smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2CO[P@](=O)([O-])O	ZINC000014210883	553506318	/nfs/dbraw/zinc/50/63/18/553506318.db2.gz	SWMDAPWAQQTBOG-UHFFFAOYSA-N	-1	2	583.498	1.168	40	0	investigational	KDABLM
COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2CO[P@@](=O)([O-])O	ZINC000014210883	553506315	/nfs/dbraw/zinc/50/63/15/553506315.db2.gz	SWMDAPWAQQTBOG-UHFFFAOYSA-N	-1	2	583.498	1.168	40	0	investigational	KDABLM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3c[nH]c4cccnc4c3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000059817121	554431049	/nfs/dbraw/zinc/43/10/49/554431049.db2.gz	XMQVYNAURODYCQ-SLFBBCNNSA-N	-1	2	521.555	1.438	40	0	in-man	KDABLM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C(=O)N1CCOCC1	ZINC000060028273	554491780	/nfs/dbraw/zinc/49/17/80/554491780.db2.gz	SPZLARNIWGSKRU-UHFFFAOYSA-N	-1	2	533.588	1.559	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@](=O)([O-])O	ZINC000072186775	553645711	/nfs/dbraw/zinc/64/57/11/553645711.db2.gz	LIQODXNTTZAGID-SAPQTMCRSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@@](=O)([O-])O	ZINC000072186775	553645708	/nfs/dbraw/zinc/64/57/08/553645708.db2.gz	LIQODXNTTZAGID-SAPQTMCRSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@](=O)([O-])O	ZINC000072186776	553645668	/nfs/dbraw/zinc/64/56/68/553645668.db2.gz	LIQODXNTTZAGID-WMUSXQAUSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@@](=O)([O-])O	ZINC000072186776	553645667	/nfs/dbraw/zinc/64/56/67/553645667.db2.gz	LIQODXNTTZAGID-WMUSXQAUSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@](=O)([O-])O	ZINC000072186777	553645651	/nfs/dbraw/zinc/64/56/51/553645651.db2.gz	LIQODXNTTZAGID-KDGBNKRASA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@@](=O)([O-])O	ZINC000072186777	553645650	/nfs/dbraw/zinc/64/56/50/553645650.db2.gz	LIQODXNTTZAGID-KDGBNKRASA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@](=O)([O-])O	ZINC000072186778	553645725	/nfs/dbraw/zinc/64/57/25/553645725.db2.gz	LIQODXNTTZAGID-ZNSFQJNCSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@H](C)O[C@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@@](=O)([O-])O	ZINC000072186778	553645723	/nfs/dbraw/zinc/64/57/23/553645723.db2.gz	LIQODXNTTZAGID-ZNSFQJNCSA-N	-1	2	668.541	1.105	40	0		KDABLM
CCCc1[nH+]c(C(C)(C)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000077312056	553663394	/nfs/dbraw/zinc/66/33/94/553663394.db2.gz	WEKAQESFGDVLAF-UMWNSNATSA-N	-1	2	622.635	1.573	40	0	in-vitro	KDABLM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150340546	571457860	/nfs/dbraw/zinc/45/78/60/571457860.db2.gz	NONBZTYCHSGHGG-KRCBVYEFSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150340546	571457859	/nfs/dbraw/zinc/45/78/59/571457859.db2.gz	NONBZTYCHSGHGG-KRCBVYEFSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150485013	571515650	/nfs/dbraw/zinc/51/56/50/571515650.db2.gz	NONBZTYCHSGHGG-SKKKGAJSSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000150485013	571515649	/nfs/dbraw/zinc/51/56/49/571515649.db2.gz	NONBZTYCHSGHGG-SKKKGAJSSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000150663790	571528451	/nfs/dbraw/zinc/52/84/51/571528451.db2.gz	HULKIXRFKRCRHD-JLLPCOHGSA-N	-1	2	765.699	1.061	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000150663790	571528450	/nfs/dbraw/zinc/52/84/50/571528450.db2.gz	HULKIXRFKRCRHD-JLLPCOHGSA-N	-1	2	765.699	1.061	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000150668037	571528735	/nfs/dbraw/zinc/52/87/35/571528735.db2.gz	HULKIXRFKRCRHD-MOUTVQLLSA-N	-1	2	765.699	1.061	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000150668037	571528734	/nfs/dbraw/zinc/52/87/34/571528734.db2.gz	HULKIXRFKRCRHD-MOUTVQLLSA-N	-1	2	765.699	1.061	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997219	1066405935	/nfs/dbraw/zinc/40/59/35/1066405935.db2.gz	NONBZTYCHSGHGG-CSBHBGLHSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997219	1066405927	/nfs/dbraw/zinc/40/59/27/1066405927.db2.gz	NONBZTYCHSGHGG-CSBHBGLHSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997223	1066406116	/nfs/dbraw/zinc/40/61/16/1066406116.db2.gz	NONBZTYCHSGHGG-GKIKGMKOSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997223	1066406112	/nfs/dbraw/zinc/40/61/12/1066406112.db2.gz	NONBZTYCHSGHGG-GKIKGMKOSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997228	1066406061	/nfs/dbraw/zinc/40/60/61/1066406061.db2.gz	NONBZTYCHSGHGG-XAZDILKDSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(C)cc(=O)oc2c1	ZINC000197997228	1066406055	/nfs/dbraw/zinc/40/60/55/1066406055.db2.gz	NONBZTYCHSGHGG-XAZDILKDSA-N	-1	2	784.783	1.028	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000255977513	572304475	/nfs/dbraw/zinc/30/44/75/572304475.db2.gz	HULKIXRFKRCRHD-YCAMKHIRSA-N	-1	2	765.699	1.061	40	0		KDABLM
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(=O)[O-])C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F	ZINC000255977513	572304473	/nfs/dbraw/zinc/30/44/73/572304473.db2.gz	HULKIXRFKRCRHD-YCAMKHIRSA-N	-1	2	765.699	1.061	40	0		KDABLM
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@](=O)([O-])O	ZINC000299754547	572134357	/nfs/dbraw/zinc/13/43/57/572134357.db2.gz	LIQODXNTTZAGID-KZGYPRJBSA-N	-1	2	668.541	1.105	40	0		KDABLM
COc1cc([C@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O[P@@](=O)([O-])O	ZINC000299754547	572134353	/nfs/dbraw/zinc/13/43/53/572134353.db2.gz	LIQODXNTTZAGID-KZGYPRJBSA-N	-1	2	668.541	1.105	40	0		KDABLM