CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000774031332	FD	On-Demand	Anodyne	PAPA1_CARPA	33	40
CCOC(=O)[C@@](C)(O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000774031332	FD	On-Demand	Anodyne	ECE1	22	47
CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000774031337	FD	On-Demand	Anodyne	PAPA1_CARPA	33	40
CCOC(=O)[C@](C)(O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C	ZINC000774031337	FD	On-Demand	Anodyne	ECE1	22	47
C=CCNC(=O)[C@@H](C#N)C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774053029	DD	On-Demand	Mild	PAPA1_CARPA	36	41
C=CCNC(=O)[C@@H](C#N)C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774053029	DD	On-Demand	Mild	CTSK	16	41
C=CCNC(=O)[C@H](C#N)C(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774053056	DD	On-Demand	Mild	PAPA1_CARPA	36	41
C=CCNC(=O)[C@H](C#N)C(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774053056	DD	On-Demand	Mild	CTSK	16	41
C=CCNC(=O)[C@@H](C#N)C(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774053059	DD	On-Demand	Mild	PAPA1_CARPA	36	41
C=CCNC(=O)[C@@H](C#N)C(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774053059	DD	On-Demand	Mild	CTSK	16	41
C=CCNC(=O)[C@H](C#N)C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774053063	DD	On-Demand	Mild	PAPA1_CARPA	36	41
C=CCNC(=O)[C@H](C#N)C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774053063	DD	On-Demand	Mild	CTSK	16	41
CC(=O)CCCCCCC(=O)NS(=O)(=O)N(C)C(C)C	ZINC000774070941	DD	On-Demand	Anodyne	PAOX	43	41
CCC(CC)S(=O)(=O)NC(=O)CCCCCCC(C)=O	ZINC000774084893	DF	On-Demand	Anodyne	PAOX	42	36
CCC(CC)S(=O)(=O)NC(=O)CCCCCCC(C)=O	ZINC000774084893	DF	On-Demand	Anodyne	CQSS	41	33
CC(=O)CCCCCCC(=O)NS(=O)(=O)CC(C)(C)C	ZINC000774086118	DE	On-Demand	Anodyne	PAOX	41	36
CCC(CC)S(=O)(=O)NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774094243	FE	On-Demand	Anodyne	CTSK	17	44
CCC(CC)S(=O)(=O)NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774094245	FE	On-Demand	Anodyne	CTSK	17	44
CCC(CC)CS(=O)(=O)NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774096354	FF	On-Demand	Anodyne	CTSK	16	43
CCC(CC)CS(=O)(=O)NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774096360	FF	On-Demand	Anodyne	CTSK	16	43
CC(=O)CCCCCCC(=O)OCCF	ZINC000774105073	BE	On-Demand	Anodyne	PAOX	45	44
CC(=O)CCCCCCC(=O)NS(=O)(=O)CC(F)(F)F	ZINC000774116090	DD	On-Demand	Anodyne	PAOX	40	35
C/C(=C\C(C)(C)C)C(=O)OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774135843	CG	On-Demand	Anodyne	CTSK	17	44
C/C(=C/C(C)(C)C)C(=O)OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774135844	CG	On-Demand	Anodyne	CTSK	17	44
C/C(=C/C(C)(C)C)C(=O)OC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774135845	CG	On-Demand	Anodyne	CTSK	17	44
C/C(=C\C(C)(C)C)C(=O)OC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774135846	CG	On-Demand	Anodyne	CTSK	17	44
CCCCC[C@@H](C)NC(=S)NC(C)(C)CC	ZINC000774138798	BH	On-Demand	Anodyne	NOD1	49	32
CCCN(C)S(=O)(=O)NC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774142677	FD	On-Demand	Anodyne	CTSK	17	46
CCCN(C)S(=O)(=O)NC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774142680	FD	On-Demand	Anodyne	CTSK	17	46
CCCCCCCCCNC(=O)N(C)C[C@@H](C)O	ZINC000774146811	CF	On-Demand	Mild	ASAH1	84	33
CCCCCCCCCNC(=O)N(C)C[C@@H](C)O	ZINC000774146811	CF	On-Demand	Mild	CQSS	57	39
CCCCCCCCCNC(=O)N(C)C[C@H](C)O	ZINC000774146818	CF	On-Demand	Mild	ASAH1	84	33
CCCCCCCCCNC(=O)N(C)C[C@H](C)O	ZINC000774146818	CF	On-Demand	Mild	CQSS	57	39
CCCC[C@@H](C)OC(=O)CCC(=O)OC(C)(C)C	ZINC000774152301	CG	On-Demand	Anodyne	CQSS	40	31
CCCC[C@H](C)OC(=O)CCC(=O)OC(C)(C)C	ZINC000774152303	CG	On-Demand	Anodyne	CQSS	40	31
CCCN(C)S(=O)(=O)NC(=O)CCCCCCC(C)=O	ZINC000774172853	DD	On-Demand	Anodyne	PAOX	43	41
C=C(C)[C@H](C)OC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774197037	CG	On-Demand	Mild	CTSK	17	44
C=C(C)[C@@H](C)OC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774197039	CG	On-Demand	Mild	CTSK	17	44
C=C(C)[C@H](C)OC(=O)CC[C@H](C)NC(=O)OC(C)(C)C	ZINC000774197041	CG	On-Demand	Mild	CTSK	17	44
C=C(C)[C@@H](C)OC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774197043	CG	On-Demand	Mild	CTSK	17	44
CCCCCCCCNC(=O)N(C)C[C@@H](C)O	ZINC000774261058	BE	On-Demand	Mild	ASAH1	84	33
CCCCCCCCNC(=O)N(C)C[C@@H](C)O	ZINC000774261058	BE	On-Demand	Mild	CQSS	57	39
CCCCCCCCNC(=O)N(C)C[C@H](C)O	ZINC000774261059	BE	On-Demand	Mild	ASAH1	84	33
CCCCCCCCNC(=O)N(C)C[C@H](C)O	ZINC000774261059	BE	On-Demand	Mild	CQSS	57	39
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	CES2	50	42
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	CES1	38	42
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	EST1_PIG	68	42
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	CES2C	57	34
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	NOD1	94	47
CCCCCCCC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F	ZINC000774272107	CG	On-Demand	Mild	CQSS	63	42
CCCCCCCC(=O)NCCCSC#N	ZINC000774298560	BG	On-Demand	Reactive	ASAH1	46	31
CCCCCCCC(=O)NCCCSC#N	ZINC000774298560	BG	On-Demand	Reactive	NOD1	55	41
CCCCCCCC(=O)NCCCSC#N	ZINC000774298560	BG	On-Demand	Reactive	CQSS	53	33
CC(=O)CCCCCCC(=O)O[C@@H](C)C(Cl)(Cl)Cl	ZINC000774302574	DI	On-Demand	Anodyne	PAOX	40	37
CC(=O)CCCCCCC(=O)O[C@H](C)C(Cl)(Cl)Cl	ZINC000774302580	DI	On-Demand	Anodyne	PAOX	40	37
CC(=O)CCCCCCC(=O)NS(=O)(=O)CC(N)=O	ZINC000774370036	CB	On-Demand	Anodyne	PAOX	43	39
C=C(C)[C@@H](C)OC(=O)CCCCCCC(C)=O	ZINC000774389094	BG	On-Demand	Mild	PAOX	41	38
C=C(C)[C@H](C)OC(=O)CCCCCCC(C)=O	ZINC000774389238	BG	On-Demand	Mild	PAOX	41	38
CCC(CC)CNN=C(C)C[C@@H](C)NC(=O)OC(C)(C)C	ZINC000774475787	CH	On-Demand	Mild	CTSK	15	43
CCC(CC)CNN=C(C)C[C@H](C)NC(=O)OC(C)(C)C	ZINC000774475788	CH	On-Demand	Mild	CTSK	15	43
CCCCC[C@@H](C)NC(=O)C(=O)NCCC(C)C	ZINC000774493602	CE	On-Demand	Anodyne	NOD1	74	37
C=CCN(C(=O)C(=O)NCCCCCC)C(C)C	ZINC000774496498	CE	On-Demand	Mild	ASAH1	53	31