smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)C(=Nc2nonc2N=C2C(=O)[N-]C(=O)NC2=O)C(=O)N1	ZINC000001854158	374626394	/nfs/dbraw/zinc/62/63/94/374626394.db2.gz	ITWPJIMUZAKXLX-UHFFFAOYSA-N	-2	3	348.191	-3.053	50	30		EAEAHL
Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000008636974	374247646	/nfs/dbraw/zinc/24/76/46/374247646.db2.gz	BETBIKCJYWBSKI-UHFFFAOYSA-N	-2	3	348.279	-2.895	50	30		EAEAHL
Cn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000009329398	375250032	/nfs/dbraw/zinc/25/00/32/375250032.db2.gz	VKPTVOQEVHZWNJ-UHFFFAOYSA-N	-2	3	334.252	-2.906	50	30		EAEAHL
Cn1c2nc(N=Nc3c([O-])nc([O-])[nH]c3=O)[n-]c2c(=O)n(C)c1=O	ZINC000012320987	374253223	/nfs/dbraw/zinc/25/32/23/374253223.db2.gz	KEGNLLSQVSZGMV-UHFFFAOYSA-N	-3	3	334.252	-2.906	50	30		EAEAHL
CCn1c([N-]N=C2C(=O)[N-]C(=O)NC2=O)nc2c1c(=O)[nH]c(=O)n2C	ZINC000016956175	374260063	/nfs/dbraw/zinc/26/00/63/374260063.db2.gz	XYQRZFVUKVQRCH-UHFFFAOYSA-N	-2	3	348.279	-1.583	50	30		EAEAHL
C=CCN1C[C@@]2(C(=O)[O-])CN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C[C@H]2C1=O	ZINC000072431903	374686473	/nfs/dbraw/zinc/68/64/73/374686473.db2.gz	YFJRPJXNSYECFQ-VXJOIVPMSA-N	-2	3	348.315	-1.353	50	30		EAEAHL