C[C@@H](CC(=O)N(CCO)CC(F)F)NC(=O)OC(C)(C)C	ZINC000794054627	DD	On-Demand	Anodyne	CTSK	15	40
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057522	EE	On-Demand	Anodyne	CTSK	15	43
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057522	EE	On-Demand	Anodyne	ECE1	30	41
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057522	EE	On-Demand	Anodyne	POLG_HCV1	26	45
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057524	EE	On-Demand	Anodyne	CTSK	15	43
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057524	EE	On-Demand	Anodyne	ECE1	30	41
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CC(F)F	ZINC000794057524	EE	On-Demand	Anodyne	POLG_HCV1	26	45
CCCCC[C@@H](C)CC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794132021	CF	On-Demand	Anodyne	NOD1	44	31
COC(=O)[C@@H](C)N(C)C(=O)CCCCCCC(C)=O	ZINC000794132105	CD	On-Demand	Anodyne	PAOX	44	41
CCCCSCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794132186	BD	On-Demand	Anodyne	CES1	17	41
CCCCSCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794132186	BD	On-Demand	Anodyne	EST1_PIG	47	41
CCCCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794132215	CF	On-Demand	Mild	NOD1	87	37
CCCCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794132215	CF	On-Demand	Mild	CQSS	66	43
COC(=O)[C@@H](C)N(C)C(=O)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000794133517	DD	On-Demand	Anodyne	CTSK	15	41
COC(=O)[C@@H](C)N(C)C(=O)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000794133518	DD	On-Demand	Anodyne	CTSK	15	41
COC[C@@H](CO)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000794134206	CC	On-Demand	Anodyne	PAPA1_CARPA	37	41
COC[C@@H](CO)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000794134206	CC	On-Demand	Anodyne	CTSK	15	44
COC[C@@H](CO)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	ZINC000794134206	CC	On-Demand	Anodyne	FPR1	34	44
COC[C@@H](CO)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000794134207	CC	On-Demand	Anodyne	PAPA1_CARPA	37	41
COC[C@@H](CO)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000794134207	CC	On-Demand	Anodyne	CTSK	15	44
COC[C@@H](CO)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	ZINC000794134207	CC	On-Demand	Anodyne	FPR1	34	44
CCCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794134273	BE	On-Demand	Mild	NOD1	87	37
CCCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794134273	BE	On-Demand	Mild	CQSS	66	43
CCCCC[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)OC	ZINC000794135540	CF	On-Demand	Anodyne	NOD1	43	31
COC(=O)[C@@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794136196	FC	On-Demand	Anodyne	PAPA1_CARPA	34	44
COC(=O)[C@@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794136196	FC	On-Demand	Anodyne	PGA	17	40
COC(=O)[C@@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794136196	FC	On-Demand	Anodyne	PGA5	28	42
COC(=O)[C@@H](C)N(C)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794136196	FC	On-Demand	Anodyne	POLG_HCV1	16	40
CCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794136214	BD	On-Demand	Anodyne	NOD1	87	37
CCCCCCC(=O)N(C)[C@H](C)C(=O)OC	ZINC000794136214	BD	On-Demand	Anodyne	CQSS	66	43
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000794141983	DD	On-Demand	Anodyne	PAPA1_CARPA	36	40
COC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794141998	DA	On-Demand	Anodyne	PAPA1_CARPA	39	43
COC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794141998	DA	On-Demand	Anodyne	CCKAR	19	47
COC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794141998	DA	On-Demand	Anodyne	POLG_HCV1	23	40
COC[C@@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794141998	DA	On-Demand	Anodyne	FPR1	44	39
COC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794142001	DA	On-Demand	Anodyne	PAPA1_CARPA	39	43
COC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794142001	DA	On-Demand	Anodyne	CCKAR	19	47
COC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794142001	DA	On-Demand	Anodyne	POLG_HCV1	23	40
COC[C@@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794142001	DA	On-Demand	Anodyne	FPR1	44	39
CCCCC[C@@H](C)CC(=O)N[C@@H](CO)COC	ZINC000794142403	BD	On-Demand	Anodyne	NOD1	59	34
CCCCC[C@@H](C)CC(=O)N[C@H](CO)COC	ZINC000794142406	BD	On-Demand	Anodyne	NOD1	59	34
COC[C@@H](CO)NC(=O)CCCNC(=O)OC(C)(C)C	ZINC000794142534	CC	On-Demand	Anodyne	CTSK	15	47
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794142823	CC	On-Demand	Anodyne	PAPA1_CARPA	41	48
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794142823	CC	On-Demand	Anodyne	CTSK	17	45
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794142823	CC	On-Demand	Anodyne	ECE1	28	40
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794142823	CC	On-Demand	Anodyne	FPR1	45	38
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	KLK3	78	41
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CTSB	36	42
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	PAPA1_CARPA	43	39
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CTSK	31	48
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CTSL	29	43
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CAPNS1	65	38
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	HLA-DRB1	40	34
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CTSS	18	48
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CAPN1	89	56
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	CAPN2	114	40
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	FPR1	71	40
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC	ZINC000794143194	CB	On-Demand	Anodyne	NPR	64	38
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	KLK3	78	41
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CTSB	36	42
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	PAPA1_CARPA	43	39
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CTSK	31	48
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CTSL	29	43
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CAPNS1	65	38
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	HLA-DRB1	40	34
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CTSS	18	48
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CAPN1	89	56
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	CAPN2	114	40
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	FPR1	71	40
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC	ZINC000794143196	CB	On-Demand	Anodyne	NPR	64	38
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CTSD	26	40
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	PGC	23	40
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	KLK3	70	38
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	PAPA1_CARPA	48	51
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CTSK	38	62
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CTSL	28	42
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	PGA	22	42
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CAPNS1	56	35
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	ECE1	36	43
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	HLA-DRB1	25	44
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	REN	45	46
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	REN1	25	42
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CTSS	18	62
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CAPN1	69	50
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	CAPN2	81	37
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	POLG_HCV1	34	50
COC[C@@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143592	DD	On-Demand	Anodyne	FPR1	74	52
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CTSD	26	40
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	PGC	23	40
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	KLK3	70	38
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	PAPA1_CARPA	48	51
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CTSK	38	62
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CTSL	28	42
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	PGA	22	42
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CAPNS1	56	35
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	ECE1	36	43
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	HLA-DRB1	25	44
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	REN	45	46
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	REN1	25	42
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CTSS	18	62
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CAPN1	69	50
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	CAPN2	81	37
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	POLG_HCV1	34	50
COC[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794143594	DD	On-Demand	Anodyne	FPR1	74	52
CCOC(=O)N[C@@H](C(=O)N[C@H](CO)COC)C(C)C	ZINC000794144449	CB	On-Demand	Anodyne	HLA-DRB1	45	41
CCOC(=O)N[C@H](C(=O)N[C@H](CO)COC)C(C)C	ZINC000794144454	CB	On-Demand	Anodyne	HLA-DRB1	45	41
COC[C@@H](CO)NC(=O)CCCCCC(C)C	ZINC000794144990	BD	On-Demand	Anodyne	NMT1	15	43
COC[C@@H](CO)NC(=O)CCCCCC(C)C	ZINC000794144990	BD	On-Demand	Anodyne	NOD1	63	37
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	CTSD	25	42
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	PAPA1_CARPA	36	42
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	CTSK	15	43
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	PGA	34	42
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	PGA5	36	48
COC[C@@H](CO)NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145416	DC	On-Demand	Anodyne	POLG_HCV1	23	48
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	CTSD	25	42
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	PAPA1_CARPA	36	42
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	CTSK	15	43
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	PGA	34	42
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	PGA5	36	48
COC[C@@H](CO)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C	ZINC000794145417	DC	On-Demand	Anodyne	POLG_HCV1	23	48
CCCCC[C@@H](C(=O)N[C@H](CO)COC)C(C)C	ZINC000794145963	CD	On-Demand	Anodyne	NOD1	57	33
CCCCC[C@@H](C(=O)N[C@@H](CO)COC)C(C)C	ZINC000794145971	CD	On-Demand	Anodyne	NOD1	57	33
COC[C@@H](CO)NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000794146579	DC	On-Demand	Anodyne	CTSK	16	46
COC[C@@H](CO)NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000794146580	DC	On-Demand	Anodyne	CTSK	16	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794146596	DC	On-Demand	Anodyne	PAPA1_CARPA	41	62
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794146596	DC	On-Demand	Anodyne	CTSK	22	46
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794146596	DC	On-Demand	Anodyne	POLG_HCV1	23	43
CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)COC	ZINC000794146596	DC	On-Demand	Anodyne	FPR1	44	37
CCCC[C@@H](NC(N)=O)C(=O)NOCCSC	ZINC000794180130	CC	On-Demand	Anodyne	NOD1	55	34
CCCC[C@H](NC(N)=O)C(=O)NOCCSC	ZINC000794180131	CC	On-Demand	Anodyne	NOD1	55	34
CCCC[C@H](CC)C(=O)NOCC(=O)N(C)C	ZINC000794180584	BD	On-Demand	Anodyne	PDF	48	39
CCCC[C@@H](CC)C(=O)NOCC(=O)N(C)C	ZINC000794180585	BD	On-Demand	Anodyne	PDF	48	39
CCCCSCC(=O)NOCCSC	ZINC000794180971	BD	On-Demand	Anodyne	CES1	17	42
CCCCSCC(=O)NOCCSC	ZINC000794180971	BD	On-Demand	Anodyne	EST1_PIG	49	42
CCCC[C@@H](C)N(C)C(=O)[C@@H](Br)C(C)(C)C	ZINC000794182537	CH	On-Demand	Reactive	PDF	42	39
CCCC[C@@H](C)N(C)C(=O)[C@H](Br)C(C)(C)C	ZINC000794182538	CH	On-Demand	Reactive	PDF	42	39
CCCC[C@H](C)N(C)C(=O)[C@H](Br)C(C)(C)C	ZINC000794182540	CH	On-Demand	Reactive	PDF	42	39
CCCC[C@H](C)N(C)C(=O)[C@@H](Br)C(C)(C)C	ZINC000794182541	CH	On-Demand	Reactive	PDF	42	39
CCCCCS(=O)(=O)CC(=O)NOCCSC	ZINC000794182990	CD	On-Demand	Anodyne	EST1_PIG	24	41
CSCCONC(=O)CCCCCC(C)C	ZINC000794187551	BG	On-Demand	Anodyne	NOD1	51	34
CCCC[C@H](NC(=O)NCC)C(=O)NOCCSC	ZINC000794187707	CD	On-Demand	Anodyne	NOD1	59	32
CCCC[C@@H](NC(=O)NCC)C(=O)NOCCSC	ZINC000794187708	CD	On-Demand	Anodyne	NOD1	59	32
CCCCC[C@@H](C)CC(=O)NOCCSC	ZINC000794188109	BG	On-Demand	Anodyne	NOD1	57	32
CSCCONC(=O)[C@H](C)CC(C)C	ZINC000794189184	BE	On-Demand	Anodyne	CAPNS1	43	32
CSCCONC(=O)[C@H](C)CC(C)C	ZINC000794189184	BE	On-Demand	Anodyne	CAPN1	32	41
CSCCONC(=O)[C@@H](C)CC(C)C	ZINC000794189185	BE	On-Demand	Anodyne	CAPNS1	43	32
CSCCONC(=O)[C@@H](C)CC(C)C	ZINC000794189185	BE	On-Demand	Anodyne	CAPN1	32	41
CSCCONC(=O)CCCC[C@H](C)C(C)=O	ZINC000794190279	CE	On-Demand	Anodyne	NOD1	66	35
CSCCONC(=O)CCCC[C@@H](C)C(C)=O	ZINC000794190280	CE	On-Demand	Anodyne	NOD1	66	35
CSCCONC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000794190294	CD	On-Demand	Anodyne	CTSD	16	44
CSCCONC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000794190294	CD	On-Demand	Anodyne	PGC	37	42
CSCCONC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000794190294	CD	On-Demand	Anodyne	PGA	116	45
CSCCONC(=O)[C@H](NC(=O)CC(C)C)C(C)C	ZINC000794190294	CD	On-Demand	Anodyne	PGA5	21	40
CSCCONC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000794190295	CD	On-Demand	Anodyne	CTSD	16	44
CSCCONC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000794190295	CD	On-Demand	Anodyne	PGC	37	42
CSCCONC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000794190295	CD	On-Demand	Anodyne	PGA	116	45
CSCCONC(=O)[C@@H](NC(=O)CC(C)C)C(C)C	ZINC000794190295	CD	On-Demand	Anodyne	PGA5	21	40
CCCCCCC(=O)NOCCSC	ZINC000794190477	BE	On-Demand	Anodyne	NOD1	69	36
CCCCCCC(=O)NOCCSC	ZINC000794190477	BE	On-Demand	Anodyne	CQSS	57	36
CSCCONC(=O)CCCC(=O)NC(C)C	ZINC000794190553	CD	On-Demand	Anodyne	NOD1	43	30
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	CTSD	21	47
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	PAPA1_CARPA	32	43
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	CTSK	15	45
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	ECE1	41	48
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	ENPEP	55	31
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	PGA5	26	40
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191382	DE	On-Demand	Anodyne	POLG_HCV1	21	44
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	CTSD	21	47
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	PAPA1_CARPA	32	43
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	CTSK	15	45
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	ECE1	41	48
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	ENPEP	55	31
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	PGA5	26	40
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NOCCSC	ZINC000794191383	DE	On-Demand	Anodyne	POLG_HCV1	21	44
CC[C@@H](C)CCCCC(=O)NOCCSC	ZINC000794191529	BG	On-Demand	Anodyne	NOD1	41	32
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	CTSK	22	43
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	CTSL	16	43
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	CAPNS1	60	39
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	HLA-DRB1	54	35
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	CAPN1	69	50
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	CAPN2	82	38
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	FPR1	69	43
COC(=O)N[C@H](CC(C)C)C(=O)NOCCSC	ZINC000794191841	CD	On-Demand	Anodyne	NPR	44	39
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CTSD	30	41
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	PGC	23	41
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	PAPA1_CARPA	43	50
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CTSK	30	54
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CTSL	19	40
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	PGA	22	41
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CAPNS1	56	35
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	HLA-DRB1	47	45
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	REN	39	45
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	REN1	24	42
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CAPN1	50	49
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	CAPN2	54	35
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	POLG_HCV1	26	44
CSCCONC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000794191844	DE	On-Demand	Anodyne	FPR1	83	55
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	HLA-A	24	40
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	CAPNS1	54	33
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	HLA-DRB1	48	34
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	CAPN1	45	54
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	FPR1	41	38
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	Q9NAW4_PLAFA	23	41
CSCCONC(=O)[C@H](CC(C)C)NC(C)=O	ZINC000794192376	CC	On-Demand	Anodyne	HPN	40	30
CCCC[C@@H](C)N(C)C(=O)[C@@H](O)C(C)(C)C	ZINC000794193984	BE	On-Demand	Anodyne	PDF	45	44
CCCC[C@@H](C)N(C)C(=O)[C@@H](O)C(C)(C)C	ZINC000794193984	BE	On-Demand	Anodyne	CQSS	41	33
CCCC[C@@H](C)N(C)C(=O)[C@H](O)C(C)(C)C	ZINC000794193985	BE	On-Demand	Anodyne	PDF	45	44
CCCC[C@@H](C)N(C)C(=O)[C@H](O)C(C)(C)C	ZINC000794193985	BE	On-Demand	Anodyne	CQSS	41	33
CCCC[C@H](C)N(C)C(=O)[C@H](O)C(C)(C)C	ZINC000794193986	BE	On-Demand	Anodyne	PDF	45	44
CCCC[C@H](C)N(C)C(=O)[C@H](O)C(C)(C)C	ZINC000794193986	BE	On-Demand	Anodyne	CQSS	41	33
CCCC[C@H](C)N(C)C(=O)[C@@H](O)C(C)(C)C	ZINC000794193987	BE	On-Demand	Anodyne	PDF	45	44
CCCC[C@H](C)N(C)C(=O)[C@@H](O)C(C)(C)C	ZINC000794193987	BE	On-Demand	Anodyne	CQSS	41	33
CSCCONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794194438	DC	On-Demand	Anodyne	PAPA1_CARPA	37	49
CSCCONC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794194438	DC	On-Demand	Anodyne	FPR1	36	41
CSCCONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794194439	DC	On-Demand	Anodyne	PAPA1_CARPA	37	49
CSCCONC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C	ZINC000794194439	DC	On-Demand	Anodyne	FPR1	36	41
CCCCCCCC(=O)NOCCSC	ZINC000794194893	BF	On-Demand	Mild	NOD1	69	36
CCCCCCCC(=O)NOCCSC	ZINC000794194893	BF	On-Demand	Mild	CQSS	57	36
CCCCC[C@@H](C)CC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794209188	CI	On-Demand	Anodyne	EST1_PIG	50	32
CCCCC[C@@H](C)CC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794209188	CI	On-Demand	Anodyne	CES2C	43	31
CCCCC[C@@H](C)CC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794209193	CI	On-Demand	Anodyne	EST1_PIG	50	32
CCCCC[C@@H](C)CC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794209193	CI	On-Demand	Anodyne	CES2C	43	31
CCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794211164	CH	On-Demand	Anodyne	CES2	54	46
CCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794211164	CH	On-Demand	Anodyne	CES1	55	46
CCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794211164	CH	On-Demand	Anodyne	EST1_PIG	82	46
CCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794211164	CH	On-Demand	Anodyne	CES2C	61	37
CCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794211164	CH	On-Demand	Anodyne	CQSS	63	42
CCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794211170	CH	On-Demand	Anodyne	CES2	54	46
CCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794211170	CH	On-Demand	Anodyne	CES1	55	46
CCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794211170	CH	On-Demand	Anodyne	EST1_PIG	82	46
CCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794211170	CH	On-Demand	Anodyne	CES2C	61	37
CCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794211170	CH	On-Demand	Anodyne	CQSS	63	42
CCCCC[C@@H](CC)C(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794212085	CI	On-Demand	Anodyne	EST1_PIG	50	32
CCCCC[C@@H](CC)C(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794212085	CI	On-Demand	Anodyne	CES2C	43	31
CCCCC[C@@H](CC)C(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794212089	CI	On-Demand	Anodyne	EST1_PIG	50	32
CCCCC[C@@H](CC)C(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794212089	CI	On-Demand	Anodyne	CES2C	43	31
CCCCSCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794212898	CG	On-Demand	Anodyne	CES2	21	48
CCCCSCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794212898	CG	On-Demand	Anodyne	CES1	29	51
CCCCSCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794212898	CG	On-Demand	Anodyne	EST1_PIG	66	51
CCCCSCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794212906	CG	On-Demand	Anodyne	CES2	21	48
CCCCSCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794212906	CG	On-Demand	Anodyne	CES1	29	51
CCCCSCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794212906	CG	On-Demand	Anodyne	EST1_PIG	66	51
CCCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794213592	CI	On-Demand	Mild	CES2	54	46
CCCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794213592	CI	On-Demand	Mild	CES1	55	46
CCCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794213592	CI	On-Demand	Mild	EST1_PIG	82	46
CCCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794213592	CI	On-Demand	Mild	CES2C	61	37
CCCCCCCC(=O)N(CC)[C@H](C)C(F)(F)F	ZINC000794213592	CI	On-Demand	Mild	CQSS	63	42
CCCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794213593	CI	On-Demand	Mild	CES2	54	46
CCCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794213593	CI	On-Demand	Mild	CES1	55	46
CCCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794213593	CI	On-Demand	Mild	EST1_PIG	82	46
CCCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794213593	CI	On-Demand	Mild	CES2C	61	37
CCCCCCCC(=O)N(CC)[C@@H](C)C(F)(F)F	ZINC000794213593	CI	On-Demand	Mild	CQSS	63	42
COCC[C@@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(=O)OC	ZINC000794260505	DC	On-Demand	Anodyne	CASP3	19	52
COCC[C@@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(=O)OC	ZINC000794260505	DC	On-Demand	Anodyne	PGA	60	41
COCC[C@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(=O)OC	ZINC000794260507	DC	On-Demand	Anodyne	CASP3	19	52
COCC[C@H](NC(=O)[C@H](NC(=O)OC)C(C)C)C(=O)OC	ZINC000794260507	DC	On-Demand	Anodyne	PGA	60	41
CN(CC#N)C[C@@H](O)CCNC(=O)OC(C)(C)C	ZINC000794337033	CC	On-Demand	Mild	PAPA1_CARPA	30	41
CN(CC#N)C[C@H](O)CCNC(=O)OC(C)(C)C	ZINC000794337034	CC	On-Demand	Mild	PAPA1_CARPA	30	41
C[C@@H](CC#N)N(C)C[C@H](O)CCNC(=O)OC(C)(C)C	ZINC000794397863	CD	On-Demand	Mild	PAPA1_CARPA	29	42
C[C@@H](CC#N)N(C)C[C@@H](O)CCNC(=O)OC(C)(C)C	ZINC000794397864	CD	On-Demand	Mild	PAPA1_CARPA	29	42
CC[C@H](C)N(C)C[C@H](O)CCNC(=O)OC(C)(C)C	ZINC000794414891	CD	On-Demand	Anodyne	ECE1	20	40
CC[C@H](C)N(C)C[C@@H](O)CCNC(=O)OC(C)(C)C	ZINC000794414894	CD	On-Demand	Anodyne	ECE1	20	40
CCCC[C@@H](SCC(F)(F)C(F)F)C(=O)OC	ZINC000794448608	CG	On-Demand	Anodyne	EST1_PIG	42	30
CCCC[C@H](SCC(F)(F)C(F)F)C(=O)OC	ZINC000794448612	CG	On-Demand	Anodyne	EST1_PIG	42	30
CCCC[C@@H](S[C@H](C)C(=O)NNC(=O)CC)C(=O)OC	ZINC000794451377	DD	On-Demand	Reactive	NOD1	52	31
CCCC[C@H](S[C@@H](C)C(=O)NNC(=O)CC)C(=O)OC	ZINC000794451378	DD	On-Demand	Reactive	NOD1	52	31
CCCC[C@@H](S[C@@H](C)C(=O)NNC(=O)CC)C(=O)OC	ZINC000794451382	DD	On-Demand	Reactive	NOD1	52	31
CCCC[C@H](S[C@H](C)C(=O)NNC(=O)CC)C(=O)OC	ZINC000794451385	DD	On-Demand	Reactive	NOD1	52	31
CNC(=O)[C@@H](NC[C@H](O)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000794462550	DC	On-Demand	Anodyne	PGA	19	41
CNC(=O)[C@@H](NC[C@@H](O)CCNC(=O)OC(C)(C)C)C(C)C	ZINC000794462555	DC	On-Demand	Anodyne	PGA	19	41
CCC[C@@H](CC)SCCNC(=O)OC(C)(C)C	ZINC000794478955	CH	On-Demand	Anodyne	CTSK	17	44
CCC[C@H](CC)SCCNC(=O)OC(C)(C)C	ZINC000794478956	CH	On-Demand	Anodyne	CTSK	17	44
CCCNC(=S)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794484768	EF	On-Demand	Mild	CTSK	15	49
CCCNC(=S)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794484769	EF	On-Demand	Mild	CTSK	15	49
CCC[C@@H](CC)SCCCNC(=O)C(F)(F)F	ZINC000794485871	CG	On-Demand	Anodyne	EST1_PIG	49	36
CCC[C@H](CC)SCCCNC(=O)C(F)(F)F	ZINC000794485873	CG	On-Demand	Anodyne	EST1_PIG	49	36
CCCNN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794494606	CF	On-Demand	Mild	CTSK	17	40
CCCNN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794494607	CF	On-Demand	Mild	CTSK	17	40
CC[C@@H](C)C(=O)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794494766	DF	On-Demand	Reactive	CTSK	16	43
CC[C@@H](C)C(=O)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794494767	DF	On-Demand	Reactive	CTSK	16	43
CCCCNC(=O)NN=C[C@@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794498469	EF	On-Demand	Reactive	CTSK	17	54
CCCCNC(=O)NN=C[C@H](CNC(=O)OC(C)(C)C)C(C)C	ZINC000794498472	EF	On-Demand	Reactive	CTSK	17	54