smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	ZINC000014775169	560226106	/nfs/dbraw/zinc/22/61/06/560226106.db2.gz	QFXNYLFHBVQEQY-UHFFFAOYSA-N	0	2	284.223	1.391	1	10	biogenic,in-vitro	CDCFLN
Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(C)c1	ZINC000103272826	185824030	/nfs/dbraw/zinc/82/40/30/185824030.db2.gz	OEDTTWMCNLYKFR-UHFFFAOYSA-N	0	2	288.347	1.311	1	10		CDCFLN
COC(=O)c1cc2cc(O)c(O)cc2c(=O)c(O)c1	ZINC000013527329	170558426	/nfs/dbraw/zinc/55/84/26/170558426.db2.gz	QERVKDHVQXCXMJ-UHFFFAOYSA-N	0	2	262.217	1.103	1	10		CDCFLN
O=Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O	ZINC000003918875	560191456	/nfs/dbraw/zinc/19/14/56/560191456.db2.gz	NSGZEHPFOUCUHD-UHFFFAOYSA-N	0	2	268.224	1.686	1	10	biogenic,in-vitro	CDCFLN
O=c1cc(-c2cncnc2)oc2c(O)c(O)ccc12	ZINC000072108858	176317148	/nfs/dbraw/zinc/31/71/48/176317148.db2.gz	PJPCMSUKANRNFQ-UHFFFAOYSA-N	0	2	256.217	1.661	1	10		CDCFLN
O=C1c2cc(O)c(O)cc2C(=O)c2cc(O)c(O)cc21	ZINC000029568960	171604355	/nfs/dbraw/zinc/60/43/55/171604355.db2.gz	BMQJJAXJGOFFHI-UHFFFAOYSA-N	0	2	272.212	1.284	1	10		CDCFLN
O=Cc1c(O)cc2c(c1O)C(=O)c1cccc(O)c1C2=O	ZINC000014775157	560226093	/nfs/dbraw/zinc/22/60/93/560226093.db2.gz	ZLTPIJXBXKYZKU-UHFFFAOYSA-N	0	2	284.223	1.391	1	10	biogenic,in-vitro	CDCFLN
CCn1c2[s+]cnn2c([O-])c(-c2ccccc2)c1=O	ZINC000100957982	185730359	/nfs/dbraw/zinc/73/03/59/185730359.db2.gz	ZFMRNNRWGWWTQH-SNVBAGLBSA-N	0	2	274.325	1.221	1	10		CDCFLN
COc1c(C=O)c(O)cc2c1C(=O)c1cccc(O)c1C2=O	ZINC000014775159	290827585	/nfs/dbraw/zinc/82/75/85/290827585.db2.gz	QHNQRUVIUVPRGL-UHFFFAOYSA-N	0	2	298.250	1.694	1	10	biogenic,in-vitro	CDCFLN
O=C1c2cccc(O)c2C(=O)c2c(O)ccc([N+](=O)[O-])c21	ZINC000035283738	172102322	/nfs/dbraw/zinc/10/23/22/172102322.db2.gz	RIYCICFDXLNQPV-UHFFFAOYSA-N	0	2	285.211	1.781	1	10	in-vivo	CDCFLN