smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)c1noc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2	ZINC000169311782	206251061	/nfs/dbraw/zinc/25/10/61/206251061.db2.gz	QEUHHJSQQWEODS-UHFFFAOYSA-N	-1	3	351.790	2.047	1	10		FECFHM
CCNC(=O)c1noc2c1CN(Cc1cc(Cl)c(O)cc1[O-])CC2	ZINC000169311782	206251065	/nfs/dbraw/zinc/25/10/65/206251065.db2.gz	QEUHHJSQQWEODS-UHFFFAOYSA-N	-1	3	351.790	2.047	1	10		FECFHM
CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc([O-])c1-3	ZINC000001488900	206885542	/nfs/dbraw/zinc/88/55/42/206885542.db2.gz	IHOBVNSDQRMNBZ-UHFFFAOYSA-N	-1	3	350.378	2.226	1	10		FECFHM
COc1cc([O-])c2c(c1)C[C@H](c1ccc(OC)c(O)c1O)[C@@H](OC)C2=O	ZINC000069482243	291051683	/nfs/dbraw/zinc/05/16/83/291051683.db2.gz	UJRUIVUIGZSXOY-CWTRNNRKSA-N	-1	3	360.362	2.358	1	10	biogenic,in-vitro	FECFHM
CC(C)(C)c1cc(I)c([O-])c(Cn2cnnn2)c1	ZINC000027754564	207939449	/nfs/dbraw/zinc/93/94/49/207939449.db2.gz	CYMFGRXZNSLHDM-UHFFFAOYSA-N	-1	3	358.183	2.329	1	10		FECFHM
COc1ccc([C@H]2Oc3cc(OC)c(O)c([O-])c3C(=O)[C@@H]2OC)cc1O	ZINC000069482479	291052437	/nfs/dbraw/zinc/05/24/37/291052437.db2.gz	XSFQCULVQKQHRX-MSOLQXFVSA-N	-1	3	362.334	2.152	1	10	biogenic,in-vitro	FECFHM
COc1cc2c(c(O)c1[O-])-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000001582727	210360384	/nfs/dbraw/zinc/36/03/84/210360384.db2.gz	QCOIAAVYXNEUDX-AWEZNQCLSA-N	-1	3	371.389	2.266	1	10		FECFHM