C#CCCCC(=O)NCCCCCCCC	ZINC000758002765	BG	On-Demand	Mild	EPHX2	15	63
C#CCCCC(=O)NCCCCCCCC	ZINC000758002765	BG	On-Demand	Mild	ASAH1	84	33
C#CCCCC(=O)NCCCCCCCC	ZINC000758002765	BG	On-Demand	Mild	NOD1	48	43
C#CCCCC(=O)NCCCCCCCC	ZINC000758002765	BG	On-Demand	Mild	CQSS	51	32
CNC(=O)NNC(=O)CCCCCCC(C)=O	ZINC000758002962	BC	On-Demand	Reactive	PAOX	44	40
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	CES2	58	47
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	CES1	58	41
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	EST1_PIG	86	47
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	CES2C	68	47
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	ASAH1	98	39
CCCCCCCCNC(=O)CC(C)(F)F	ZINC000758006465	BH	On-Demand	Mild	CQSS	48	30
COC(=O)N[C@H](CC(C)C)C(=O)OC[C@@H](C)CS(C)(=O)=O	ZINC000758006584	DC	On-Demand	Anodyne	CAPN1	21	43
COC(=O)N[C@H](CC(C)C)C(=O)OC[C@H](C)CS(C)(=O)=O	ZINC000758006585	DC	On-Demand	Anodyne	CAPN1	21	43
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758026573	HB	On-Demand	Reactive	PAPA1_CARPA	36	56
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758026573	HB	On-Demand	Reactive	FPR1	55	49
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758026574	HB	On-Demand	Reactive	PAPA1_CARPA	36	56
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758026574	HB	On-Demand	Reactive	FPR1	55	49
CCCCCS(=O)(=O)CC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758028283	FA	On-Demand	Reactive	EST1_PIG	24	40
CCCCCS(=O)(=O)CC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758028286	FA	On-Demand	Reactive	EST1_PIG	24	40
CCCCSCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758034542	DB	On-Demand	Reactive	EST1_PIG	43	37
CCCCSCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758034544	DB	On-Demand	Reactive	EST1_PIG	43	37
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040389	HB	On-Demand	Reactive	PAPA1_CARPA	38	43
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040389	HB	On-Demand	Reactive	CTSK	15	43
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040389	HB	On-Demand	Reactive	POLG_HCV1	34	48
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040389	HB	On-Demand	Reactive	FPR1	49	39
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040390	HB	On-Demand	Reactive	PAPA1_CARPA	38	43
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040390	HB	On-Demand	Reactive	CTSK	15	43
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040390	HB	On-Demand	Reactive	POLG_HCV1	34	48
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040390	HB	On-Demand	Reactive	FPR1	49	39
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040391	HB	On-Demand	Reactive	PAPA1_CARPA	38	43
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040391	HB	On-Demand	Reactive	CTSK	15	43
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040391	HB	On-Demand	Reactive	POLG_HCV1	34	48
C[C@@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040391	HB	On-Demand	Reactive	FPR1	49	39
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040392	HB	On-Demand	Reactive	PAPA1_CARPA	38	43
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040392	HB	On-Demand	Reactive	CTSK	15	43
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040392	HB	On-Demand	Reactive	POLG_HCV1	34	48
C[C@H](NS(C)(=O)=O)C(=O)NNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758040392	HB	On-Demand	Reactive	FPR1	49	39
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758043223	GB	On-Demand	Reactive	PAPA1_CARPA	37	53
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758043223	GB	On-Demand	Reactive	CTSK	20	44
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758043223	GB	On-Demand	Reactive	CAPN1	16	45
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758043223	GB	On-Demand	Reactive	PGA5	23	42
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758043223	GB	On-Demand	Reactive	FPR1	43	36
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758043229	GB	On-Demand	Reactive	PAPA1_CARPA	37	53
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758043229	GB	On-Demand	Reactive	CTSK	20	44
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758043229	GB	On-Demand	Reactive	CAPN1	16	45
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758043229	GB	On-Demand	Reactive	PGA5	23	42
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758043229	GB	On-Demand	Reactive	FPR1	43	36
CCOC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047261	FA	On-Demand	Reactive	PAPA1_CARPA	51	33
CCOC(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047261	FA	On-Demand	Reactive	HLA-DRB1	60	40
CCOC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047263	FA	On-Demand	Reactive	PAPA1_CARPA	51	33
CCOC(=O)N[C@@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047263	FA	On-Demand	Reactive	HLA-DRB1	60	40
CCOC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047265	FA	On-Demand	Reactive	PAPA1_CARPA	51	33
CCOC(=O)N[C@H](C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047265	FA	On-Demand	Reactive	HLA-DRB1	60	40
CCOC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047268	FA	On-Demand	Reactive	PAPA1_CARPA	51	33
CCOC(=O)N[C@@H](C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O)C(C)C	ZINC000758047268	FA	On-Demand	Reactive	HLA-DRB1	60	40
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758048288	HB	On-Demand	Reactive	PAPA1_CARPA	36	56
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758048288	HB	On-Demand	Reactive	FPR1	55	49
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758048289	HB	On-Demand	Reactive	PAPA1_CARPA	36	56
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758048289	HB	On-Demand	Reactive	FPR1	55	49
CCCCCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758049444	DC	On-Demand	Reactive	NOD1	63	40
CCCCCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758049444	DC	On-Demand	Reactive	CQSS	59	38
CCCCCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758049445	DC	On-Demand	Reactive	NOD1	63	40
CCCCCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758049445	DC	On-Demand	Reactive	CQSS	59	38
CCCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758057600	CC	On-Demand	Reactive	NOD1	63	40
CCCCCCC(=O)NNC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758057600	CC	On-Demand	Reactive	CQSS	59	38
CCCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758057605	CC	On-Demand	Reactive	NOD1	63	40
CCCCCCC(=O)NNC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758057605	CC	On-Demand	Reactive	CQSS	59	38
C#CCCCC(=O)N[C@H](C#C)CCC	ZINC000758077114	AD	On-Demand	Mild	NOD1	54	36
C#CCCCC(=O)N[C@@H](C#C)CCC	ZINC000758077115	AD	On-Demand	Mild	NOD1	54	36
CCOCCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000758093414	CD	On-Demand	Anodyne	CES2	28	41
CCOCCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000758093414	CD	On-Demand	Anodyne	CES2C	32	41
CCOCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000758114070	CC	On-Demand	Anodyne	CES2	48	40
CCOCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000758114070	CC	On-Demand	Anodyne	EST1_PIG	68	40
CCOCCCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC000758114070	CC	On-Demand	Anodyne	CES2C	57	40
C#CCNC(=S)N[C@H](C)CCCCCC	ZINC000758170448	BE	On-Demand	Mild	NOD1	41	32
C#CCNC(=S)N[C@@H](C)CCCCCC	ZINC000758170449	BE	On-Demand	Mild	NOD1	41	32
C#CCNC(=S)NCCCCCCNC(=S)NCC#C	ZINC000758173868	DC	On-Demand	Mild	PAO	19	47
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183802	DG	On-Demand	Anodyne	PAPA1_CARPA	37	43
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183802	DG	On-Demand	Anodyne	CTSK	37	47
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183802	DG	On-Demand	Anodyne	PGA5	25	46
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183803	DG	On-Demand	Anodyne	PAPA1_CARPA	37	43
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183803	DG	On-Demand	Anodyne	CTSK	37	47
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183803	DG	On-Demand	Anodyne	PGA5	25	46
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183804	DG	On-Demand	Anodyne	PAPA1_CARPA	37	43
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183804	DG	On-Demand	Anodyne	CTSK	37	47
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)C(C)C	ZINC000758183804	DG	On-Demand	Anodyne	PGA5	25	46
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183805	DG	On-Demand	Anodyne	PAPA1_CARPA	37	43
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183805	DG	On-Demand	Anodyne	CTSK	37	47
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)C(C)C	ZINC000758183805	DG	On-Demand	Anodyne	PGA5	25	46
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CC(C)(C)C	ZINC000758185260	DH	On-Demand	Anodyne	CTSK	26	48
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CC(C)(C)C	ZINC000758185261	DH	On-Demand	Anodyne	CTSK	26	48
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)CC	ZINC000758199791	DH	On-Demand	Anodyne	CTSK	27	48
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)CC	ZINC000758199792	DH	On-Demand	Anodyne	CTSK	27	48
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)NS(C)(=O)=O	ZINC000758202054	GD	On-Demand	Anodyne	CTSK	18	43
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)NS(C)(=O)=O	ZINC000758202058	GD	On-Demand	Anodyne	CTSK	18	43
CC/C=C(/C)C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758213040	DH	On-Demand	Anodyne	CTSK	29	48
CC/C=C(/C)C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758213043	DH	On-Demand	Anodyne	CTSK	29	48
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CN(C)S(C)(=O)=O	ZINC000758214035	FD	On-Demand	Anodyne	CTSK	15	43
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CN(C)S(C)(=O)=O	ZINC000758214037	FD	On-Demand	Anodyne	CTSK	15	43
C/C=C/C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758215077	CF	On-Demand	Anodyne	CTSK	29	49
C/C=C\C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758215078	CF	On-Demand	Anodyne	CTSK	29	49
C/C=C/C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758215080	CF	On-Demand	Anodyne	CTSK	29	49
C/C=C\C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758215082	CF	On-Demand	Anodyne	CTSK	29	49
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217579	FD	On-Demand	Anodyne	PAPA1_CARPA	33	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217579	FD	On-Demand	Anodyne	CTSK	27	44
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217579	FD	On-Demand	Anodyne	PGA5	23	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217584	FD	On-Demand	Anodyne	PAPA1_CARPA	33	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217584	FD	On-Demand	Anodyne	CTSK	27	44
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217584	FD	On-Demand	Anodyne	PGA5	23	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217588	FD	On-Demand	Anodyne	PAPA1_CARPA	33	41
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217588	FD	On-Demand	Anodyne	CTSK	27	44
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)S(C)(=O)=O	ZINC000758217588	FD	On-Demand	Anodyne	PGA5	23	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217591	FD	On-Demand	Anodyne	PAPA1_CARPA	33	41
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217591	FD	On-Demand	Anodyne	CTSK	27	44
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)S(C)(=O)=O	ZINC000758217591	FD	On-Demand	Anodyne	PGA5	23	41
C#CCNC(=S)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C	ZINC000758233485	DE	On-Demand	Mild	CTSK	15	51
C#CCNC(=S)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C	ZINC000758233485	DE	On-Demand	Mild	FPR1	40	35
C#CCNC(=S)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C	ZINC000758233487	DE	On-Demand	Mild	CTSK	15	51
C#CCNC(=S)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C	ZINC000758233487	DE	On-Demand	Mild	FPR1	40	35
C#CCNC(=S)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758240265	DE	On-Demand	Mild	PAPA1_CARPA	33	42
C#CCNC(=S)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758240265	DE	On-Demand	Mild	CTSK	22	45
C#CCNC(=S)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758240267	DE	On-Demand	Mild	PAPA1_CARPA	33	42
C#CCNC(=S)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758240267	DE	On-Demand	Mild	CTSK	22	45
CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C	ZINC000758247663	DF	On-Demand	Mild	PDF	44	40
CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C(=O)OC)C(C)(C)C	ZINC000758247667	DF	On-Demand	Mild	PDF	44	40
C#CCNC(=S)NCCCCCCCNC(=S)NCC#C	ZINC000758253539	DD	On-Demand	Mild	PAO	19	47
CCCCCC[C@](C)(CC)C(=O)NC[C@H](O)C(F)(F)F	ZINC000758269419	CG	On-Demand	Anodyne	CES2	48	39
CCCCCC[C@](C)(CC)C(=O)NC[C@H](O)C(F)(F)F	ZINC000758269419	CG	On-Demand	Anodyne	EST1_PIG	62	33
CCCCCC[C@](C)(CC)C(=O)NC[C@H](O)C(F)(F)F	ZINC000758269419	CG	On-Demand	Anodyne	CES2C	56	39
CCCCCC[C@](C)(CC)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000758269451	CG	On-Demand	Anodyne	CES2	48	39
CCCCCC[C@](C)(CC)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000758269451	CG	On-Demand	Anodyne	EST1_PIG	62	33
CCCCCC[C@](C)(CC)C(=O)NC[C@@H](O)C(F)(F)F	ZINC000758269451	CG	On-Demand	Anodyne	CES2C	56	39
C[C@H](CC(=O)NCCC(=O)NC(N)=O)NC(=O)OC(C)(C)C	ZINC000758297562	DB	On-Demand	Anodyne	ECE1	27	46
C[C@@H](CC(=O)NCCC(=O)NC(N)=O)NC(=O)OC(C)(C)C	ZINC000758297563	DB	On-Demand	Anodyne	ECE1	27	46
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298186	FC	On-Demand	Anodyne	PAPA1_CARPA	38	62
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298186	FC	On-Demand	Anodyne	CCKAR	17	60
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298186	FC	On-Demand	Anodyne	FPR1	23	45
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298196	FC	On-Demand	Anodyne	PAPA1_CARPA	38	62
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298196	FC	On-Demand	Anodyne	CCKAR	17	60
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC(N)=O	ZINC000758298196	FC	On-Demand	Anodyne	FPR1	23	45
CCCCSCC(=O)NCCC(=O)NC(N)=O	ZINC000758300016	CC	On-Demand	Anodyne	CES1	16	40
CCCCSCC(=O)NCCC(=O)NC(N)=O	ZINC000758300016	CC	On-Demand	Anodyne	EST1_PIG	46	40
CCCCCC[C@](C)(CCC)C(=O)N(C)CCO	ZINC000758308480	CG	On-Demand	Anodyne	CQSS	49	30
C/C=C(/C)C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758342256	CG	On-Demand	Anodyne	CTSK	29	49
C/C=C(/C)C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758342257	CG	On-Demand	Anodyne	CTSK	29	49
C/C=C(\C)C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758342258	CG	On-Demand	Anodyne	CTSK	29	49
C/C=C(\C)C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C	ZINC000758342259	CG	On-Demand	Anodyne	CTSK	29	49
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343710	DE	On-Demand	Anodyne	PAPA1_CARPA	33	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343710	DE	On-Demand	Anodyne	CTSK	30	45
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343710	DE	On-Demand	Anodyne	PGA5	23	42
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343711	DE	On-Demand	Anodyne	PAPA1_CARPA	33	42
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343711	DE	On-Demand	Anodyne	CTSK	30	45
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)N(C)C	ZINC000758343711	DE	On-Demand	Anodyne	PGA5	23	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(F)(F)C(F)F	ZINC000758344882	EG	On-Demand	Anodyne	CTSK	22	45
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(F)(F)C(F)F	ZINC000758344882	EG	On-Demand	Anodyne	PGA5	21	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(F)(F)C(F)F	ZINC000758344891	EG	On-Demand	Anodyne	CTSK	22	45
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(F)(F)C(F)F	ZINC000758344891	EG	On-Demand	Anodyne	PGA5	21	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758345243	FD	On-Demand	Anodyne	CTSK	24	42
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758345243	FD	On-Demand	Anodyne	PGA5	22	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758345261	FD	On-Demand	Anodyne	CTSK	24	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758345261	FD	On-Demand	Anodyne	PGA5	22	40
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758345269	FD	On-Demand	Anodyne	CTSK	24	42
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758345269	FD	On-Demand	Anodyne	PGA5	22	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758345274	FD	On-Demand	Anodyne	CTSK	24	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758345274	FD	On-Demand	Anodyne	PGA5	22	40
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)CS(=O)(=O)NC	ZINC000758345760	FC	On-Demand	Anodyne	CTSK	19	43
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CS(=O)(=O)NC	ZINC000758345763	FC	On-Demand	Anodyne	CTSK	19	43
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)S(C)(=O)=O	ZINC000758346713	FE	On-Demand	Anodyne	CTSK	24	48
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)(C)S(C)(=O)=O	ZINC000758346715	FE	On-Demand	Anodyne	CTSK	24	48
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)=C(C)C	ZINC000758346956	DH	On-Demand	Anodyne	CTSK	30	47
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(C)=C(C)C	ZINC000758346958	DH	On-Demand	Anodyne	CTSK	30	47
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)/C=C/SC	ZINC000758347556	DG	On-Demand	Anodyne	CTSK	24	46
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)/C=C\SC	ZINC000758347557	DG	On-Demand	Anodyne	CTSK	24	46
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)/C=C/SC	ZINC000758347559	DG	On-Demand	Anodyne	CTSK	24	46
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)/C=C\SC	ZINC000758347562	DG	On-Demand	Anodyne	CTSK	24	46
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347775	CE	On-Demand	Anodyne	PAPA1_CARPA	35	45
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347775	CE	On-Demand	Anodyne	CTSK	33	52
CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347775	CE	On-Demand	Anodyne	PGA5	23	42
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347777	CE	On-Demand	Anodyne	PAPA1_CARPA	35	45
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347777	CE	On-Demand	Anodyne	CTSK	33	52
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OC	ZINC000758347777	CE	On-Demand	Anodyne	PGA5	23	42
C#CCCCC(=O)N[C@@H](CCCCC)C(C)(C)C	ZINC000758367226	CH	On-Demand	Mild	CELA2A	15	51
C#CCCCC(=O)N[C@@H](CCCCC)C(C)(C)C	ZINC000758367226	CH	On-Demand	Mild	NOD1	68	40
C#CCCCC(=O)N[C@H](CCCCC)C(C)(C)C	ZINC000758367229	CH	On-Demand	Mild	CELA2A	15	51
C#CCCCC(=O)N[C@H](CCCCC)C(C)(C)C	ZINC000758367229	CH	On-Demand	Mild	NOD1	68	40
CC(C)[C@H](CNC(=O)C(C)(C)NC(=O)C(F)(F)F)NC(=O)OC(C)(C)C	ZINC000758369025	GE	On-Demand	Anodyne	CTSK	15	43
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410051	DE	On-Demand	Mild	MMP2	17	41
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410051	DE	On-Demand	Mild	MMP8	20	41
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410051	DE	On-Demand	Mild	CAPN1	26	49
CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410051	DE	On-Demand	Mild	MMP9	16	41
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410052	DE	On-Demand	Mild	MMP2	17	41
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410052	DE	On-Demand	Mild	MMP8	20	41
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410052	DE	On-Demand	Mild	CAPN1	26	49
CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC	ZINC000758410052	DE	On-Demand	Mild	MMP9	16	41
C#CCCCC(=O)N[C@H](C)C(=O)OCC	ZINC000758414781	BC	On-Demand	Mild	NOD1	71	38
C#CCCCC(=O)N[C@@H](C)C(=O)OCC	ZINC000758414784	BC	On-Demand	Mild	NOD1	71	38
CCOC(=O)[C@H](C)NC(=O)[C@H](C)CC(=O)OC	ZINC000758446843	BC	On-Demand	Anodyne	HLA-DRB1	42	33
CCOC(=O)[C@H](C)NC(=O)[C@@H](C)CC(=O)OC	ZINC000758446844	BC	On-Demand	Anodyne	HLA-DRB1	42	33
CN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758469417	FD	On-Demand	Anodyne	POLG_HCV1	26	45
CN(C[C@H](O)C(F)(F)F)C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C	ZINC000758469420	FD	On-Demand	Anodyne	POLG_HCV1	26	45
CCCCCNC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758469736	CB	On-Demand	Anodyne	ASAH1	60	34
CCCCCNC(=O)COC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758469738	CB	On-Demand	Anodyne	ASAH1	60	34
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758470517	FE	On-Demand	Anodyne	PAPA1_CARPA	26	51
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758470519	FE	On-Demand	Anodyne	PAPA1_CARPA	26	51
CN(C[C@H](O)C(F)(F)F)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000758474985	HC	On-Demand	Anodyne	PAPA1_CARPA	33	40
CN(C[C@H](O)C(F)(F)F)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000758474985	HC	On-Demand	Anodyne	CTSK	15	40
CN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000758474988	HC	On-Demand	Anodyne	PAPA1_CARPA	33	40
CN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C	ZINC000758474988	HC	On-Demand	Anodyne	CTSK	15	40
CCCCCCCCC(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477496	CG	On-Demand	Mild	CES2	52	44
CCCCCCCCC(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477496	CG	On-Demand	Mild	CES1	52	44
CCCCCCCCC(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477496	CG	On-Demand	Mild	EST1_PIG	74	44
CCCCCCCCC(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477496	CG	On-Demand	Mild	CES2C	59	36
CCCCCCCCC(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477496	CG	On-Demand	Mild	CQSS	65	41
CCCCCCCCC(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477497	CG	On-Demand	Mild	CES2	52	44
CCCCCCCCC(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477497	CG	On-Demand	Mild	CES1	52	44
CCCCCCCCC(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477497	CG	On-Demand	Mild	EST1_PIG	74	44
CCCCCCCCC(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477497	CG	On-Demand	Mild	CES2C	59	36
CCCCCCCCC(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477497	CG	On-Demand	Mild	CQSS	65	41
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)C(F)(F)F	ZINC000758477964	FE	On-Demand	Anodyne	PAPA1_CARPA	26	51
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)C(F)(F)F	ZINC000758477967	FE	On-Demand	Anodyne	PAPA1_CARPA	26	51
C=CCC(CC=C)C(=O)N[C@@H](CN(C)C)C(C)C	ZINC000758484746	CE	On-Demand	Mild	PDF	64	45
C=CCC(CC=C)C(=O)N[C@H](CN(C)C)C(C)C	ZINC000758484750	CE	On-Demand	Mild	PDF	64	45
CCCCC[C@@H](C)NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758488113	DC	On-Demand	Anodyne	NOD1	68	34
CCCCC[C@@H](C)NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758488114	DC	On-Demand	Anodyne	NOD1	68	34
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758488130	FB	On-Demand	Anodyne	PGA	18	41
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758488130	FB	On-Demand	Anodyne	CAPN1	15	42
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758488132	FB	On-Demand	Anodyne	PGA	18	41
COC(=O)[C@@H](CC(C)C)NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758488132	FB	On-Demand	Anodyne	CAPN1	15	42
CCCCCNC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758490948	DC	On-Demand	Anodyne	ASAH1	59	32
CCCCCNC(=O)[C@H](C)OC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758490949	DC	On-Demand	Anodyne	ASAH1	59	32
CCCCCNC(=O)[C@@H](C)OC(=O)[C@H](C)NS(C)(=O)=O	ZINC000758490950	DC	On-Demand	Anodyne	ASAH1	59	32
CCCCCNC(=O)[C@H](C)OC(=O)[C@@H](C)NS(C)(=O)=O	ZINC000758490976	DC	On-Demand	Anodyne	ASAH1	59	32