smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)c1cc(O)c(OC)cc1c1c2C[N@@H+]2CCC[C@@H]2C1	ZINC000028817923	202177816	/nfs/dbraw/zinc/17/78/16/202177816.db2.gz	YGIJCEZNLVPDPL-CYBMUJFWSA-N	1	1	349.430	4.236	1	5		EIBFMO
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1C3	ZINC000072122803	203164229	/nfs/dbraw/zinc/16/42/29/203164229.db2.gz	DSYIHAGYTDJTNX-ZDUSSCGKSA-N	1	1	349.430	4.236	1	5		EIBFMO
CCn1c2cc[nH+]cc2c2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000071318862	203092548	/nfs/dbraw/zinc/09/25/48/203092548.db2.gz	SMFVRMVGGKBHJO-UHFFFAOYSA-N	1	1	345.358	4.349	1	5		EIBFMO
COc1cc2c(cc1OC)c1c(O)cccc1c1c2C[N@@H+]2CCC[C@H]2C1	ZINC000072142776	216027858	/nfs/dbraw/zinc/02/78/58/216027858.db2.gz	XEATVZZXKFURFH-ZDUSSCGKSA-N	1	1	349.430	4.236	1	5		EIBFMO
Cn1c2ccccc2c2c1c1ccccc1nc2NCC(C)(C)C[NH3+]	ZINC000169309472	534711420	/nfs/dbraw/zinc/71/14/20/534711420.db2.gz	OUUVYZHJKLZPDF-UHFFFAOYSA-N	1	1	332.451	4.277	1	5		EIBFMO
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@@H]1C3	ZINC000072124337	216016549	/nfs/dbraw/zinc/01/65/49/216016549.db2.gz	DSYIHAGYTDJTNX-CYBMUJFWSA-N	1	1	349.430	4.236	1	5		EIBFMO
C[N@H+]1CCC[C@@H]1CCNc1ccc2sc3ccccc3c(=O)c2c1	ZINC000012477116	211391687	/nfs/dbraw/zinc/39/16/87/211391687.db2.gz	UFPSLFRMJFJQLX-OAHLLOKOSA-N	1	1	338.476	4.311	3	5		EIBFMO
COc1cc2c3ccc(O)cc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1C3	ZINC000072125855	216016156	/nfs/dbraw/zinc/01/61/56/216016156.db2.gz	KPTHFBDKGUGCRU-ZDUSSCGKSA-N	1	1	349.430	4.236	1	5		EIBFMO
COc1cc2c3ccccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1[C@H]3O	ZINC000066259868	215029117	/nfs/dbraw/zinc/02/91/17/215029117.db2.gz	ANQNMLURNXPSDY-PGRDOPGGSA-N	1	1	349.430	4.022	1	5		EIBFMO
COc1cc2c3cc(O)ccc3c3c(c2cc1OC)C[C@H]1CCC[N@@H+]1C3	ZINC000013370332	560215254	/nfs/dbraw/zinc/21/52/54/560215254.db2.gz	BFZAOGGSKQRCNS-CYBMUJFWSA-N	1	1	349.430	4.236	1	5	biogenic,in-vitro	EIBFMO
C[N@H+]1CCCN(c2nc3ccccc3c3[nH]c4ccccc4c32)CC1	ZINC000169309442	530054133	/nfs/dbraw/zinc/05/41/33/530054133.db2.gz	SGLNANGHWZNPDM-UHFFFAOYSA-N	1	1	330.435	4.011	1	5		EIBFMO
COc1cc2c3ccccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@@H]1[C@@H]3O	ZINC000066259903	215028991	/nfs/dbraw/zinc/02/89/91/215028991.db2.gz	ANQNMLURNXPSDY-GCJKJVERSA-N	1	1	349.430	4.022	1	5		EIBFMO
C[N@H+]1CCC[C@H]1CCNc1ccc2sc3ccccc3c(=O)c2c1	ZINC000012477121	211392015	/nfs/dbraw/zinc/39/20/15/211392015.db2.gz	UFPSLFRMJFJQLX-HNNXBMFYSA-N	1	1	338.476	4.311	3	5		EIBFMO