CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21	ZINC000000057466	23/21/72/375232172	JOHZPMXAZQZXHR-UHFFFAOYSA-N	-1	303.322	DB	-0.081	3	Anodyne	high	DBAAHM	CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCNCC3)nc21	world biogenic
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21	ZINC000000057466	23/21/58/375232158	JOHZPMXAZQZXHR-UHFFFAOYSA-N	0	303.322	DB	-0.081	0	Anodyne	ref	DBAARN	CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CC[NH2+]CC3)nc21	world biogenic
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
CC(C)[C@@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001851155	67/30/64/275673064	HDOVUKNUBWVHOX-MRVPVSSYSA-N	0	324.341	DB	-0.798	1	Anodyne	mid	DBAAMN	CC(C)[C@@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	in-vitro
CC(C)[C@@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	ZINC000001851155	67/30/63/275673063	HDOVUKNUBWVHOX-MRVPVSSYSA-N	1	324.341	DB	-0.798	0	Anodyne	ref	DBAARO	CC(C)[C@@H]([NH3+])C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21	in-vitro
O=c1c(-n2ccnn2)c[nH]n1-c1cc(N2CCOCC2)ncn1	ZINC000167006010	70/20/81/197702081	IJMBOKOTALXLKS-UHFFFAOYSA-N	-1	314.309	DB	-0.627	0	Anodyne	ref	DBAARM	O=c1c(-n2ccnn2)c[n-]n1-c1cc(N2CCOCC2)ncn1	in-vitro