C=CCNC(=O)CNC(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000777515067	CC	On-Demand	Mild	CTSK	15	42
C=CCNC(=O)CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000777515068	CC	On-Demand	Mild	CTSK	15	42
C=CCNC(=O)CNC(=O)CSCCCC	ZINC000777515493	BC	On-Demand	Mild	CES1	17	41
C=CCNC(=O)CNC(=O)CSCCCC	ZINC000777515493	BC	On-Demand	Mild	EST1_PIG	47	41
C=CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000777516014	EB	On-Demand	Mild	PAPA1_CARPA	37	41
C=CCNC(=O)CNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000777516014	EB	On-Demand	Mild	ECE1	23	40
C=CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000777516015	EB	On-Demand	Mild	PAPA1_CARPA	37	41
C=CCNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000777516015	EB	On-Demand	Mild	ECE1	23	40
C=CCN(C)C(=O)N[C@H](CCCCC)C(C)(C)C	ZINC000777530274	CH	On-Demand	Mild	PDF	49	38
C=CCN(C)C(=O)N[C@@H](CCCCC)C(C)(C)C	ZINC000777530284	CH	On-Demand	Mild	PDF	49	38
C=CCN(C)C(=O)NCCCCCCCC	ZINC000777611436	BG	On-Demand	Mild	ASAH1	76	35
C=C(C)CNC(=O)NCCCCCC	ZINC000777654154	AE	On-Demand	Mild	EPHX2	25	53
C=C(C)CNC(=O)NCCCCCC	ZINC000777654154	AE	On-Demand	Mild	ASAH1	86	35
C=C(C)CNC(=O)NCCCCCC	ZINC000777654154	AE	On-Demand	Mild	CQSS	48	30
C=C(C)CNC(=O)N[C@H](C)CCCCCC	ZINC000777654603	BG	On-Demand	Mild	NOD1	56	36
C=C(C)CNC(=O)N[C@H](C)CCCCCC	ZINC000777654603	BG	On-Demand	Mild	CQSS	51	33
C=C(C)CNC(=O)N[C@@H](C)CCCCCC	ZINC000777654604	BG	On-Demand	Mild	NOD1	56	36
C=C(C)CNC(=O)N[C@@H](C)CCCCCC	ZINC000777654604	BG	On-Demand	Mild	CQSS	51	33
C=C(C)CNC(=O)NCCCCCCCC	ZINC000777660916	BG	On-Demand	Mild	EPHX2	25	53
C=C(C)CNC(=O)NCCCCCCCC	ZINC000777660916	BG	On-Demand	Mild	ASAH1	86	35
C=C(C)CNC(=O)NCCCCCCCC	ZINC000777660916	BG	On-Demand	Mild	CQSS	48	30
CCCCC[C@@H](C)NC(=O)CN(C)CCNC(=O)N(C)C	ZINC000777717490	DD	On-Demand	Anodyne	NOD1	49	32
CCCCCS(=O)(=O)CC(=O)NNC(=O)CO	ZINC000777781351	CA	On-Demand	Reactive	CES2	16	49
CCCCCS(=O)(=O)CC(=O)NNC(=O)CO	ZINC000777781351	CA	On-Demand	Reactive	EST1_PIG	29	49
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	KLK3	63	38
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	PAPA1_CARPA	50	37
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	CTSK	30	47
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	CTSL	23	42
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	CAPNS1	59	37
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	CAPN1	84	55
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	CAPN2	102	39
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	FPR1	46	34
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782112	CA	On-Demand	Reactive	NPR	67	36
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	KLK3	63	38
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	PAPA1_CARPA	50	37
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	CTSK	30	47
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	CTSL	23	42
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	CAPNS1	59	37
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	CAPN1	84	55
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	CAPN2	102	39
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	FPR1	46	34
COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)CO	ZINC000777782113	CA	On-Demand	Reactive	NPR	67	36
CCCCCNC(=O)CC(C)(C)COC(C)=O	ZINC000777786662	BE	On-Demand	Anodyne	ASAH1	52	35
CCCCC[C@@H](C)NC(=O)CC(C)(C)COC(C)=O	ZINC000777791138	CG	On-Demand	Anodyne	NOD1	70	35
CCCCCS(=O)(=O)OCC(F)(F)F	ZINC000777815982	BE	On-Demand	Mild	CES2	29	41
CCCCCS(=O)(=O)OCC(F)(F)F	ZINC000777815982	BE	On-Demand	Mild	CES1	36	41
CCCCCS(=O)(=O)OCC(F)(F)F	ZINC000777815982	BE	On-Demand	Mild	EST1_PIG	37	41
CCCCCS(=O)(=O)OCC(F)(F)F	ZINC000777815982	BE	On-Demand	Mild	CES2C	30	41
CCCCCNS(=O)(=O)CC(C)(C)C#N	ZINC000777816470	BD	On-Demand	Mild	RELA	17	40
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	KLK3	104	48
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	CTSB	50	47
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	PAPA1_CARPA	62	37
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	CTSK	30	47
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	PGA	33	40
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	HLA-A	49	39
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	CAPNS1	69	47
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	HLA-DRB1	66	37
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	CAPN1	108	59
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	CAPN2	145	44
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	POLG_HCV1	28	40
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	LAP3	22	40
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	FPR1	71	39
COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818525	CB	On-Demand	Anodyne	NPR	80	49
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	KLK3	104	48
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	CTSB	50	47
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	PAPA1_CARPA	62	37
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	CTSK	30	47
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	PGA	33	40
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	HLA-A	49	39
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	CAPNS1	69	47
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	HLA-DRB1	66	37
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	CAPN1	108	59
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	CAPN2	145	44
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	POLG_HCV1	28	40
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	LAP3	22	40
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	FPR1	71	39
COC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CO)C(=O)OC	ZINC000777818526	CB	On-Demand	Anodyne	NPR	80	49
CCCCCS(=O)(=O)NCCCN(C)C(=O)OC(C)(C)C	ZINC000777818679	DE	On-Demand	Anodyne	RELA	18	41
CCOC(=O)NCCC(=O)N[C@H](CO)C(=O)OC	ZINC000777820184	CA	On-Demand	Anodyne	NOD1	46	32
CC/C=C(/C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC	ZINC000777821283	CD	On-Demand	Anodyne	CAPN2	59	33
CC/C=C(/C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC	ZINC000777821283	CD	On-Demand	Anodyne	NPR	15	40
CC/C=C(/C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC	ZINC000777821283	CD	On-Demand	Anodyne	F2RL1	49	33
C=CCN(C)C(=O)CCCCCCC	ZINC000777839920	AF	On-Demand	Mild	FABP5	15	42
C=CCN(C)C(=O)CCCCCCC	ZINC000777839920	AF	On-Demand	Mild	CQSS	60	37
C=CCN(C)C(=O)[C@H](C)CCCCCC	ZINC000777839980	BG	On-Demand	Mild	NOD1	74	39
C=CCN(C)C(=O)[C@H](C)CCCCCC	ZINC000777839980	BG	On-Demand	Mild	CQSS	51	33
C=CCN(C)C(=O)[C@@H](C)CCCCCC	ZINC000777839990	BG	On-Demand	Mild	NOD1	74	39
C=CCN(C)C(=O)[C@@H](C)CCCCCC	ZINC000777839990	BG	On-Demand	Mild	CQSS	51	33
C=CCN(C)C(=O)[C@H](CC)CCCCC	ZINC000777840080	BG	On-Demand	Mild	PDF	43	36
C=CCN(C)C(=O)[C@@H](CC)CCCCC	ZINC000777840081	BG	On-Demand	Mild	PDF	43	36
C=CCN(C)C(=O)CCCCCCCCC	ZINC000777841210	BH	On-Demand	Mild	FABP5	15	42
C=CCN(C)C(=O)CCCCCCCCC	ZINC000777841210	BH	On-Demand	Mild	CQSS	60	37
C=CCN(C)C(=O)[C@H](CC)CCCCCC	ZINC000777842927	BH	On-Demand	Mild	CQSS	52	32
C=CCN(C)C(=O)[C@@H](CC)CCCCCC	ZINC000777842928	BH	On-Demand	Mild	CQSS	52	32
C=CCN(C)C(=O)COCCCCCC	ZINC000777843092	BE	On-Demand	Mild	PLA2G4B	40	35
C=CCN(C)C(=O)CCCCCCCC	ZINC000777843631	BG	On-Demand	Mild	FABP5	15	42
C=CCN(C)C(=O)CCCCCCCC	ZINC000777843631	BG	On-Demand	Mild	CQSS	60	37
COC(=O)N[C@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777863201	FD	On-Demand	Anodyne	CTSD	20	42
COC(=O)N[C@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777863201	FD	On-Demand	Anodyne	PGA	17	42
COC(=O)N[C@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777863201	FD	On-Demand	Anodyne	PGA5	33	43
COC(=O)N[C@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777863201	FD	On-Demand	Anodyne	POLG_HCV1	21	43
CC(=O)N[C@@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777863342	FD	On-Demand	Anodyne	POLG_HCV1	17	40
CCC[C@@H](NC(N)=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000777864984	FD	On-Demand	Anodyne	PAPA1_CARPA	35	53
CCC[C@@H](NC(N)=O)C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C	ZINC000777864984	FD	On-Demand	Anodyne	CTSK	15	41
COC(=O)N[C@@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777867475	FD	On-Demand	Anodyne	CTSD	20	42
COC(=O)N[C@@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777867475	FD	On-Demand	Anodyne	PGA	17	42
COC(=O)N[C@@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777867475	FD	On-Demand	Anodyne	PGA5	33	43
COC(=O)N[C@@H](C(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)C(C)C	ZINC000777867475	FD	On-Demand	Anodyne	POLG_HCV1	21	43
COC[C@H](C)NC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000777874931	DD	On-Demand	Anodyne	CTSK	15	45
COC[C@H](C)NC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000777874943	DD	On-Demand	Anodyne	CTSK	15	45
CCCCCNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876296	DF	On-Demand	Anodyne	PAPA1_CARPA	33	40
CCCCCNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876296	DF	On-Demand	Anodyne	CTSK	23	49
CCCCCNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876296	DF	On-Demand	Anodyne	PGA5	24	42
CCCCCNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876297	DF	On-Demand	Anodyne	PAPA1_CARPA	33	40
CCCCCNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876297	DF	On-Demand	Anodyne	CTSK	23	49
CCCCCNC(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C	ZINC000777876297	DF	On-Demand	Anodyne	PGA5	24	42
CCCCNC(=O)NNC(=O)[C@@H](C)CCCOC	ZINC000777975027	CD	On-Demand	Reactive	NOD1	67	36
CCCCNC(=O)NNC(=O)[C@H](C)CCCOC	ZINC000777975034	CD	On-Demand	Reactive	NOD1	67	36
CC[C@@H](C)CCCCC(=O)NOCCC(F)(F)F	ZINC000777975720	CH	On-Demand	Anodyne	NOD1	40	31
CCCC[C@@H](NC(=O)NCC)C(=O)NOCCC(F)(F)F	ZINC000777976133	DD	On-Demand	Anodyne	NOD1	53	31
CCCC[C@H](NC(=O)NCC)C(=O)NOCCC(F)(F)F	ZINC000777976134	DD	On-Demand	Anodyne	NOD1	53	31