smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Br)(Br)P(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004475072	552461603	/nfs/dbraw/zinc/46/16/03/552461603.db2.gz	ILXFKEOLRYLPJG-IDTAVKCVSA-N	-4	1	719.110	1.190	50	0	in-vitro	KDAAML
CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Br)(Br)[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000004475072	552461600	/nfs/dbraw/zinc/46/16/00/552461600.db2.gz	ILXFKEOLRYLPJG-IDTAVKCVSA-N	-3	1	719.110	1.190	50	0	in-vitro	KDAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O[P@](=O)([O-])O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O	ZINC000008295154	552985395	/nfs/dbraw/zinc/98/53/95/552985395.db2.gz	AWJJLYZBWRIBCZ-UGTJMOTHSA-N	-3	1	715.398	1.467	50	0	in-vitro	KDAAML
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O	ZINC000008295154	552985392	/nfs/dbraw/zinc/98/53/92/552985392.db2.gz	AWJJLYZBWRIBCZ-UGTJMOTHSA-N	-3	1	715.398	1.467	50	0	in-vitro	KDAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C	ZINC000060045037	554497538	/nfs/dbraw/zinc/49/75/38/554497538.db2.gz	NIPLHFLTMHGVTE-NVQXNPDNSA-N	-2	1	551.596	1.809	50	0		KDAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000070699917	553617477	/nfs/dbraw/zinc/61/74/77/553617477.db2.gz	JDNWYTILYCPBSU-FQEVSTJZSA-N	-2	1	543.960	1.438	50	0	biogenic	KDAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)NCC(=O)NCC(=O)[O-]	ZINC000070699920	553617434	/nfs/dbraw/zinc/61/74/34/553617434.db2.gz	JDNWYTILYCPBSU-HXUWFJFHSA-N	-2	1	543.960	1.438	50	0	biogenic	KDAAML
COc1ccc(OC)c(NC(=O)Cc2sc(N[C@@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000102072405	554873900	/nfs/dbraw/zinc/87/39/00/554873900.db2.gz	ITQZLZFVHHMJOK-LPHOPBHVSA-N	-2	1	541.542	1.197	50	0		KDAAML
COc1ccc(OC)c(NC(=O)Cc2sc(N[C@H](c3ccc(O)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)nc2[O-])c1	ZINC000102072418	554873912	/nfs/dbraw/zinc/87/39/12/554873912.db2.gz	ITQZLZFVHHMJOK-QFBILLFUSA-N	-2	1	541.542	1.197	50	0		KDAAML
COc1ccc(Cl)cc1NC(=O)Cc1sc(N[C@@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1[O-]	ZINC000102072449	554873867	/nfs/dbraw/zinc/87/38/67/554873867.db2.gz	YUDIDSQTSFSMQD-YJBOKZPZSA-N	-2	1	545.961	1.842	50	0		KDAAML
COc1ccc(Cl)cc1NC(=O)Cc1sc(N[C@H](c2ccc(O)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)nc1[O-]	ZINC000102072458	554873929	/nfs/dbraw/zinc/87/39/29/554873929.db2.gz	YUDIDSQTSFSMQD-MAUKXSAKSA-N	-2	1	545.961	1.842	50	0		KDAAML
COc1cc([C@H](Nc2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c2c([O-])[nH]c(=O)[nH]c2=O)ccc1O	ZINC000102072577	554873919	/nfs/dbraw/zinc/87/39/19/554873919.db2.gz	IBKURDYOMOQVGR-YJBOKZPZSA-N	-2	1	529.506	1.328	50	0		KDAAML
COc1cc([C@H](Nc2nc([O-])c(CC(=O)Nc3ccccc3F)s2)c2c([O-])[nH]c(=O)[nH]c2=O)ccc1O	ZINC000102072586	554873923	/nfs/dbraw/zinc/87/39/23/554873923.db2.gz	IBKURDYOMOQVGR-QAPCUYQASA-N	-2	1	529.506	1.328	50	0		KDAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)NCC(=O)N[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)C(C)C	ZINC000245324903	572231255	/nfs/dbraw/zinc/23/12/55/572231255.db2.gz	CDWSCVRLKDBMQF-UAVUOLJFSA-N	-2	1	529.590	1.614	50	0		KDAAML
CNc1ccccc1C(=O)O[C@@H]1C[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000328578942	572146265	/nfs/dbraw/zinc/14/62/65/572146265.db2.gz	ALFDGDVXGBEMIN-MGPQQGTHSA-N	-3	1	624.333	1.307	50	0		KDAAML
CNc1ccccc1C(=O)O[C@@H]1C[C@H](n2cnc3c2ncnc3N)O[C@@H]1CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000328578942	572146260	/nfs/dbraw/zinc/14/62/60/572146260.db2.gz	ALFDGDVXGBEMIN-MGPQQGTHSA-N	-3	1	624.333	1.307	50	0		KDAAML