smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Br)cc(CN=Nc2nn[nH]n2)cc1Br	ZINC000100949459	525217382	/nfs/dbraw/zinc/21/73/82/525217382.db2.gz	CKZDWLJGPRACOW-QDEBKDIKSA-N	-1	2	361.985	1.876	40	30		FDEBLM
O=C([O-])c1ccc(S(=O)(=O)N=C(O)NN2C[C@@H]3CCC[C@@H]3C2)cc1	ZINC000077285350	523285314	/nfs/dbraw/zinc/28/53/14/523285314.db2.gz	DSNDPTBTZSQWJS-TXEJJXNPSA-N	-1	2	353.400	1.224	40	30	in-vitro	FDEBLM
O=C([O-])c1ccc(S(=O)(=O)N=C(O)NN2C[C@H]3CCC[C@@H]3C2)cc1	ZINC000077285352	523284277	/nfs/dbraw/zinc/28/42/77/523284277.db2.gz	DSNDPTBTZSQWJS-VXGBXAGGSA-N	-1	2	353.400	1.224	40	30	in-vitro	FDEBLM
O=C([O-])c1ccc(S(=O)(=O)N=C(O)NN2C[C@@H]3CCC[C@H]3C2)cc1	ZINC000077285355	523283575	/nfs/dbraw/zinc/28/35/75/523283575.db2.gz	DSNDPTBTZSQWJS-RYUDHWBXSA-N	-1	2	353.400	1.224	40	30	in-vitro	FDEBLM
C=CC(c1c([O-])c2cccnc2[nH]c1=O)c1c(O)c2cccnc2[nH]c1=O	ZINC000006158394	518363713	/nfs/dbraw/zinc/36/37/13/518363713.db2.gz	XMLKKYGZKHMNRF-UHFFFAOYSA-N	-1	2	362.345	1.889	40	30		FDEBLM
[O-]c1c(Br)cc(CN=Nc2nn[nH]n2)cc1Br	ZINC000100949455	222257305	/nfs/dbraw/zinc/25/73/05/222257305.db2.gz	CKZDWLJGPRACOW-JYOAFUTRSA-N	-1	2	361.985	1.876	40	30		FDEBLM
O=c1nc2nc(NN=Cc3ccc(Cl)cc3Cl)[n-]nc-2c(=O)[nH]1	ZINC000031939392	519470336	/nfs/dbraw/zinc/47/03/36/519470336.db2.gz	CEGROQMNTDDAII-TVPGTPATSA-N	-1	2	352.141	1.567	40	30		FDEBLM