smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(c(=O)[n-]1)S[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)CN2	ZINC000003806987	194361540	/nfs/dbraw/zinc/36/15/40/194361540.db2.gz	HHKAOUMVRGSKLS-UWVGGRQHSA-N	-3	1	467.529	0.980	10	0	in-vitro	JCAEML
Nc1nc2c(c(=O)[nH]1)S[C@@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)CN2	ZINC000003806987	194361538	/nfs/dbraw/zinc/36/15/38/194361538.db2.gz	HHKAOUMVRGSKLS-UWVGGRQHSA-N	-2	1	467.529	0.980	10	0	in-vitro	JCAEML
Nc1nc(N)c(CCCNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2F)c(=O)[nH]1	ZINC000004650643	194393387	/nfs/dbraw/zinc/39/33/87/194393387.db2.gz	FFHQYDNSOGJVFH-ZDUSSCGKSA-N	-2	1	450.427	0.166	10	0		JCAEML
Nc1nc(N)c(CCCNc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c2)c(=O)[nH]1	ZINC000004770522	527553826	/nfs/dbraw/zinc/55/38/26/527553826.db2.gz	AOYAXFYMQQHMIW-ZDUSSCGKSA-N	-2	1	450.427	0.166	10	0		JCAEML
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2C1	ZINC000004846117	562933800	/nfs/dbraw/zinc/93/38/00/562933800.db2.gz	QXOPTIPQEVJERB-JQWIXIFHSA-N	-2	1	463.516	0.987	10	0	investigational	JCAEML
Nc1nc2c(c(=O)[nH]1)N1C(=O)N(c3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)C[C@@H]1CN2	ZINC000005372709	562933894	/nfs/dbraw/zinc/93/38/94/562933894.db2.gz	JSNFRYBHBVDHSG-NWDGAFQWSA-N	-2	1	471.430	0.053	10	0		JCAEML
Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)O1	ZINC000012501708	527576098	/nfs/dbraw/zinc/57/60/98/527576098.db2.gz	OAKPWEUQDVLTCN-RQJHMYQMSA-N	-3	1	475.184	0.429	10	0	in-vitro	JCAEML
Nc1ncnc2c1ncn2[C@@H]1CC[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)O1	ZINC000012501708	527576093	/nfs/dbraw/zinc/57/60/93/527576093.db2.gz	OAKPWEUQDVLTCN-RQJHMYQMSA-N	-3	1	475.184	0.429	10	0	in-vitro	JCAEML
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000013642563	555548142	/nfs/dbraw/zinc/54/81/42/555548142.db2.gz	CQCAEOCIDCCJDQ-RQJHMYQMSA-N	-3	1	487.195	0.162	10	0	in-vitro	JCAEML
Nc1nc2c(ncn2[C@H]2C=C[C@@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000013642563	555548141	/nfs/dbraw/zinc/54/81/41/555548141.db2.gz	CQCAEOCIDCCJDQ-RQJHMYQMSA-N	-3	1	487.195	0.162	10	0	in-vitro	JCAEML
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000015721993	555956545	/nfs/dbraw/zinc/95/65/45/555956545.db2.gz	OSMTVLSRTQDWHJ-JBACZVJFSA-N	-2	1	496.520	0.905	10	0		JCAEML
COc1c(O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)cc([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000085541933	560071418	/nfs/dbraw/zinc/07/14/18/560071418.db2.gz	LNOHXHDWGCMVCO-XDNQMCPQSA-N	-2	1	460.391	0.445	10	0	biogenic,in-vitro	JCAEML
COc1c(O[C@@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)cc([O-])c2c(=O)cc(-c3ccccc3)oc12	ZINC000257475101	570153934	/nfs/dbraw/zinc/15/39/34/570153934.db2.gz	LNOHXHDWGCMVCO-SXRTWWISSA-N	-2	1	460.391	0.445	10	0		JCAEML