smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2cc([N+](=O)[O-])c(-c3n[n-]c(=S)o3)cc2[nH]1	ZINC000096939221	185132787	/nfs/dbraw/zinc/13/27/87/185132787.db2.gz	MZDLUDXGBNHETG-UHFFFAOYSA-N	-1	1	277.265	2.118	1	5		CEBFMM
COC(=O)c1cc([O-])cc2oc3cccc(O)c3c(=O)c21	ZINC000071317650	176122250	/nfs/dbraw/zinc/12/22/50/176122250.db2.gz	YBQTVIMCHXORHO-UHFFFAOYSA-N	-1	1	286.239	2.144	1	5		CEBFMM
COc1cc2c(=O)c3c(OC)cc([O-])cc3oc2cc1O	ZINC000014764527	290843571	/nfs/dbraw/zinc/84/35/71/290843571.db2.gz	TZVWXRWZFWCCDO-UHFFFAOYSA-N	-1	1	288.255	2.375	1	5	biogenic,in-vitro	CEBFMM
COc1cc([O-])c2oc3ccc(OC)c(O)c3c(=O)c2c1	ZINC000059587188	560082833	/nfs/dbraw/zinc/08/28/33/560082833.db2.gz	WSUCDCNZSGRGSF-UHFFFAOYSA-N	-1	1	288.255	2.375	1	5	biogenic,in-vitro	CEBFMM
COc1ccc(O)c2c(=O)c3c(O)cc([O-])cc3oc12	ZINC000014764437	560225971	/nfs/dbraw/zinc/22/59/71/560225971.db2.gz	QNJCJDZKEAVOBJ-UHFFFAOYSA-N	-1	1	274.228	2.072	1	5	biogenic,in-vitro	CEBFMM
COc1ccc(O)c2c(=O)c3ccc([O-])cc3oc12	ZINC000014821982	560226863	/nfs/dbraw/zinc/22/68/63/560226863.db2.gz	ANQQUCRTGKYCDZ-UHFFFAOYSA-N	-1	1	258.229	2.366	1	5	in-vitro	CEBFMM
Cn1c2ccc([N+](=O)[O-])cc2c(=O)c2c(O)cc([O-])cc21	ZINC000005615474	170120070	/nfs/dbraw/zinc/12/00/70/170120070.db2.gz	CYBLUKVSMNILGW-UHFFFAOYSA-N	-1	1	286.243	2.011	1	5		CEBFMM
COc1cc(O)c2c(=O)c3cc(OC)c([O-])cc3oc2c1	ZINC000014764530	560225935	/nfs/dbraw/zinc/22/59/35/560225935.db2.gz	FLTBKCJDQMNPTA-UHFFFAOYSA-N	-1	1	288.255	2.375	1	5	biogenic,in-vitro	CEBFMM
COc1cc2c(=O)c3c(O)cccc3oc2cc1[O-]	ZINC000014822024	560226824	/nfs/dbraw/zinc/22/68/24/560226824.db2.gz	ZPHCTBYBIZXYGV-UHFFFAOYSA-N	-1	1	258.229	2.366	1	5	biogenic,in-vitro	CEBFMM
COc1cc2c(=O)c3c(O)cccc3oc2c(OC)c1[O-]	ZINC000014764565	290843355	/nfs/dbraw/zinc/84/33/55/290843355.db2.gz	JNEXYTCBXFBLEK-UHFFFAOYSA-N	-1	1	288.255	2.375	1	5	biogenic,in-vitro	CEBFMM
O=C1[N-]C(=O)c2c1c1[nH][nH]cc1c1nc3ccccc3c12	ZINC000084724925	178921302	/nfs/dbraw/zinc/92/13/02/178921302.db2.gz	XBPSBLTUCDXDKJ-UHFFFAOYSA-N	-1	1	276.255	2.081	1	5		CEBFMM
COc1c(O)ccc2oc3cc([O-])cc(O)c3c(=O)c21	ZINC000006403339	560205603	/nfs/dbraw/zinc/20/56/03/560205603.db2.gz	KTLFPSHTGDWZIW-UHFFFAOYSA-N	-1	1	274.228	2.072	1	5	biogenic,in-vitro	CEBFMM
COc1c2c(cc3oc4cc([O-])ccc4c(=O)c31)OCO2	ZINC000095912148	560057569	/nfs/dbraw/zinc/05/75/69/560057569.db2.gz	YAVDEYBGXMVERN-UHFFFAOYSA-N	-1	1	286.239	2.389	1	5	biogenic,in-vitro	CEBFMM