz	XCRRTPZSEWGCGA-UHFFFAOYSA-N	-2	1	367.343	0.387	40	30		FCEBML
COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Nc1nc(C)nc(=O)[n-]1	ZINC000034744941	1245294062	/nfs/dbraw/zinc/29/40/62/1245294062.db2.gz	XCRRTPZSEWGCGA-UHFFFAOYSA-N	-2	1	367.343	0.387	40	30		FCEBML
COc1nc(C)nc(NC([O-])=NS(=O)(=O)c2ccsc2C(=O)[O-])n1	ZINC000026893049	487687103	/nfs/dbraw/zinc/68/71/03/487687103.db2.gz	LOQQVLXUKHKNIA-UHFFFAOYSA-N	-2	1	373.372	0.663	40	30	in-vitro	FCEBML
Cn1c2ccccc2c([O-])c(-c2[n-][nH]c(=O)c2N=Nc2cccnc2)c1=O	ZINC000100353744	222241347	/nfs/dbraw/zinc/24/13/47/222241347.db2.gz	KQQOUVZFTGNCJL-UHFFFAOYSA-N	-2	1	362.349	0.941	40	30		FCEBML
COc1ccc(NC(=O)C(=Cn2c([O-])cc(=O)[nH]c2=S)C(C)=O)cc1	ZINC000005855406	487491361	/nfs/dbraw/zinc/49/13/61/487491361.db2.gz	LQKYDKVGBCKJFK-XYOKQWHBSA-N	-2	1	361.379	0.740	40	30		FCEBML