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(=S)C(=Cc2ccc(-c3nnn[n-]3)cc2)S1	ZINC000095556512	185009707	/nfs/dbraw/zinc/00/97/07/185009707.db2.gz	DAENRNPHDSQFOC-YVMONPNESA-N	-2	3	289.345	1.991	1	10		CDCFHL
O=C1[N-]C(=S)C(=Cc2ccc(-c3nn[n-]n3)cc2)S1	ZINC000095556512	185009708	/nfs/dbraw/zinc/00/97/08/185009708.db2.gz	DAENRNPHDSQFOC-YVMONPNESA-N	-2	3	289.345	1.991	1	10		CDCFHL
O=C1c2ccc([O-])cc2C(=O)c2c([O-])cc(CO)cc21	ZINC000013327822	560214417	/nfs/dbraw/zinc/21/44/17/560214417.db2.gz	NWPULPMOTUPXPI-UHFFFAOYSA-N	-2	3	270.240	1.366	1	10	biogenic,in-vitro	CDCFHL
COC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000040425299	174258672	/nfs/dbraw/zinc/25/86/72/174258672.db2.gz	SGDMEGYCHABPCQ-UHFFFAOYSA-N	-2	3	298.250	1.660	1	10		CDCFHL
O=C([O-])c1ccc2c(c1O)C(=O)c1c([O-])cccc1C2=O	ZINC000095588643	185011799	/nfs/dbraw/zinc/01/17/99/185011799.db2.gz	HPHGOLOVNRPYCG-UHFFFAOYSA-N	-2	3	284.223	1.571	1	10		CDCFHL
O=Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000014775169	560226107	/nfs/dbraw/zinc/22/61/07/560226107.db2.gz	QFXNYLFHBVQEQY-UHFFFAOYSA-N	-2	3	284.223	1.391	1	10	biogenic,in-vitro	CDCFHL
O=C([O-])c1cc([O-])c2c(c1)C(=O)c1ccccc1C2=O	ZINC000006117133	290833950	/nfs/dbraw/zinc/83/39/50/290833950.db2.gz	ICBHXKIMYNFEIB-UHFFFAOYSA-N	-2	3	268.224	1.866	1	10	biogenic,in-vitro	CDCFHL
CN(C)Cc1cc([O-])c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000005965033	170163380	/nfs/dbraw/zinc/16/33/80/170163380.db2.gz	ZXAVRBHBJMORJN-UHFFFAOYSA-N	-2	3	297.310	1.935	1	10		CDCFHL
O=C1[N-]C(=S)C(=Cc2ccccc2-c2nnn[n-]2)S1	ZINC000095557593	185009746	/nfs/dbraw/zinc/00/97/46/185009746.db2.gz	YQOWFIMMAPHWBS-YVMONPNESA-N	-2	3	289.345	1.991	1	10		CDCFHL
O=C1[N-]C(=S)C(=Cc2ccccc2-c2nn[n-]n2)S1	ZINC000095557593	185009747	/nfs/dbraw/zinc/00/97/47/185009747.db2.gz	YQOWFIMMAPHWBS-YVMONPNESA-N	-2	3	289.345	1.991	1	10		CDCFHL
COc1c(C)c2c([n-]c1=O)C(=O)c1cccc([O-])c1C2=O	ZINC000014586984	560222514	/nfs/dbraw/zinc/22/25/14/560222514.db2.gz	XVTLWESXXLCLIK-UHFFFAOYSA-N	-2	3	285.255	1.173	1	10	biogenic,in-vitro	CDCFHL
COc1c([O-])cc2c(c1O)C(=O)c1c([O-])cccc1C2=O	ZINC000014725222	560225122	/nfs/dbraw/zinc/22/51/22/560225122.db2.gz	ITLMMMUIWDPRJK-UHFFFAOYSA-N	-2	3	286.239	1.587	1	10	biogenic,in-vitro	CDCFHL
COc1cc2c([O-])c3c(=O)cc(O)cc-3oc2c(O)c1[O-]	ZINC000014649012	560223874	/nfs/dbraw/zinc/22/38/74/560223874.db2.gz	LOJMAPGMVDHGEL-UHFFFAOYSA-N	-2	3	290.227	1.777	1	10	biogenic,in-vitro	CDCFHL
O=C([O-])c1cccc2c1C(=O)c1cccc([O-])c1C2=O	ZINC000090686704	180024075	/nfs/dbraw/zinc/02/40/75/180024075.db2.gz	ZXSXHGIOICBFFW-UHFFFAOYSA-N	-2	3	268.224	1.866	1	10		CDCFHL
O=Cc1c([O-])cc2c(c1[O-])C(=O)c1cccc([O-])c1C2=O	ZINC000014775157	560226095	/nfs/dbraw/zinc/22/60/95/560226095.db2.gz	ZLTPIJXBXKYZKU-UHFFFAOYSA-N	-3	3	284.223	1.391	1	10	biogenic,in-vitro	CDCFHL
O=Cc1c([O-])cc2c(c1[O-])C(=O)c1cccc(O)c1C2=O	ZINC000014775157	560226096	/nfs/dbraw/zinc/22/60/96/560226096.db2.gz	ZLTPIJXBXKYZKU-UHFFFAOYSA-N	-2	3	284.223	1.391	1	10	biogenic,in-vitro	CDCFHL
O=C1c2c([O-])cccc2C([O-])=C2CC(CO)=CC(O)=C12	ZINC000034050903	290834794	/nfs/dbraw/zinc/83/47/94/290834794.db2.gz	WUIUMIHLPDAGQF-ZANVPECISA-N	-2	3	272.256	1.378	1	10	biogenic,in-vitro	CDCFHL
COc1c(C=O)c([O-])cc2c1C(=O)c1cccc([O-])c1C2=O	ZINC000014775159	290827587	/nfs/dbraw/zinc/82/75/87/290827587.db2.gz	QHNQRUVIUVPRGL-UHFFFAOYSA-N	-2	3	298.250	1.694	1	10	biogenic,in-vitro	CDCFHL
COC(=O)c1cc([O-])c2c(c1)C(=O)c1c([O-])cccc1C2=O	ZINC000013481239	560217355	/nfs/dbraw/zinc/21/73/55/560217355.db2.gz	OIMALAMXEFMMOW-UHFFFAOYSA-N	-2	3	298.250	1.660	1	10	biogenic,in-vitro	CDCFHL
O=C([O-])Cc1ccc2c(c1[O-])C(=O)c1c([O-])cccc1C2=O	ZINC000006251605	170185907	/nfs/dbraw/zinc/18/59/07/170185907.db2.gz	IKFRFGXQHSBCQM-UHFFFAOYSA-N	-3	3	298.250	1.500	1	10	in-vivo	CDCFHL
O=C([O-])Cc1ccc2c(c1[O-])C(=O)c1c(O)cccc1C2=O	ZINC000006251605	170185908	/nfs/dbraw/zinc/18/59/08/170185908.db2.gz	IKFRFGXQHSBCQM-UHFFFAOYSA-N	-2	3	298.250	1.500	1	10	in-vivo	CDCFHL
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc([O-])cc1	ZINC000102732299	185789477	/nfs/dbraw/zinc/78/94/77/185789477.db2.gz	UWAZOHPSNXWCDY-WMUVVQJISA-N	-2	3	277.309	1.306	1	10		CDCFHL
COc1c([O-])ccc2c1C(=O)c1cccc([O-])c1C2=O	ZINC000033831657	290827599	/nfs/dbraw/zinc/82/75/99/290827599.db2.gz	PIYPSEKICNYSKT-UHFFFAOYSA-N	-2	3	270.240	1.882	1	10	biogenic,in-vitro	CDCFHL
O=C1c2ccc([O-])cc2C(=O)c2cc([O-])c(CO)cc21	ZINC000013327868	290834431	/nfs/dbraw/zinc/83/44/31/290834431.db2.gz	VFILSEYHXFPERI-UHFFFAOYSA-N	-2	3	270.240	1.366	1	10	biogenic,in-vitro	CDCFHL
O=C([O-])C1=CC(O)=C2C(=O)c3c([O-])cccc3C([O-])=C2C1	ZINC000059736840	560082304	/nfs/dbraw/zinc/08/23/04/560082304.db2.gz	HHQNGUQUHZYDEP-UFBFGSQYSA-N	-3	3	286.239	1.470	1	10	biogenic,in-vitro	CDCFHL