smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(N=NN3CCC[C@H]3C(=O)[O-])[n-]c2c(=O)n(C)c1=O	ZINC000008740292	375340882	/nfs/dbraw/zinc/34/08/82/375340882.db2.gz	GSEIXUXUCLUYKD-BOIHVVGYSA-N	-2	0	321.297	-0.492	40	10		DBCBRL
O=C([O-])[C@@H](O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000014720640	374366901	/nfs/dbraw/zinc/36/69/01/374366901.db2.gz	SWGKAHCIOQPKFW-LOMYTOQZSA-N	-2	0	312.230	-0.447	40	10	biogenic,in-vitro	DBCBRL
O=C([O-])[C@H](O)[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000033832846	374465495	/nfs/dbraw/zinc/46/54/95/374465495.db2.gz	SWGKAHCIOQPKFW-RQVXFDJMSA-N	-2	0	312.230	-0.447	40	10	endogenous,in-man	DBCBRL
CCOC(=O)[C@@H](C(=N)C(=N)[C@@H](C(=O)[O-])C(=O)OCC)C(=O)[O-]	ZINC000104367695	374904244	/nfs/dbraw/zinc/90/42/44/374904244.db2.gz	CLDPRRAXLFNGLB-WDSKDSINSA-N	-2	0	316.266	-0.446	40	10		DBCBRL
Cn1c2nc(N=NN3CCC[C@H]3C(=O)[O-])[n-]c2c(=O)n(C)c1=O	ZINC000100744296	375405915	/nfs/dbraw/zinc/40/59/15/375405915.db2.gz	GSEIXUXUCLUYKD-UHBIUHSUSA-N	-2	0	321.297	-0.492	40	10		DBCBRL
O=C([O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](O)C(=O)[O-]	ZINC000014720637	374287670	/nfs/dbraw/zinc/28/76/70/374287670.db2.gz	SWGKAHCIOQPKFW-OVXAFGJRSA-N	-2	0	312.230	-0.447	40	10	biogenic,in-vitro	DBCBRL
O=C([O-])[C@H](O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000014720642	374287390	/nfs/dbraw/zinc/28/73/90/374287390.db2.gz	SWGKAHCIOQPKFW-BOCAPUTCSA-N	-2	0	312.230	-0.447	40	10	biogenic,in-vitro	DBCBRL
O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)NC2=O)c([N+](=O)[O-])c1	ZINC000016384557	374379835	/nfs/dbraw/zinc/37/98/35/374379835.db2.gz	LCCDTRHNPNIZOH-UHFFFAOYSA-N	-2	0	320.217	-0.045	40	10		DBCBRL
O=C1c2ccccc2C(=O)C1(S(=O)(=O)[O-])S(=O)(=O)[O-]	ZINC000003171916	376604029	/nfs/dbraw/zinc/60/40/29/376604029.db2.gz	TYEYJDBWIOLLIJ-UHFFFAOYSA-N	-2	0	306.273	-0.463	40	10		DBCBRL
O=C1[N-]C(=O)C(/N=N/c2ccc(S(=O)(=O)[O-])cc2)C(=O)N1	ZINC000104620935	194021630	/nfs/dbraw/zinc/02/16/30/194021630.db2.gz	XRSGHOKULZJANY-BUHFOSPRSA-N	-2	0	312.263	-0.248	40	10		DBCBRL