smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(c1)C(=O)c1cc(C)c([O-])cc1C2=O	ZINC000006070415	361334329	/nfs/dbraw/zinc/33/43/29/361334329.db2.gz	FKTPLNFTYJEAAB-UHFFFAOYSA-N	-2	3	284.267	2.190	10	10		CECEHL
COc1c([O-])ccc2c1C(=O)c1ccc(C)c([O-])c1C2=O	ZINC000006523023	560206082	/nfs/dbraw/zinc/20/60/82/560206082.db2.gz	QJRHLPRUPYDZHC-UHFFFAOYSA-N	-2	3	284.267	2.190	10	10	biogenic,in-vitro	CECEHL
O=C1C=C([O-])C([O-])=C2OC(c3ccccc3)C(=O)C(O)=C12	ZINC000005934505	170157915	/nfs/dbraw/zinc/15/79/15/170157915.db2.gz	WQUAABPUMMPCJB-UHFFFAOYSA-N	-2	3	286.239	2.282	10	10		CECEHL
Cc1cc([O-])cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000013334432	560214455	/nfs/dbraw/zinc/21/44/55/560214455.db2.gz	BXWJOXJOMFDQNV-UHFFFAOYSA-N	-2	3	254.241	2.182	10	10	in-vitro	CECEHL
Cc1cc([O-])c2c(c1)C(=O)c1ccc([O-])cc1C2=O	ZINC000013334403	560214520	/nfs/dbraw/zinc/21/45/20/560214520.db2.gz	VQUUDWPESXALSD-UHFFFAOYSA-N	-2	3	254.241	2.182	10	10	biogenic,in-vitro	CECEHL
COCc1c([O-])cc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000004098685	560196055	/nfs/dbraw/zinc/19/60/55/560196055.db2.gz	OBAYLECORSQIQW-UHFFFAOYSA-N	-2	3	284.267	2.020	10	10	biogenic,in-vitro	CECEHL
COc1cccc2c([O-])c3c(=O)c([O-])c(O)cc-3oc12	ZINC000014764102	361460545	/nfs/dbraw/zinc/46/05/45/361460545.db2.gz	ZKDXDGJSBPWWEM-UHFFFAOYSA-N	-2	3	274.228	2.072	10	10		CECEHL
Cc1cc([O-])c2c(c1)C(=O)c1c([O-])cccc1C2=O	ZINC000013334394	560214528	/nfs/dbraw/zinc/21/45/28/560214528.db2.gz	IYNJGYCVIYBFBS-UHFFFAOYSA-N	-2	3	254.241	2.182	10	10	biogenic,in-vitro	CECEHL
O=C([O-])CCC(=O)NCc1c([O-])ccc2ccccc21	ZINC000008021154	170314071	/nfs/dbraw/zinc/31/40/71/170314071.db2.gz	JQKLVUDPAZDMPQ-UHFFFAOYSA-N	-2	3	273.288	2.026	10	10		CECEHL
Cc1ccc2c(c1[O-])C(=O)c1ccc([O-])cc1C2=O	ZINC000006071442	290847188	/nfs/dbraw/zinc/84/71/88/290847188.db2.gz	BSKQISPKMLYNTK-UHFFFAOYSA-N	-2	3	254.241	2.182	10	10	biogenic,in-vitro	CECEHL
O=c1cc(-c2cccc(O)c2)oc2cc([O-])c(O)c([O-])c12	ZINC000014757294	361460163	/nfs/dbraw/zinc/46/01/63/361460163.db2.gz	JNEATACIZZZBLE-UHFFFAOYSA-N	-2	3	286.239	2.282	10	10		CECEHL
O=C1[N-]C(=S)S/C1=C/c1cc(F)c([O-])cc1F	ZINC000575327254	395659453	/nfs/dbraw/zinc/65/94/53/395659453.db2.gz	FYCVTZFWEIOUNF-KRXBUXKQSA-N	-2	3	273.285	2.159	10	10		CECEHL
Nc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000006898724	170253879	/nfs/dbraw/zinc/25/38/79/170253879.db2.gz	DJNXLFQVRKTDJP-UHFFFAOYSA-N	-2	3	298.751	2.429	10	10		CECEHL
CCOCc1c([O-])cc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000005650760	170123955	/nfs/dbraw/zinc/12/39/55/170123955.db2.gz	VRARPPQMEQUQET-UHFFFAOYSA-N	-2	3	298.294	2.410	10	10		CECEHL
O=C1[N-]C(=S)S/C1=C/c1cccc(F)c1[O-]	ZINC000575327261	395659398	/nfs/dbraw/zinc/65/93/98/395659398.db2.gz	JOLPBHAEYDOJEC-QPJJXVBHSA-N	-2	3	255.295	2.020	10	10		CECEHL
O=C1[N-]C(=S)S/C1=C\c1c([O-])cccc1F	ZINC000575327304	395659292	/nfs/dbraw/zinc/65/92/92/395659292.db2.gz	VYXNDYYKPWVODU-YWEYNIOJSA-N	-2	3	255.295	2.020	10	10		CECEHL
CCCOC(=O)c1sc(C(=O)OCCC)c([O-])c1[O-]	ZINC000001846265	343351780	/nfs/dbraw/zinc/35/17/80/343351780.db2.gz	GUFHWUFYAOUKTI-UHFFFAOYSA-N	-2	3	288.321	2.293	10	10	in-man	CECEHL
COc1cc([O-])c2c(c1)C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000014814149	361460578	/nfs/dbraw/zinc/46/05/78/361460578.db2.gz	LLZYZGMVXFGQAY-UHFFFAOYSA-N	-2	3	284.267	2.190	10	10		CECEHL
O=C([O-])c1cc(O)ccc1NC(=O)c1ccc([O-])cc1	ZINC000001626209	560183103	/nfs/dbraw/zinc/18/31/03/560183103.db2.gz	ZOKNFJAARIIMMM-UHFFFAOYSA-N	-2	3	273.244	2.048	10	10	biogenic,in-vitro	CECEHL
O=c1c(-c2ccc(O)cc2)coc2cc([O-])c(O)c([O-])c12	ZINC000006472605	170204023	/nfs/dbraw/zinc/20/40/23/170204023.db2.gz	HDXSEWOOSVMREY-UHFFFAOYSA-N	-2	3	286.239	2.282	10	10	endogenous,in-man	CECEHL
COc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O	ZINC000004095655	560193450	/nfs/dbraw/zinc/19/34/50/560193450.db2.gz	UUNPIWCQMVNINR-UHFFFAOYSA-N	-2	3	284.267	2.190	10	10	biogenic,in-vitro	CECEHL
O=C1[N-]C(=S)S/C1=C\c1cc(F)c([O-])cc1F	ZINC000575327255	395659390	/nfs/dbraw/zinc/65/93/90/395659390.db2.gz	FYCVTZFWEIOUNF-WAPJZHGLSA-N	-2	3	273.285	2.159	10	10		CECEHL