smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@]1(O)CC(=O)c2c(O)c3c(c([O-])c2[C@@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000014585143	563014500	/nfs/dbraw/zinc/01/45/00/563014500.db2.gz	FCUPTGDGQULLKX-ZHRRBRCNSA-N	-2	3	426.377	1.563	1	10	in-vivo	IDCFHL
CC[C@]1(O)CC(=O)c2c(O)c3c(c([O-])c2[C@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000014585147	563014614	/nfs/dbraw/zinc/01/46/14/563014614.db2.gz	FCUPTGDGQULLKX-AOMKIAJQSA-N	-2	3	426.377	1.563	1	10	in-vivo	IDCFHL
CN(C)c1ccc([C@@H](C(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@H]2SC(=S)NC2=O)cc1	ZINC000040973074	563114915	/nfs/dbraw/zinc/11/49/15/563114915.db2.gz	YWBLGTCJZAKPEP-NXEZZACHSA-N	-4	3	440.376	1.034	1	10		IDCFHL
COc1c([O-])c2c(=O)c(OC)c(-c3ccc([O-])c(O)c3)oc2cc1OS(=O)(=O)[O-]	ZINC000014727316	291323611	/nfs/dbraw/zinc/32/36/11/291323611.db2.gz	AYBWPCJLKMIOED-UHFFFAOYSA-N	-3	3	426.355	1.776	1	10	biogenic,in-vitro	IDCFHL
O=C1NC(=S)S[C@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040379398	563099530	/nfs/dbraw/zinc/09/95/30/563099530.db2.gz	QYJISLYMHMHTOH-YUMQZZPRSA-N	-4	3	431.752	1.622	1	10		IDCFHL
CN(C)c1ccc([C@H](C(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@@H]2SC(=S)NC2=O)cc1	ZINC000040973075	563114955	/nfs/dbraw/zinc/11/49/55/563114955.db2.gz	YWBLGTCJZAKPEP-UWVGGRQHSA-N	-4	3	440.376	1.034	1	10		IDCFHL
O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040379399	563099541	/nfs/dbraw/zinc/09/95/41/563099541.db2.gz	QYJISLYMHMHTOH-SFYZADRCSA-N	-4	3	431.752	1.622	1	10		IDCFHL
CC[C@@]1(O)CC(=O)c2c(O)c3c(c([O-])c2[C@@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000014585141	563014546	/nfs/dbraw/zinc/01/45/46/563014546.db2.gz	FCUPTGDGQULLKX-OPAMFIHVSA-N	-2	3	426.377	1.563	1	10	in-vivo	IDCFHL
CN(C)c1ccc([C@H](C(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@H]2SC(=S)NC2=O)cc1	ZINC000040973072	563114920	/nfs/dbraw/zinc/11/49/20/563114920.db2.gz	YWBLGTCJZAKPEP-VHSXEESVSA-N	-4	3	440.376	1.034	1	10		IDCFHL
O=c1oc2cc([O-])c(O)cc2c2c1[n-]c1c2c2cc(OS(=O)(=O)[O-])c([O-])cc2oc1=O	ZINC000058568450	563144586	/nfs/dbraw/zinc/14/45/86/563144586.db2.gz	NVCJNQRNOQCIKV-UHFFFAOYSA-N	-4	3	447.333	1.832	1	10		IDCFHL
O=c1oc2cc([O-])c(O)cc2c2c1[n-]c1c2c2cc(OS(=O)(=O)[O-])c(O)cc2oc1=O	ZINC000058568450	563144587	/nfs/dbraw/zinc/14/45/87/563144587.db2.gz	NVCJNQRNOQCIKV-UHFFFAOYSA-N	-3	3	447.333	1.832	1	10		IDCFHL
CC[C@@]1(O)CC(=O)c2c(O)c3c(c([O-])c2[C@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000014585145	563014524	/nfs/dbraw/zinc/01/45/24/563014524.db2.gz	FCUPTGDGQULLKX-KSFYIVLOSA-N	-2	3	426.377	1.563	1	10	in-vivo	IDCFHL
O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040379397	563099546	/nfs/dbraw/zinc/09/95/46/563099546.db2.gz	QYJISLYMHMHTOH-HTQZYQBOSA-N	-4	3	431.752	1.622	1	10		IDCFHL
CN(C)c1ccc([C@@H](C(P(=O)([O-])[O-])P(=O)([O-])[O-])[C@@H]2SC(=S)NC2=O)cc1	ZINC000040973077	563114925	/nfs/dbraw/zinc/11/49/25/563114925.db2.gz	YWBLGTCJZAKPEP-ZJUUUORDSA-N	-4	3	440.376	1.034	1	10		IDCFHL
O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000040379396	563099375	/nfs/dbraw/zinc/09/93/75/563099375.db2.gz	QYJISLYMHMHTOH-JGVFFNPUSA-N	-4	3	431.752	1.622	1	10		IDCFHL