COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC	ZINC000000548764	23/62/19/374236219	XGQJGMGAMHFMAO-UHFFFAOYSA-N	0	318.33	DB	-0.471	0	Anodyne	ref	DBAARN	COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC	 
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000002169837	36/03/19/380360319	IHNHAHWGVLXCCI-FDYHWXHSSA-N	0	318.278	DB	-0.299	0	Anodyne	ref	DBAARN	CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	in-vitro
O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O	ZINC000003803518	04/61/72/181046172	VMMKGHQPQIEGSQ-UHFFFAOYSA-N	-4	322.15	DB	-0.122	3	Anodyne	high	DBAAHL	O=P([O-])([O-])C(O)(Cc1cnc2ccccn12)P(=O)([O-])[O-]	in-man
CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1	ZINC000013546310	38/02/76/380380276	LIEKLUBCIPVWQD-WOUKDFQISA-N	-1	308.294	DB	-0.471	3	Anodyne	high	DBAAHM	CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(=O)[n-]cnc43)[C@@H]2O1	 
CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1	ZINC000013546310	38/02/59/380380259	LIEKLUBCIPVWQD-WOUKDFQISA-N	0	308.294	DB	-0.471	0	Anodyne	ref	DBAARN	CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(=O)[nH]cnc43)[C@@H]2O1	 
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000032911572	67/84/28/182678428	IHNHAHWGVLXCCI-LPWJVIDDSA-N	0	318.278	DB	-0.299	0	Anodyne	ref	DBAARN	CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	 
O=P(O)(O)c1ccnc(-c2cc(P(=O)(O)O)ccn2)c1	ZINC000034752479	07/64/80/381076480	MQBIGZBUVUVDKE-UHFFFAOYSA-N	-4	316.146	DB	-0.25	0	Anodyne	ref	DBAARL	O=P([O-])([O-])c1ccnc(-c2cc(P(=O)([O-])[O-])ccn2)c1	 
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)c1cc(=O)[nH]c(O)n1	ZINC000045201922	69/92/65/379699265	VOTPLFCPIRIALF-SSDOTTSWSA-O	-1	300.291	DB	-0.818	3	Bother	high	DBBBHM	C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1cc(=O)[n-]c(=O)[nH]1	 
C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)c1cc(=O)[nH]c(O)n1	ZINC000045201922	69/92/42/379699242	VOTPLFCPIRIALF-SSDOTTSWSA-O	0	300.291	DB	-0.818	0	Bother	ref	DBBBRN	C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1	 
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)c1cc(=O)[nH]c(O)n1	ZINC000055161909	69/94/39/379699439	VOTPLFCPIRIALF-ZETCQYMHSA-O	-1	300.291	DB	-0.818	3	Bother	high	DBBBHM	C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)c1cc(=O)[n-]c(=O)[nH]1	 
C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)c1cc(=O)[nH]c(O)n1	ZINC000055161909	69/94/18/379699418	VOTPLFCPIRIALF-ZETCQYMHSA-O	0	300.291	DB	-0.818	0	Bother	ref	DBBBRN	C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)c1cc(=O)[nH]c(=O)[nH]1	 
CC1(C)O[C@@H]2[C@@H](CN)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1	ZINC000085221271	48/36/97/192483697	RGJLVQRLOVOJRF-WOUKDFQISA-N	1	306.326	DB	-0.215	0	Anodyne	ref	DBAARO	CC1(C)O[C@@H]2[C@@H](C[NH3+])O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1