CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001530713	70/29/47/275702947	HDOVUKNUBWVHOX-QMMMGPOBSA-N	0	324.341	DB	-0.798	1	Anodyne	mid	DBAAMN	CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	fda
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001530713	70/29/46/275702946	HDOVUKNUBWVHOX-QMMMGPOBSA-N	1	324.341	DB	-0.798	0	Anodyne	ref	DBAARO	CC(C)[C@H]([NH3+])C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	fda
CCOC(=O)CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	ZINC000002083248	24/70/67/374247067	ZOONJGSLKPDXCV-LBPRGKRZSA-N	0	324.333	DB	-0.047	0	Anodyne	ref	DBAARN	CCOC(=O)CNC(=O)[C@H](CO)NC(=O)OCc1ccccc1	 
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
OC[C@H](O)[C@H]1O[C@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	ZINC000003830524	55/65/02/296556502	OJYGBLRPYBAHRT-BJUQCWQQSA-N	0	309.529	DB	-0.463	0	Anodyne	ref	DBAARN	OC[C@H](O)[C@H]1O[C@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	in-man
OC[C@@H](O)[C@H]1O[C@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	ZINC000003830525	82/82/56/304828256	OJYGBLRPYBAHRT-LXTYMGNCSA-N	0	309.529	DB	-0.463	0	Anodyne	ref	DBAARN	OC[C@@H](O)[C@H]1O[C@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	in-man
OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	ZINC000003860865	26/25/37/374262537	OJYGBLRPYBAHRT-IPQSZEQASA-N	0	309.529	DB	-0.463	0	Anodyne	ref	DBAARN	OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	world
OC[C@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	ZINC000005178939	83/12/84/304831284	OJYGBLRPYBAHRT-QQHYIUTGSA-N	0	309.529	DB	-0.463	0	Anodyne	ref	DBAARN	OC[C@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O	world biogenic
CN1/C(=N/C(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21	ZINC000009530996	30/69/79/374306979	SCHBPAMPXPGECB-BZZIXFRZSA-N	-1	320.392	DB	-0.032	0	Mild	ref	DBEARM	CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@H]21	 
CN1/C(=N/C(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000009530998	30/69/08/374306908	SCHBPAMPXPGECB-XROKHUORSA-N	-1	320.392	DB	-0.032	0	Mild	ref	DBEARM	CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21	 
CN1/C(=N/C(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000009530999	30/63/49/374306349	SCHBPAMPXPGECB-HXJAVRHZSA-N	-1	320.392	DB	-0.032	0	Mild	ref	DBEARM	CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@H]21	 
CN1/C(=N/C(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000009531001	30/60/07/374306007	SCHBPAMPXPGECB-NGQDWQTNSA-N	-1	320.392	DB	-0.032	0	Mild	ref	DBEARM	CN1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21	 
Cn1c(=O)c2c(nc(Br)n2CCO)n(C)c1=O	ZINC000034531340	46/86/47/374468647	NGHGTYUHXINBBV-UHFFFAOYSA-N	0	303.116	DB	-0.812	0	Anodyne	ref	DBAARN	Cn1c(=O)c2c(nc(Br)n2CCO)n(C)c1=O	 
Cn1c(CN2CCOCC2)c(Br)c(=O)n(C)c1=O	ZINC000036047713	47/49/35/374474935	KEAAOUVFSUTINT-UHFFFAOYSA-N	0	318.171	DB	-0.321	0	Anodyne	ref	DBAARN	Cn1c(CN2CCOCC2)c(Br)c(=O)n(C)c1=O