smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCc2nnn[n-]2)C(=O)[O-])c(F)c1	ZINC000001654736	551688075	/nfs/dbraw/zinc/68/80/75/551688075.db2.gz	IEJSCSAMMLUINT-NRFANRHFSA-N	-2	0	532.536	1.648	10	30	investigational	KDEERL
C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@H](CCc2nnn[n-]2)C(=O)[O-])c(F)c1	ZINC000003832382	561683647	/nfs/dbraw/zinc/68/36/47/561683647.db2.gz	IEJSCSAMMLUINT-OAQYLSRUSA-N	-2	0	532.536	1.648	10	30		KDEERL
C=C1[C@H]2C[C@@]3(CC[C@@H]4C(C(=O)[O-])(C(=O)[O-])C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)CC(C)C)C[C@@]4(C)[C@@H]3CC2)[C@H]1O	ZINC000049889197	291685662	/nfs/dbraw/zinc/68/56/62/291685662.db2.gz	ONMAWHWGRYJWEX-LNQSNDDKSA-N	-2	0	610.697	1.468	10	30		KDEERL
C=C1[C@H]2C[C@@]3(CC[C@H]4C(C(=O)[O-])(C(=O)[O-])C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)CC(C)C)C[C@@]4(C)[C@@H]3CC2)[C@H]1O	ZINC000077257065	553654700	/nfs/dbraw/zinc/65/47/00/553654700.db2.gz	ONMAWHWGRYJWEX-OCSSFTTOSA-N	-2	0	610.697	1.468	10	30		KDEERL
CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000096014545	574417161	/nfs/dbraw/zinc/41/71/61/574417161.db2.gz	MGNBGCRQQFMNBM-YJHHLLFWSA-N	-4	0	919.778	1.581	10	30	endogenous,in-man	KDEERL
CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000096095473	574417187	/nfs/dbraw/zinc/41/71/87/574417187.db2.gz	WLDUTYVSAGSKIV-FUEUKBNZSA-N	-4	0	907.767	1.415	10	30	endogenous,in-man	KDEERL
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562597	562844929	/nfs/dbraw/zinc/84/49/29/562844929.db2.gz	NFZJAYYORNVZNI-BCOCQYLDSA-N	-2	0	638.578	1.851	10	30		KDEERL
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@H](C)[C@@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000150562601	562844932	/nfs/dbraw/zinc/84/49/32/562844932.db2.gz	NFZJAYYORNVZNI-JKTHDUNSSA-N	-2	0	638.578	1.851	10	30		KDEERL
COC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C([O-])=C4C(=O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OC)O5)c(O)c3C([O-])=C1C(=O)C[C@H](C)[C@@H]2O	ZINC000195289078	562871629	/nfs/dbraw/zinc/87/16/29/562871629.db2.gz	NFZJAYYORNVZNI-PBAWWTFPSA-N	-2	0	638.578	1.851	10	30		KDEERL
CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000230024258	574420112	/nfs/dbraw/zinc/42/01/12/574420112.db2.gz	KQMZYOXOBSXMII-ZBWAGTGGSA-N	-4	0	893.740	1.025	10	30	endogenous,in-man	KDEERL