COC(=O)c1cc(I)cc(C(=O)OC)c1	ZINC000002571860	68/94/79/406689479	DIAONVDUSXRXCE-UHFFFAOYSA-N	0	320.082	DD	1.864	0	Anodyne	ref	DDAARN	COC(=O)c1cc(I)cc(C(=O)OC)c1	 
COC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1	ZINC000038339128	00/05/41/407000541	GDEKSBCRJKAARB-UHFFFAOYSA-N	0	312.329	DD	1.405	0	Anodyne	ref	DDAARN	COC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1	in-vitro
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2c1CC=N2	ZINC000103526189	34/17/62/407341762	YFAWZABOWRPSKL-YPMHNXCESA-N	1	312.377	DD	1.322	1	Mild	mid	DDEBMO	C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1[nH+]cnc2[nH]ccc12	 
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2c1CC=N2	ZINC000103526189	34/17/60/407341760	YFAWZABOWRPSKL-YPMHNXCESA-N	0	312.377	DD	1.322	0	Mild	ref	DDEBRN	C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12